Quantifying the Benthic Source of Nutrients to the Water Column of Upper Klamath Lake, Oregon

USGS Publications Warehouse

Kuwabara, James S.; Lynch, Dennis D.; Topping, Brent R.; Murphy, Fred; Carter, James L.; Simon, Nancy S.; Parcheso, Francis; Wood, Tamara M.; Lindenberg, Mary K.; Wiese, Katryn; Avanzino, Ronald J.

2007-01-01

Executive Summary Five sampling trips were coordinated in April, May and August 2006, and May and July 2007 to sample the water column and benthos of Upper Klamath Lake, OR (Fig. 1; Table 1), before, during and after the annual cyanophyte bloom of Aphanizomenon flos-aquae (AFA). A pore-water profiler was designed and fabricated to obtain the first high-resolution (centimeter-scale) estimates of the vertical concentration gradients for diffusive-flux determinations. Estimates based on molecular diffusion may underestimate benthic flux because solute transport across the sediment-water interface can be enhanced by processes including bioturbation, bioirrigation and ground-water advection. Water-column and benthic samples were also collected to help interpret spatial and temporal trends in diffusive-flux estimates. Data from these samples complement geochemical analyses of bottom-sediments taken from Upper Klamath Lake (UKL) in 2005. This ongoing study provides information necessary for developing process-interdependent solute-transport models for the watershed (that is, models integrating physical, geochemical and biological processes), and supports efforts to evaluate remediation or load-allocation strategies. To augment studies funded by the U.S. Bureau of Reclamation (USBR), the Department of Interior supported an additional full deployment of pore-water profilers in July 2007, during the summer AFA bloom. Results from this recent field trip are not fully completed. Data not presented herein will be included in a subsequent publication, scheduled for March 2009.

Scaling oxygen microprofiles at the sediment interface of deep stratified waters

NASA Astrophysics Data System (ADS)

Schwefel, Robert; Hondzo, Miki; Wüest, Alfred; Bouffard, Damien

2017-02-01

Dissolved oxygen microprofiles at the sediment-water interface of Lake Geneva were measured concurrently with velocities 0.25 to 2 m above the sediment. The measurements and scaling analyses indicate dissolved oxygen fluctuations and turbulent fluxes in exceedance of molecular diffusion in the proximity of the sediment-water interface. The measurements allowed the parameterization of the turbulent diffusion as a function of the dimensionless height above the sediment and the turbulence above the sediment-water interface. Turbulent diffusion depended strongly on the friction velocity and differed from formulations reported in the literature that are based on concepts of turbulent and developed wall-bounded flows. The dissolved oxygen microprofiles and proposed parameterization of turbulent diffusion enable a foundation for the similarity scaling of oxygen microprofiles in proximity to the sediment. The proposed scaling allows the estimation of diffusive boundary layer thickness, oxygen flux, and oxygen microprofile distribution in the near-sediment boundary layer.

Diffusion coefficient and shear viscosity of rigid water models.

PubMed

Tazi, Sami; Boţan, Alexandru; Salanne, Mathieu; Marry, Virginie; Turq, Pierre; Rotenberg, Benjamin

2012-07-18

We report the diffusion coefficient and viscosity of popular rigid water models: two non-polarizable ones (SPC/E with three sites, and TIP4P/2005 with four sites) and a polarizable one (Dang-Chang, four sites). We exploit the dependence of the diffusion coefficient on the system size (Yeh and Hummer 2004 J. Phys. Chem. B 108 15873) to obtain the size-independent value. This also provides an estimate of the viscosity of all water models, which we compare to the Green-Kubo result. In all cases, a good agreement is found. The TIP4P/2005 model is in better agreement with the experimental data for both diffusion and viscosity. The SPC/E and Dang-Chang models overestimate the diffusion coefficient and underestimate the viscosity.

Position-Dependent Diffusion Tensors in Anisotropic Media from Simulation: Oxygen Transport in and through Membranes.

PubMed

Ghysels, An; Venable, Richard M; Pastor, Richard W; Hummer, Gerhard

2017-06-13

A Bayesian-based methodology is developed to estimate diffusion tensors from molecular dynamics simulations of permeants in anisotropic media, and is applied to oxygen in lipid bilayers. By a separation of variables in the Smoluchowski diffusion equation, the multidimensional diffusion is reduced to coupled one-dimensional diffusion problems that are treated by discretization. The resulting diffusivity profiles characterize the membrane transport dynamics as a function of the position across the membrane, discriminating between diffusion normal and parallel to the membrane. The methodology is first validated with neat water, neat hexadecane, and a hexadecane slab surrounded by water, the latter being a simple model for a lipid membrane. Next, a bilayer consisting of pure 1-palmitoyl 2-oleoylphosphatidylcholine (POPC), and a bilayer mimicking the lipid composition of the inner mitochondrial membrane, including cardiolipin, are investigated. We analyze the detailed time evolution of oxygen molecules, in terms of both normal diffusion through and radial diffusion inside the membrane. Diffusion is fast in the more loosely packed interleaflet region, and anisotropic, with oxygen spreading more rapidly in the membrane plane than normal to it. Visualization of the propagator shows that oxygen enters the membrane rapidly, reaching its thermodynamically favored center in about 1 ns, despite the free energy barrier at the headgroup region. Oxygen transport is quantified by computing the oxygen permeability of the membranes and the average radial diffusivity, which confirm the anisotropy of the diffusion. The position-dependent diffusion constants and free energies are used to construct compartmental models and test assumptions used in estimating permeability, including Overton's rule. In particular, a hexadecane slab surrounded by water is found to be a poor model of oxygen transport in membranes because the relevant energy barriers differ substantially.

Comparison of experimental methods for estimating matrix diffusion coefficients for contaminant transport modeling

DOE PAGES

Telfeyan, Katherine Christina; Ware, Stuart Doug; Reimus, Paul William; ...

2018-01-31

Here, diffusion cell and diffusion wafer experiments were conducted to compare methods for estimating effective matrix diffusion coefficients in rock core samples from Pahute Mesa at the Nevada Nuclear Security Site (NNSS). A diffusion wafer method, in which a solute diffuses out of a rock matrix that is pre-saturated with water containing the solute, is presented as a simpler alternative to the traditional through-diffusion (diffusion cell) method. Both methods yielded estimates of effective matrix diffusion coefficients that were within the range of values previously reported for NNSS volcanic rocks. The difference between the estimates of the two methods ranged frommore » 14 to 30%, and there was no systematic high or low bias of one method relative to the other. From a transport modeling perspective, these differences are relatively minor when one considers that other variables (e.g., fracture apertures, fracture spacings) influence matrix diffusion to a greater degree and tend to have greater uncertainty than effective matrix diffusion coefficients. For the same relative random errors in concentration measurements, the diffusion cell method yields effective matrix diffusion coefficient estimates that have less uncertainty than the wafer method. However, the wafer method is easier and less costly to implement and yields estimates more quickly, thus allowing a greater number of samples to be analyzed for the same cost and time. Given the relatively good agreement between the methods, and the lack of any apparent bias between the methods, the diffusion wafer method appears to offer advantages over the diffusion cell method if better statistical representation of a given set of rock samples is desired.« less

Comparison of experimental methods for estimating matrix diffusion coefficients for contaminant transport modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Telfeyan, Katherine Christina; Ware, Stuart Doug; Reimus, Paul William

Here, diffusion cell and diffusion wafer experiments were conducted to compare methods for estimating effective matrix diffusion coefficients in rock core samples from Pahute Mesa at the Nevada Nuclear Security Site (NNSS). A diffusion wafer method, in which a solute diffuses out of a rock matrix that is pre-saturated with water containing the solute, is presented as a simpler alternative to the traditional through-diffusion (diffusion cell) method. Both methods yielded estimates of effective matrix diffusion coefficients that were within the range of values previously reported for NNSS volcanic rocks. The difference between the estimates of the two methods ranged frommore » 14 to 30%, and there was no systematic high or low bias of one method relative to the other. From a transport modeling perspective, these differences are relatively minor when one considers that other variables (e.g., fracture apertures, fracture spacings) influence matrix diffusion to a greater degree and tend to have greater uncertainty than effective matrix diffusion coefficients. For the same relative random errors in concentration measurements, the diffusion cell method yields effective matrix diffusion coefficient estimates that have less uncertainty than the wafer method. However, the wafer method is easier and less costly to implement and yields estimates more quickly, thus allowing a greater number of samples to be analyzed for the same cost and time. Given the relatively good agreement between the methods, and the lack of any apparent bias between the methods, the diffusion wafer method appears to offer advantages over the diffusion cell method if better statistical representation of a given set of rock samples is desired.« less

Estimation of CO2 diffusion coefficient at 0-10 cm depth in undisturbed and tilled soils

USDA-ARS?s Scientific Manuscript database

Diffusion coefficients (D) of CO2 at 0 – 10 cm layers in undisturbed and tilled soil conditions were estimated using Penman, Millington-Quirk, Ridgwell et al. (1999), Troeh et al., and Moldrup et al. models. Soil bulk density and volumetric soil water content ('v) at 0 – 10 cm were measured on April...

Glucose diffusion in colorectal mucosa—a comparative study between normal and cancer tissues

NASA Astrophysics Data System (ADS)

Carvalho, Sónia; Gueiral, Nuno; Nogueira, Elisabete; Henrique, Rui; Oliveira, Luís; Tuchin, Valery V.

2017-09-01

Colorectal carcinoma is a major health concern worldwide and its high incidence and mortality require accurate screening methods. Following endoscopic examination, polyps must be removed for histopathological characterization. Aiming to contribute to the improvement of current endoscopy methods of colorectal carcinoma screening or even for future development of laser treatment procedures, we studied the diffusion properties of glucose and water in colorectal healthy and pathological mucosa. These parameters characterize the tissue dehydration and the refractive index matching mechanisms of optical clearing (OC). We used ex vivo tissues to measure the collimated transmittance spectra and thickness during treatments with OC solutions containing glucose in different concentrations. These time dependencies allowed for estimating the diffusion time and diffusion coefficient values of glucose and water in both types of tissues. The measured diffusion times for glucose in healthy and pathological mucosa samples were 299.2±4.7 s and 320.6±10.6 s for 40% and 35% glucose concentrations, respectively. Such a difference indicates a slower glucose diffusion in cancer tissues, which originate from their ability to trap far more glucose than healthy tissues. We have also found a higher free water content in cancerous tissue that is estimated as 64.4% instead of 59.4% for healthy mucosa.

Study of Water Absorption in Raffia vinifera Fibres from Bandjoun, Cameroon

PubMed Central

Sikame Tagne, N. R.; Njeugna, E.; Fogue, M.; Drean, J.-Y.; Nzeukou, A.; Fokwa, D.

2014-01-01

The study is focused on the water diffusion phenomenon through the Raffia vinifera fibre from the stem. The knowledge on the behavior of those fibres in presence of liquid during the realization of biocomposite, is necessary. The parameters like percentage of water gain at the point of saturation, modelling of the kinetic of water absorption, and the effective diffusion coefficient were the main objectives. Along a stem of raffia, twelve zones of sampling were defined. From Fick's 2nd law of diffusion, a new model was proposed and evaluated compared to four other models at a constant temperature of 23°C. From the proposed model, the effective diffusion coefficient was deduced. The percentage of water gain was in the range of 303–662%. The proposed model fitted better to the experimental data. The estimated diffusion coefficient was evaluated during the initial phase and at the final phase. In any cross section located along the stem of Raffia vinifera, it was found that the effective diffusion coefficient increases from the periphery to the centre during the initial and final phases. PMID:24592199

Assessing the potential of quartz crystal microbalance to estimate water vapor transfer in micrometric size cellulose particles.

PubMed

Thoury-Monbrun, Valentin; Gaucel, Sébastien; Rouessac, Vincent; Guillard, Valérie; Angellier-Coussy, Hélène

2018-06-15

This study aims at assessing the use of a quartz crystal microbalance (QCM) coupled with an adsorption system to measure water vapor transfer properties in micrometric size cellulose particles. This apparatus allows measuring successfully water vapor sorption kinetics at successive relative humidity (RH) steps on a dispersion of individual micrometric size cellulose particles (1 μg) with a total acquisition duration of the order of one hour. Apparent diffusivity and water uptake at equilibrium were estimated at each step of RH by considering two different particle geometries in mass transfer modeling, i.e. sphere or finite cylinder, based on the results obtained from image analysis. Water vapor diffusivity values varied from 2.4 × 10 -14  m 2  s -1 to 4.2 × 10 -12  m 2  s -1 over the tested RH range (0-80%) whatever the model used. A finite cylinder or spherical geometry could be used equally for diffusivity identification for a particle size aspect ratio lower than 2. Copyright © 2018 Elsevier Ltd. All rights reserved.

Polarization impacts on the water-leaving radiance retrieval from above-water radiometric measurements.

PubMed

Harmel, Tristan; Gilerson, Alexander; Tonizzo, Alberto; Chowdhary, Jacek; Weidemann, Alan; Arnone, Robert; Ahmed, Sam

2012-12-10

Above-water measurements of water-leaving radiance are widely used for water-quality monitoring and ocean-color satellite data validation. Reflected skylight in above-water radiometry needs to be accurately estimated prior to derivation of water-leaving radiance. Up-to-date methods to estimate reflection of diffuse skylight on rough sea surfaces are based on radiative transfer simulations and sky radiance measurements. But these methods neglect the polarization state of the incident skylight, which is generally highly polarized. In this paper, the effects of polarization on the sea surface reflectance and the subsequent water-leaving radiance estimation are investigated. We show that knowledge of the polarization field of the diffuse skylight significantly improves above-water radiometry estimates, in particular in the blue part of the spectrum where the reflected skylight is dominant. A newly developed algorithm based on radiative transfer simulations including polarization is described. Its application to the standard Aerosol Robotic Network-Ocean Color and hyperspectral radiometric measurements of the 1.5-year dataset acquired at the Long Island Sound site demonstrates the noticeable importance of considering polarization for water-leaving radiance estimation. In particular it is shown, based on time series of collocated data acquired in coastal waters, that the azimuth range of measurements leading to good-quality data is significantly increased, and that these estimates are improved by more than 12% at 413 nm. Full consideration of polarization effects is expected to significantly improve the quality of the field data utilized for satellite data validation or potential vicarious calibration purposes.

Diffusion and mobility of atomic particles in a liquid

NASA Astrophysics Data System (ADS)

Smirnov, B. M.; Son, E. E.; Tereshonok, D. V.

2017-11-01

The diffusion coefficient of a test atom or molecule in a liquid is determined for the mechanism where the displacement of the test molecule results from the vibrations and motion of liquid molecules surrounding the test molecule and of the test particle itself. This leads to a random change in the coordinate of the test molecule, which eventually results in the diffusion motion of the test particle in space. Two models parameters of interaction of a particle and a liquid are used to find the activation energy of the diffusion process under consideration: the gas-kinetic cross section for scattering of test molecules in the parent gas and the Wigner-Seitz radius for test molecules. In the context of this approach, we have calculated the diffusion coefficient of atoms and molecules in water, where based on experimental data, we have constructed the dependence of the activation energy for the diffusion of test molecules in water on the interaction parameter and the temperature dependence for diffusion coefficient of atoms or molecules in water within the models considered. The statistically averaged difference of the activation energies for the diffusion coefficients of different test molecules in water that we have calculated based on each of the presented models does not exceed 10% of the diffusion coefficient itself. We have considered the diffusion of clusters in water and present the dependence of the diffusion coefficient on the cluster size. The accuracy of the presented formulas for the diffusion coefficient of atomic particles in water is estimated to be 50%.

Diffusion coefficients of organic molecules in sucrose-water solutions and comparison with Stokes-Einstein predictions

NASA Astrophysics Data System (ADS)

Chenyakin, Yuri; Ullmann, Dagny A.; Evoy, Erin; Renbaum-Wolff, Lindsay; Kamal, Saeid; Bertram, Allan K.

2017-02-01

The diffusion coefficients of organic species in secondary organic aerosol (SOA) particles are needed to predict the growth and reactivity of these particles in the atmosphere. Previously, viscosity measurements, along with the Stokes-Einstein relation, have been used to estimate the diffusion rates of organics within SOA particles or proxies of SOA particles. To test the Stokes-Einstein relation, we have measured the diffusion coefficients of three fluorescent organic dyes (fluorescein, rhodamine 6G and calcein) within sucrose-water solutions with varying water activity. Sucrose-water solutions were used as a proxy for SOA material found in the atmosphere. Diffusion coefficients were measured using fluorescence recovery after photobleaching. For the three dyes studied, the diffusion coefficients vary by 4-5 orders of magnitude as the water activity varied from 0.38 to 0.80, illustrating the sensitivity of the diffusion coefficients to the water content in the matrix. At the lowest water activity studied (0.38), the average diffusion coefficients were 1.9 × 10-13, 1.5 × 10-14 and 7.7 × 10-14 cm2 s-1 for fluorescein, rhodamine 6G and calcein, respectively. The measured diffusion coefficients were compared with predictions made using literature viscosities and the Stokes-Einstein relation. We found that at water activity ≥ 0.6 (which corresponds to a viscosity of ≤ 360 Pa s and Tg/T ≤ 0.81), predicted diffusion rates agreed with measured diffusion rates within the experimental uncertainty (Tg represents the glass transition temperature and T is the temperature of the measurements). When the water activity was 0.38 (which corresponds to a viscosity of 3.3 × 106 Pa s and a Tg/T of 0.94), the Stokes-Einstein relation underpredicted the diffusion coefficients of fluorescein, rhodamine 6G and calcein by a factor of 118 (minimum of 10 and maximum of 977), a factor of 17 (minimum of 3 and maximum of 104) and a factor of 70 (minimum of 8 and maximum of 494), respectively. This disagreement is significantly smaller than the disagreement observed when comparing measured and predicted diffusion coefficients of water in sucrose-water mixtures.

Diffusive exchange of trace elements between alkaline melts: Implications for element fractionation and timescale estimations during magma mixing

NASA Astrophysics Data System (ADS)

González-Garcia, Diego; Petrelli, Maurizio; Behrens, Harald; Vetere, Francesco; Fischer, Lennart A.; Morgavi, Daniele; Perugini, Diego

2018-07-01

The diffusive exchange of 30 trace elements (Cs, Rb, Ba, Sr, Co, Y, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Ta, V, Cr, Pb, Th, U, Zr, Hf, Sn and Nb) during the interaction of natural mafic and silicic alkaline melts was experimentally studied at conditions relevant to shallow magmatic systems. In detail, a set of 12 diffusion couple experiments have been performed between natural shoshonitic and rhyolitic melts from the Vulcano Island (Aeolian archipelago, Italy) at a temperature of 1200 °C, pressures from 50 to 500 MPa, and water contents ranging from nominally dry to ca. 2 wt.%. Concentration-distance profiles, measured by Laser Ablation ICP-MS, highlight different behaviours, and trace elements were divided into two groups: (1) elements with normal diffusion profiles (13 elements, mainly low field strength and transition elements), and (2) elements showing uphill diffusion (17 elements including Y, Zr, Nb, Pb and rare earth elements, except Eu). For the elements showing normal diffusion profiles, chemical diffusion coefficients were estimated using a concentration-dependent evaluation method, and values are given at four intermediate compositions (SiO2 equal to 58, 62, 66 and 70 wt.%, respectively). A general coupling of diffusion coefficients to silica diffusivity is observed, and variations in systematics are observed between mafic and silicic compositions. Results show that water plays a decisive role on diffusive rates in the studied conditions, producing an enhancement between 0.4 and 0.7 log units per 1 wt.% of added H2O. Particularly notable is the behaviour of the trivalent-only REEs (La to Nd and Gd to Lu), with strong uphill diffusion minima, diminishing from light to heavy REEs. Modelling of REE profiles by a modified effective binary diffusion model indicates that activity gradients induced by the SiO2 concentration contrast are responsible for their development, inducing a transient partitioning of REEs towards the shoshonitic melt. These results indicate that diffusive fractionation of trace elements is possible during magma mixing events, especially in the more silicic melts, and that the presence of water in such events can lead to enhanced chemical diffusive mixing efficiency, affecting also the estimation of mixing to eruption timescales.

Solubility and diffusivity of N{sub 2}O and CO{sub 2} in (diethanolamine + N-methyldiethanolamine + water) and in (diethanolamine + 2-amino-2-methyl-1-propanol + water)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, M.H.; Lee, W.C.

1996-05-01

Acid gases such as CO{sub 2} and H{sub 2}S are frequently removed from natural gas, synthetic natural gas, and other process gas streams by means of absorption into aqueous alkanol-amine solutions. The solubility and diffusivity of N{sub 2}O in (diethanolamine + N-methyldiethanolamine + water) and in (diethanolamine + 2-amino-2-methyl-1-propanol + water) were measured at (30, 35, and 40)C and at atmospheric pressure. Five (diethanolamine + N-methyldiethanolamine + water) and four (diethanolamine + 2-amino-2-methyl-1-propanol + water) systems were studied. The total amine mass percent in all cases was 30. A solubility apparatus was used to measure the solubility of N{sub 2}Omore » in amine solutions. The diffusivity was measured by a wetted wall column absorber. The N{sub 2}O analogy was used to estimate the solubility and diffusivity of CO{sub 2} in (diethanolamine + N-methyldiethanolamine + water) and in (diethanolamine + 2-amino-2-methyl-1-propanol + water).« less

Approximation of effective moisture-diffusion coefficient to characterize performance of a barrier coating

NASA Astrophysics Data System (ADS)

Nagai, Shingo

2013-11-01

We report estimation of the effective diffusion coefficient of moisture through a barrier coating to develop an encapsulation technology for the thin-film electronics industry. This investigation targeted a silicon oxide (SiOx) film that was deposited on a plastic substrate by a large-process-area web coater. Using the finite difference method based on diffusion theory, our estimation of the effective diffusion coefficient of a SiOx film corresponded to that of bulk glass that was previously reported. This result suggested that the low diffusivities of barrier films can be obtained on a mass-production level in the factory. In this investigation, experimental observations and mathematical confirmation revealed the limit of the water vapor transmission rate on the single barrier coating.

Practical estimate of gradient nonlinearity for implementation of apparent diffusion coefficient bias correction.

PubMed

Malkyarenko, Dariya I; Chenevert, Thomas L

2014-12-01

To describe an efficient procedure to empirically characterize gradient nonlinearity and correct for the corresponding apparent diffusion coefficient (ADC) bias on a clinical magnetic resonance imaging (MRI) scanner. Spatial nonlinearity scalars for individual gradient coils along superior and right directions were estimated via diffusion measurements of an isotropicic e-water phantom. Digital nonlinearity model from an independent scanner, described in the literature, was rescaled by system-specific scalars to approximate 3D bias correction maps. Correction efficacy was assessed by comparison to unbiased ADC values measured at isocenter. Empirically estimated nonlinearity scalars were confirmed by geometric distortion measurements of a regular grid phantom. The applied nonlinearity correction for arbitrarily oriented diffusion gradients reduced ADC bias from 20% down to 2% at clinically relevant offsets both for isotropic and anisotropic media. Identical performance was achieved using either corrected diffusion-weighted imaging (DWI) intensities or corrected b-values for each direction in brain and ice-water. Direction-average trace image correction was adequate only for isotropic medium. Empiric scalar adjustment of an independent gradient nonlinearity model adequately described DWI bias for a clinical scanner. Observed efficiency of implemented ADC bias correction quantitatively agreed with previous theoretical predictions and numerical simulations. The described procedure provides an independent benchmark for nonlinearity bias correction of clinical MRI scanners.

Design and validation of diffusion MRI models of white matter

NASA Astrophysics Data System (ADS)

Jelescu, Ileana O.; Budde, Matthew D.

2017-11-01

Diffusion MRI is arguably the method of choice for characterizing white matter microstructure in vivo. Over the typical duration of diffusion encoding, the displacement of water molecules is conveniently on a length scale similar to that of the underlying cellular structures. Moreover, water molecules in white matter are largely compartmentalized which enables biologically-inspired compartmental diffusion models to characterize and quantify the true biological microstructure. A plethora of white matter models have been proposed. However, overparameterization and mathematical fitting complications encourage the introduction of simplifying assumptions that vary between different approaches. These choices impact the quantitative estimation of model parameters with potential detriments to their biological accuracy and promised specificity. First, we review biophysical white matter models in use and recapitulate their underlying assumptions and realms of applicability. Second, we present up-to-date efforts to validate parameters estimated from biophysical models. Simulations and dedicated phantoms are useful in assessing the performance of models when the ground truth is known. However, the biggest challenge remains the validation of the “biological accuracy” of estimated parameters. Complementary techniques such as microscopy of fixed tissue specimens have facilitated direct comparisons of estimates of white matter fiber orientation and densities. However, validation of compartmental diffusivities remains challenging, and complementary MRI-based techniques such as alternative diffusion encodings, compartment-specific contrast agents and metabolites have been used to validate diffusion models. Finally, white matter injury and disease pose additional challenges to modeling, which are also discussed. This review aims to provide an overview of the current state of models and their validation and to stimulate further research in the field to solve the remaining open questions and converge towards consensus.

Design and validation of diffusion MRI models of white matter

PubMed Central

Jelescu, Ileana O.; Budde, Matthew D.

2018-01-01

Diffusion MRI is arguably the method of choice for characterizing white matter microstructure in vivo. Over the typical duration of diffusion encoding, the displacement of water molecules is conveniently on a length scale similar to that of the underlying cellular structures. Moreover, water molecules in white matter are largely compartmentalized which enables biologically-inspired compartmental diffusion models to characterize and quantify the true biological microstructure. A plethora of white matter models have been proposed. However, overparameterization and mathematical fitting complications encourage the introduction of simplifying assumptions that vary between different approaches. These choices impact the quantitative estimation of model parameters with potential detriments to their biological accuracy and promised specificity. First, we review biophysical white matter models in use and recapitulate their underlying assumptions and realms of applicability. Second, we present up-to-date efforts to validate parameters estimated from biophysical models. Simulations and dedicated phantoms are useful in assessing the performance of models when the ground truth is known. However, the biggest challenge remains the validation of the “biological accuracy” of estimated parameters. Complementary techniques such as microscopy of fixed tissue specimens have facilitated direct comparisons of estimates of white matter fiber orientation and densities. However, validation of compartmental diffusivities remains challenging, and complementary MRI-based techniques such as alternative diffusion encodings, compartment-specific contrast agents and metabolites have been used to validate diffusion models. Finally, white matter injury and disease pose additional challenges to modeling, which are also discussed. This review aims to provide an overview of the current state of models and their validation and to stimulate further research in the field to solve the remaining open questions and converge towards consensus. PMID:29755979

Stochastic Spectral Analysis for Characterizing Hydraulic Diffusivity in an Alluvial Fan Aquifer with River Stimulus

NASA Astrophysics Data System (ADS)

Wang, Y. L.; Zha, Y.; Yeh, T. C. J.; Wen, J. C.

2015-12-01

Estimation of subsurface hydraulic diffusivity was carried out to understand the characteristics of Zhuoshui River alluvial fan, Taiwan. The fan, an important agricultural and industrial region with high water demand, is located at middle Taiwan with an area of 1800 km2. The prior geo-investigations suggest that the main recharge region of the fan is at an apex along the river. The distribution of soil hydraulic diffusivity was estimated by fusing naturally recurring stimulus provided by river and groundwater head. Specifically, the variance and power spectrum provided by temporal and spatial change of groundwater head in response to river stage variations are analyzed to estimate hydraulic diffusivity distribution. It is found that the hydraulic diffusivity of the fan is at the range from 0.08 to 16 m2/s. The average hydraulic diffusivity at the apex, middle, and tail of the fan along the river is about 0.4, 0.6, and 1.0 m2/s, respectively.

Experimental dehydration of natural obsidian and estimation of DH2O at low water contents

NASA Technical Reports Server (NTRS)

Jambon, A.; Zhang, Y.; Stolper, E. M.

1992-01-01

Water diffusion experiments were carried out by dehydrating rhyolitic obsidian from Valles Caldera (New Mexico, USA) at 510-980 degrees C. The starting glass wafers contained approximately 0.114 wt% total water, lower than any glasses previously investigated for water diffusion. Weight loss due to dehydration was measured as a function of experiment duration, which permits determination of mean bulk water diffusivity, mean Dw. These diffusivities are in the range of 2.6 to 18 X 10(-14) m2/s and can be fit with the following Arrhenius equation: ln mean Dw (m2/s) = -(25.10 +/- 1.29) - (46,480 +/- 11,400) (J/mol) / RT, except for two replicate runs at 510 degrees C which give mean Dw values much lower than that defined by the above equation. When interpreted according to a model of water speciation in which molecular H2O is the diffusing species with concentration-independent diffusivity while OH units do not contribute to the transport but react to provide H2O, the data (except for the 510 degrees C data) are in agreement with extrapolation from previous results and hence extend the previous data base and provide a test of the applicability of the model to very low water contents. Mean bulk water diffusivities are about two orders of magnitude less than molecular H2O diffusivities because the fraction of molecular H2O out of total water is very small at 0.114 wt% total water and less. The 510 degrees C experimental results can be interpreted as due to slow kinetics of OH to H2O interconversion at low temperatures.

Experimental dehydration of natural obsidian and estimation of DH2O at low water contents.

PubMed

Jambon, A; Zhang, Y; Stolper, E M

1992-01-01

Water diffusion experiments were carried out by dehydrating rhyolitic obsidian from Valles Caldera (New Mexico, USA) at 510-980 degrees C. The starting glass wafers contained approximately 0.114 wt% total water, lower than any glasses previously investigated for water diffusion. Weight loss due to dehydration was measured as a function of experiment duration, which permits determination of mean bulk water diffusivity, mean Dw. These diffusivities are in the range of 2.6 to 18 X 10(-14) m2/s and can be fit with the following Arrhenius equation: ln mean Dw (m2/s) = -(25.10 +/- 1.29) - (46,480 +/- 11,400) (J/mol) / RT, except for two replicate runs at 510 degrees C which give mean Dw values much lower than that defined by the above equation. When interpreted according to a model of water speciation in which molecular H2O is the diffusing species with concentration-independent diffusivity while OH units do not contribute to the transport but react to provide H2O, the data (except for the 510 degrees C data) are in agreement with extrapolation from previous results and hence extend the previous data base and provide a test of the applicability of the model to very low water contents. Mean bulk water diffusivities are about two orders of magnitude less than molecular H2O diffusivities because the fraction of molecular H2O out of total water is very small at 0.114 wt% total water and less. The 510 degrees C experimental results can be interpreted as due to slow kinetics of OH to H2O interconversion at low temperatures.

PERFORMANCE OF A NEW PASSIVE DIFFUSION SAMPLER FOR SOIL GAS AND GROUND WATER SAMPLING

EPA Science Inventory

Conventional practice to estimate intrusion of fuel vapors from ground water to buildings measures the concentration of BTEX in ground water beneath the building using a conventional well screened across the water table. Conventional practice assumes that the concentration of co...

Modeling the movement and equilibrium of water in the body of ruminants in relation to estimating body composition by deuterium oxide dilution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arnold, R.N.

1986-01-01

Deuterium oxide (D/sub 2/O) dilution was evaluated for use in estimating body composition of ruminants. Empty body composition of cattle could not be accurately estimated by two- or three-compartment models when solved on the basis of clearance of D/sub 2/O from blood. A 29-compartment blood-flow model was developed from measured blood flow rates and water volumes of tissues of sheep. The rates of equilibration of water in tissues that were simulated by the blood-flow model were much faster than actual rates measured in sheep and cattle. The incorporation of diffusion hindrances for movement of water into tissues enabled the bloodmore » flow model to simulate the measured equilibration rates in tissues, but the values of the diffusion coefficients were different for each tissue. The D/sub 2/O-disappearance curve for blood simulated by the blood-flow model with diffusion limitations was comprised for four exponential components. The tissues and gastrointestinal tract contents were placed into five groups based upon the rate of equilibration. Water in the organs of the body equilibrated with water in blood within 3 min. Water in visceral fat, head, and some of the gastrointestinal tract tissues equilibrated within 8 to 16 min. Water in skeletal muscle, fat, and bone and the contents of some segments of the gastrointestinal tract equilibrated within 30 to 36 min. Water in the tissues and contents of the cecum and upper-large intestine equilibrated within 160 to 200 min. Water in ruminal tissue and contents equilibrated within 480 min.« less

Analyzing the Limitations and the Applicability Domain of Water-Sediment Transformation Tests like OECD 308.

PubMed

Ter Horst, Mechteld M S; Koelmans, Albert A

2016-10-04

The assessment of chemical degradation rates from water-sediment experiments like for instance OECD 308 is challenging due to parallel occurrence of processes like degradation, sorption and diffusive transport, at different rates in water and sediment or at their interface. To systematically and quantitatively analyze this limitation, we generated artificial experiment data sets using model simulations and then used these data sets in an inverse modeling exercise to estimate degradation half-lives in water and sediment (DegT50 wat and DegT50 sed ), which then were evaluated against their true values. Results were visualized by chemical space diagrams that identified those substance property combinations for which the OECD 308 test is fundamentally inappropriate. We show that the uncertainty in estimated degradation half-lives in water increases as the process of diffusion to the sediment becomes dominant over degradation in the water. We show that in theory the uncertainty in the estimated DegT50 sed is smaller than the uncertainty in the DegT50 wat . The predictive value of our chemical space diagrams was validated using literature transformation rates and their uncertainties that were inferred from real water-sediment experiments.

Length of intact plasma membrane determines the diffusion properties of cellular water.

PubMed

Eida, Sato; Van Cauteren, Marc; Hotokezaka, Yuka; Katayama, Ikuo; Sasaki, Miho; Obara, Makoto; Okuaki, Tomoyuki; Sumi, Misa; Nakamura, Takashi

2016-01-11

Molecular diffusion in a boundary-free medium depends only on the molecular size, the temperature, and medium viscosity. However, the critical determinant of the molecular diffusion property in inhomogeneous biological tissues has not been identified. Here, using an in vitro system and a high-resolution MR imaging technique, we show that the length of the intact plasma membrane is a major determinant of water diffusion in a controlled cellular environment and that the cell perimeter length (CPL) is sufficient to estimate the apparent diffusion coefficient (ADC) of water in any cellular environment in our experimental system (ADC = -0.21 × CPL + 1.10). We used this finding to further explain the different diffusion kinetics of cells that are dying via apoptotic or non-apoptotic cell death pathways exhibiting characteristic changes in size, nuclear and cytoplasmic architectures, and membrane integrity. These results suggest that the ADC value can be used as a potential biomarker for cell death.

Length of intact plasma membrane determines the diffusion properties of cellular water

PubMed Central

Eida, Sato; Van Cauteren, Marc; Hotokezaka, Yuka; Katayama, Ikuo; Sasaki, Miho; Obara, Makoto; Okuaki, Tomoyuki; Sumi, Misa; Nakamura, Takashi

2016-01-01

Molecular diffusion in a boundary-free medium depends only on the molecular size, the temperature, and medium viscosity. However, the critical determinant of the molecular diffusion property in inhomogeneous biological tissues has not been identified. Here, using an in vitro system and a high-resolution MR imaging technique, we show that the length of the intact plasma membrane is a major determinant of water diffusion in a controlled cellular environment and that the cell perimeter length (CPL) is sufficient to estimate the apparent diffusion coefficient (ADC) of water in any cellular environment in our experimental system (ADC = −0.21 × CPL + 1.10). We used this finding to further explain the different diffusion kinetics of cells that are dying via apoptotic or non-apoptotic cell death pathways exhibiting characteristic changes in size, nuclear and cytoplasmic architectures, and membrane integrity. These results suggest that the ADC value can be used as a potential biomarker for cell death. PMID:26750342

Determination of diffusion coefficients of carbon dioxide in water between 268 and 473 K in a high-pressure capillary optical cell with in situ Raman spectroscopic measurements

USGS Publications Warehouse

Lu, Wanjun; Guo, Huirong; Chou, I.-Ming; Burruss, R.C.; Li, Lanlan

2013-01-01

Accurate values of diffusion coefficients for carbon dioxide in water and brine at reservoir conditions are essential to our understanding of transport behavior of carbon dioxide in subsurface pore space. However, the experimental data are limited to conditions at low temperatures and pressures. In this study, diffusive transfer of carbon dioxide in water at pressures up to 45 MPa and temperatures from 268 to 473 K was observed within an optical capillary cell via time-dependent Raman spectroscopy. Diffusion coefficients were estimated by the least-squares method for the measured variations in carbon dioxide concentration in the cell at various sample positions and time. At the constant pressure of 20 MPa, the measured diffusion coefficients of carbon dioxide in water increase with increasing temperature from 268 to 473 K. The relationship between diffusion coefficient of carbon dioxide in water [D(CO2) in m2/s] and temperature (T in K) was derived with Speedy–Angell power-law approach as: D(CO2)=D0[T/Ts-1]m where D0 = 13.942 × 10−9 m2/s, Ts = 227.0 K, and m = 1.7094. At constant temperature, diffusion coefficients of carbon dioxide in water decrease with pressure increase. However, this pressure effect is rather small (within a few percent).

Paleotemperatures derived from the EPICA Dome-C core based on isotopic diffusion in the firn pack.

NASA Astrophysics Data System (ADS)

Gkinis, V.; Johnsen, S. J.; Vinther, B.; Sheldon, S.; Ritz, C.; Masson-Delmotte, V.

2009-04-01

Water isotope ratios as measured from ice core samples have been used as a proxy for past temperatures. Based i.a. on a Rayleigh fractionation process they record the cloud temperature during snow formation. However, changes in the temperature and humidity of the vapor source can also affect the isotopic signal of the polar precipitation, thus inducing isotopic artifacts. Furthermore, for the case of the Antarctic ice cap, temperature inversions frequently occur during snow formation. As a result, the cloud temperature as recorded by the water isotopes can differ significantly from the temperature at the surface. After the deposition of snow and until pore close off, a diffusive process occurs in the pore space of the firn pack, mixing water vapor from different layers and smoothing the isotopic profiles. The smoothing depends only on the resulting diffusion length. This process is temperature dependent and it presents a slightly different rate between the two isotopic species of water, H218O and HD16O. This is because the fractionation factors as defined for these two isotopic species have a different dependence on temperature. In this study we present a temperature reconstruction based on the different diffusion rates of H218O and HD16O water molecules in firn. The advantage of such an approach is that the temperatures estimated represent the actual conditions in the firn stack. As a result, we can surpass the artifacts that can possibly disrupt the use of the classical technique. We will present temperature estimations as extracted from two high resolution (2.5 cm) data sets, from the EPICA Dome C deep core focused on the Holoene Climatic Optimum and the Last Glacial Maximum and compare them with results obtained with the classical slope method as well as constrains imposed by the measured temperature profile. We will also address the problems of spectral power estimation for determining the diffusion lengths.

Predictive model to describe water migration in cellular solid foods during storage.

PubMed

Voogt, Juliën A; Hirte, Anita; Meinders, Marcel B J

2011-11-01

Water migration in cellular solid foods during storage causes loss of crispness. To improve crispness retention, physical understanding of this process is needed. Mathematical models are suitable tools to gain this physical knowledge. Water migration in cellular solid foods involves migration through both the air cells and the solid matrix. For systems in which the water migration distance is large compared with the cell wall thickness of the solid matrix, the overall water flux through the system is dominated by the flux through the air. For these systems, water migration can be approximated well by a Fickian diffusion model. The effective diffusion coefficient can be expressed in terms of the material properties of the solid matrix (i.e. the density, sorption isotherm and diffusion coefficient of water in the solid matrix) and the morphological properties of the cellular structure (i.e. water vapour permeability and volume fraction of the solid matrix). The water vapour permeability is estimated from finite element method modelling using a simplified model for the cellular structure. It is shown that experimentally observed dynamical water profiles of bread rolls that differ in crust permeability are predicted well by the Fickian diffusion model. Copyright © 2011 Society of Chemical Industry.

Bound Pool Fractions Complement Diffusion Measures to Describe White Matter Micro and Macrostructure

PubMed Central

Stikov, Nikola; Perry, Lee M.; Mezer, Aviv; Rykhlevskaia, Elena; Wandell, Brian A.; Pauly, John M.; Dougherty, Robert F.

2010-01-01

Diffusion imaging and bound pool fraction (BPF) mapping are two quantitative magnetic resonance imaging techniques that measure microstructural features of the white matter of the brain. Diffusion imaging provides a quantitative measure of the diffusivity of water in tissue. BPF mapping is a quantitative magnetization transfer (qMT) technique that estimates the proportion of exchanging protons bound to macromolecules, such as those found in myelin, and is thus a more direct measure of myelin content than diffusion. In this work, we combine BPF estimates of macromolecular content with measurements of diffusivity within human white matter tracts. Within the white matter, the correlation between BPFs and diffusivity measures such as fractional anisotropy and radial diffusivity was modest, suggesting that diffusion tensor imaging and bound pool fractions are complementary techniques. We found that several major tracts have high BPF, suggesting a higher density of myelin in these tracts. We interpret these results in the context of a quantitative tissue model. PMID:20828622

Neurite density from magnetic resonance diffusion measurements at ultrahigh field: Comparison with light microscopy and electron microscopy

PubMed Central

Jespersen, Sune N.; Bjarkam, Carsten R.; Nyengaard, Jens R.; Chakravarty, M. Mallar; Hansen, Brian; Vosegaard, Thomas; Østergaard, Leif; Yablonskiy, Dmitriy; Nielsen, Niels Chr.; Vestergaard-Poulsen, Peter

2010-01-01

Due to its unique sensitivity to tissue microstructure, diffusion-weighted magnetic resonance imaging (MRI) has found many applications in clinical and fundamental science. With few exceptions, a more precise correspondence between physiological or biophysical properties and the obtained diffusion parameters remain uncertain due to lack of specificity. In this work, we address this problem by comparing diffusion parameters of a recently introduced model for water diffusion in brain matter to light microscopy and quantitative electron microscopy. Specifically, we compare diffusion model predictions of neurite density in rats to optical myelin staining intensity and stereological estimation of neurite volume fraction using electron microscopy. We find that the diffusion model describes data better and that its parameters show stronger correlation with optical and electron microscopy, and thus reflect myelinated neurite density better than the more frequently used diffusion tensor imaging (DTI) and cumulant expansion methods. Furthermore, the estimated neurite orientations capture dendritic architecture more faithfully than DTI diffusion ellipsoids. PMID:19732836

Influence of convection on the diffusive transport and sieving of water and small solutes across the peritoneal membrane.

PubMed

Asghar, Ramzana B; Diskin, Ann M; Spanel, Patrik; Smith, David; Davies, Simon J

2005-02-01

The three-pore model of peritoneal membrane physiology predicts sieving of small solutes as a result of the presence of a water-exclusive pathway. The purpose of this study was to measure the diffusive and convective components of small solute transport, including water, under differing convection. Triplicate studies were performed in eight stable individuals using 2-L exchanges of bicarbonate buffered 1.36 or 3.86% glucose and icodextrin. Diffusion of water was estimated by establishing an artificial gradient of deuterated water (HDO) between blood/body water and the dialysate. (125)RISA (radio-iodinated serum albumin) was used as an intraperitoneal volume marker to determine the net ultrafiltration and reabsorption of fluid. The mass transfer area coefficient (MTAC) for HDO and solutes was estimated using the Garred and Waniewski equations. The MTAC of HDO calculated for 1.36% glucose and icodextrin were similar (36.8 versus 39.7 ml/min; P = 0.3), whereas for other solutes, values obtained using icodextrin were consistently higher (P < 0.05). A significant increase in the MTAC of HDO was demonstrated with an increase in the convective flow of water when using 3.86% glucose (mean value, 49.5 ml/min; P < 0.05). MTAC for urea was also increased with 3.86% glucose. The identical MTAC for water using 1.36% glucose and icodextrin indicates that diffusion is predominantly through small pores, whereas the difference in MTAC for the remaining solutes is a reflection of their sieving. The increase in the MTAC of water and urea associated with an increase in convection is most likely due to increased mixing within the interstitium.

In situ estimation of the effective chemical diffusion coefficient of a rock matrix in a fractured aquifer

USGS Publications Warehouse

Gebrekristos, R.A.; Shapiro, A.M.; Usher, B.H.

2008-01-01

An in situ method of estimating the effective diffusion coefficient for a chemical constituent that diffuses into the primary porosity of a rock is developed by abruptly changing the concentration of the dissolved constituent in a borehole in contact with the rock matrix and monitoring the time-varying concentration. The experiment was conducted in a borehole completed in mudstone on the campus of the University of the Free State in Bloemfontein, South Africa. Numerous tracer tests were conducted at this site, which left a residual concentration of sodium chloride in boreholes that diffused into the rock matrix over a period of years. Fresh water was introduced into a borehole in contact with the mudstone, and the time-varying increase of chloride was observed by monitoring the electrical conductivity (EC) at various depths in the borehole. Estimates of the effective diffusion coefficient were obtained by interpreting measurements of EC over 34 d. The effective diffusion coefficient at a depth of 36 m was approximately 7.8??10-6 m2/d, but was sensitive to the assumed matrix porosity. The formation factor and mass flux for the mudstone were also estimated from the experiment. ?? Springer-Verlag 2007.

Profile soil property estimation using a VIS-NIR-EC-force probe

USDA-ARS?s Scientific Manuscript database

Combining data collected in-field from multiple soil sensors has the potential to improve the efficiency and accuracy of soil property estimates. Optical diffuse reflectance spectroscopy (DRS) has been used to estimate many important soil properties, such as soil carbon, water content, and texture. ...

The rate of equilibration of viscous aerosol particles

NASA Astrophysics Data System (ADS)

O'Meara, Simon; Topping, David O.; McFiggans, Gordon

2016-04-01

The proximity of atmospheric aerosol particles to equilibrium with their surrounding condensable vapours can substantially impact their transformations, fate and impacts and is the subject of vibrant research activity. In this study we first compare equilibration timescales estimated by three different models for diffusion through aerosol particles to assess any sensitivity to choice of model framework. Equilibration times for diffusion coefficients with varying dependencies on composition are compared for the first time. We show that even under large changes in the saturation ratio of a semi-volatile component (es) of 1-90 % predicted equilibration timescales are in agreement, including when diffusion coefficients vary with composition. For condensing water and a diffusion coefficient dependent on composition, a plasticising effect is observed, leading to a decreased estimated equilibration time with increasing final es. Above 60 % final es maximum equilibration times of around 1 s are estimated for comparatively large particles (10 µm) containing a relatively low diffusivity component (1 × 10-25 m2 s-1 in pure form). This, as well as other results here, questions whether particle-phase diffusion through water-soluble particles can limit hygroscopic growth in the ambient atmosphere. In the second part of this study, we explore sensitivities associated with the use of particle radius measurements to infer diffusion coefficient dependencies on composition using a diffusion model. Given quantified similarities between models used in this study, our results confirm considerations that must be taken into account when designing such experiments. Although quantitative agreement of equilibration timescales between models is found, further work is necessary to determine their suitability for assessing atmospheric impacts, such as their inclusion in polydisperse aerosol simulations.

CONSTRUCTION AND INSTALLATION OF A NEW PASSIVE DIFFUSION SAMPLER CAPABLE OF MONITORING BENZENE IN EITHER SOIL GAS OR GROUND WATER

EPA Science Inventory

Conventional practice to estimate intrusion of fuel vapors from ground water to buildings measures the concentration of BTEX in ground water beneath the building using a conventional well screened across the water table. This practice assumes that the concentration of contaminant...

An elemental mercury diffusion coefficient for natural waters determined by molecular dynamics simulation.

PubMed

Kuss, Joachim; Holzmann, Jörg; Ludwig, Ralf

2009-05-01

Mercury is a priority pollutant as its mobility between the hydrosphere and the atmosphere threatens the biosphere globally. The air-water gas transfer of elemental mercury (Hg0) is controlled by its diffusion through the water-side boundary layer and thus by its diffusion coefficient, D(Hg), the value of which, however, has not been established. Here, the diffusion of Hg0 in water was modeled by molecular dynamics (MD) simulation and the diffusion coefficient subsequently determined. Therefore the movement of either Hg(0) or xenon and 1000 model water molecules (TIP4P-Ew) were traced for time spans of 50 ns. The modeled D(Xe) of the monatomic noble gas agreed well with measured data; thus, MD simulation was assumed to be a reliable approach to determine D(Hg) for monatomic Hg(0) as well. Accordingly, Hg(0) diffusion was then simulated for freshwater and seawater, and the data were well-described by the equation of Eyring. The activation energies for the diffusion of Hg0 in freshwater was 17.0 kJ mol(-1) and in seawater 17.8 kJ mol(-1). The newly determined D(Hg) is clearly lower than the one previously used for an oceanic mercury budget. Thus, its incorporation into the model should lead to lower estimates of global ocean mercury emissions.

Impact of transcytolemmal water exchange on estimates of tissue microstructural properties derived from diffusion MRI.

PubMed

Li, Hua; Jiang, Xiaoyu; Xie, Jingping; Gore, John C; Xu, Junzhong

2017-06-01

To investigate the influence of transcytolemmal water exchange on estimates of tissue microstructural parameters derived from diffusion MRI using conventional PGSE and IMPULSED methods. Computer simulations were performed to incorporate a broad range of intracellular water life times τ in (50-∞ ms), cell diameters d (5-15 μm), and intrinsic diffusion coefficient D in (0.6-2 μm 2 /ms) for different values of signal-to-noise ratio (SNR) (10 to 50). For experiments, murine erythroleukemia (MEL) cancer cells were cultured and treated with saponin to selectively change cell membrane permeability. All fitted microstructural parameters from simulations and experiments in vitro were compared with ground-truth values. Simulations showed that, for both PGSE and IMPULSED methods, cell diameter d can be reliably fit with sufficient SNR (≥ 50), whereas intracellular volume fraction f in is intrinsically underestimated due to transcytolemmal water exchange. D in can be reliably fit only with sufficient SNR and using the IMPULSED method with short diffusion times. These results were confirmed with those obtained in the cell culture experiments in vitro. For the sequences and models considered in this study, transcytolemmal water exchange has minor effects on the fittings of d and D in with physiologically relevant membrane permeabilities if the SNR is sufficient (> 50), but f in is intrinsically underestimated. Magn Reson Med 77:2239-2249, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

Comparison of field and laboratory VNIR spectroscopy for profile soil property estimation

USDA-ARS?s Scientific Manuscript database

In-field, in-situ data collection with soil sensors has potential to improve the efficiency and accuracy of soil property estimates. Optical diffuse reflectance spectroscopy (DRS) has been used to estimate important soil properties, such as soil carbon, nitrogen, water content, and texture. Most pre...

Estimation of soil profile physical and chemical properties using a VIS-NIR-EC-force probe

USDA-ARS?s Scientific Manuscript database

Combining data collected in-field from multiple soil sensors has the potential to improve the efficiency and accuracy of soil property estimates. Optical diffuse reflectance spectroscopy (DRS) has been used to estimate many important soil properties, such as soil carbon, water content, and texture. ...

Numerical Evaluation of Lateral Diffusion Inside Diffusive Gradients in Thin Films Samplers

PubMed Central

2015-01-01

Using numerical simulation of diffusion inside diffusive gradients in thin films (DGT) samplers, we show that the effect of lateral diffusion inside the sampler on the solute flux into the sampler is a nonlinear function of the diffusion layer thickness and the physical sampling window size. In contrast, earlier work concluded that this effect was constant irrespective of parameters of the sampler geometry. The flux increase caused by lateral diffusion inside the sampler was determined to be ∼8.8% for standard samplers, which is considerably lower than the previous estimate of ∼20%. Lateral diffusion is also propagated to the diffusive boundary layer (DBL), where it leads to a slightly stronger decrease in the mass uptake than suggested by the common 1D diffusion model that is applied for evaluating DGT results. We introduce a simple correction procedure for lateral diffusion and demonstrate how the effect of lateral diffusion on diffusion in the DBL can be accounted for. These corrections often result in better estimates of the DBL thickness (δ) and the DGT-measured concentration than earlier approaches and will contribute to more accurate concentration measurements in solute monitoring in waters. PMID:25877251

Air sparging: Air-water mass transfer coefficients

NASA Astrophysics Data System (ADS)

Braida, Washington J.; Ong, Say Kee

1998-12-01

Experiments investigating the mass transfer of several dissolved volatile organic compounds (VOCs) across the air-water interface were conducted using a single-air- channel air-sparging system. Three different porous media were used in the study. Air velocities ranged from 0.2 cm s-1 to 2.5 cm s-1. The tortuosity factor for each porous medium and the air-water mass transfer coefficients were estimated by fitting experimental data to a one-dimensional diffusion model. The estimated mass transfer coefficients KG ranged from 1.79 × 10-3 cm min-1 to 3.85 × 10-2 cm min-1. The estimated lumped gas phase mass transfer coefficients KGa were found to be directly related to the air diffusivity of the VOC, air velocity, and particle size, and inversely related to the Henry's law constant of the VOCs. Of the four parameters investigated, the parameter that controlled or had a dominant effect on the lumped gas phase mass transfer coefficient was the air diffusivity of the VOC. Two empirical models were developed by correlating the Damkohler and the modified air phase Sherwood numbers with the air phase Peclet number, Henry's law constant, and the reduced mean particle size of porous media. The correlation developed in this study may be used to obtain better predictions of mass transfer fluxes for field conditions.

Diffusivity Measurements of Volatile Organics in Levitated Viscous Aerosol Particles

NASA Astrophysics Data System (ADS)

Bastelberger, Sandra; Krieger, Ulrich; Luo, Beiping; Peter, Thomas

2017-04-01

Field measurements indicating that atmospheric secondary aerosol (SOA) particles can be present in a highly viscous, glassy state have spurred numerous studies addressing low water diffusivities in glassy aerosols, focusing on kinetic limitations to hygroscopic growth and the plasticizing effect of water. Less is known about diffusion limitations of organic molecules and oxidants in viscous matrices and how these might affect atmospheric chemistry and gas-particle phase partitioning of complex mixtures with constituents of different volatility. Often viscosity data has been used to infer diffusivity via the Stokes- Einstein relationship even though strong deviations from this relationship have been observed for matrices of high viscosity. In this study, we provide a quantitative estimate for the diffusivity of a volatile organic in a viscous matrix. Evaporation of single particles generated from an aqueous solution of sucrose and a small quantity of volatile tetraethylene glycol (PEG-4) is investigated in an electrodynamic balance at controlled relative humidity (RH) and temperature conditions, thereby varying the viscosity of the sucrose matrix. The evaporative loss of tetraethylene glycol as determined by Mie resonance spectroscopy is used in conjunction with a diffusion model to retrieve translational diffusion coefficients of tetraethylene glycol. The evaporation of PEG-4 shows a pronounced RH and temperature dependence and is severely depressed for RH 30% corresponding to diffusivities < 10-14 cm2/s at temperatures as high as 15 °C, implying that atmospheric volatile organic compounds (VOC) can be subject to severe diffusion limitations in glassy SOA. Comparison of the experimentally derived diffusivities with viscosity estimates for the ternary system reveals a breakdown of the Stokes-Einstein relationship.

Imaging and modelling root water uptake

NASA Astrophysics Data System (ADS)

Zarebanadkouki, M.; Meunier, F.; Javaux, M.; Kaestner, A.; Carminati, A.

2017-12-01

Spatially resolved measurement and modelling of root water uptake is urgently needed to identify root traits that can improve capture of water from the soil. However, measuring water fluxes into roots of transpiring plants growing in soil remains challenging. Here, we describe an in-situ technique to measure local fluxes of water into roots. The technique consists of tracing the transport of deuterated water (D2O) in soil and roots using time series neutron radiography and tomography. A diffusion-convection model was used to model the transport of D2O in roots. The model includes root features such as the endodermis, xylem and the composite flow of water in the apoplastic and symplastic pathways. Diffusion permeability of root cells and of the endodermis were estimated by fitting the experiment during the night, when transpiration was negligible. The water fluxes at different position of the root system were obtained by fitting the experiments at daytime. The results showed that root water uptake was not uniform along root system and varied among different root types. The measured profiles of root water uptake into roots were used to estimate the radial and axial hydraulic of the roots. A three-dimensional model of root water uptake was used to fit the measured water fluxes by adjusting the root radial and axial hydraulic conductivities. We found that the estimated radial conductivities decreased with root age, while the axial conducances increased, and they are different among root types. The significance of this study is the development of a method to estimate 1) water uptake and 2) the radial and axial hydraulic conductivities of roots of transpiring plants growing in the soil.

Nationwide assessment of nonpoint source threats to water quality

Treesearch

Thomas C. Brown; Pamela Froemke

2012-01-01

Water quality is a continuing national concern, in part because the containment of pollution from nonpoint (diffuse) sources remains a challenge. We examine the spatial distribution of nonpoint-source threats to water quality. On the basis of comprehensive data sets for a series of watershed stressors, the relative risk of water-quality impairment was estimated for the...

Constraining Gas Diffusivity-Soil Water Content Relationships in Forest Soils Using Surface Chamber Fluxes and Depth Profiles of Multiple Trace Gases

NASA Astrophysics Data System (ADS)

Dore, J. E.; Kaiser, K.; Seybold, E. C.; McGlynn, B. L.

2012-12-01

Forest soils are sources of carbon dioxide (CO2) to the atmosphere and can act as either sources or sinks of methane (CH4) and nitrous oxide (N2O), depending on redox conditions and other factors. Soil moisture is an important control on microbial activity, redox conditions and gas diffusivity. Direct chamber measurements of soil-air CO2 fluxes are facilitated by the availability of sensitive, portable infrared sensors; however, corresponding CH4 and N2O fluxes typically require the collection of time-course physical samples from the chamber with subsequent analyses by gas chromatography (GC). Vertical profiles of soil gas concentrations may also be used to derive CH4 and N2O fluxes by the gradient method; this method requires much less time and many fewer GC samples than the direct chamber method, but requires that effective soil gas diffusivities are known. In practice, soil gas diffusivity is often difficult to accurately estimate using a modeling approach. In our study, we apply both the chamber and gradient methods to estimate soil trace gas fluxes across a complex Rocky Mountain forested watershed in central Montana. We combine chamber flux measurements of CO2 (by infrared sensor) and CH4 and N2O (by GC) with co-located soil gas profiles to determine effective diffusivity in soil for each gas simultaneously, over-determining the diffusion equations and providing constraints on both the chamber and gradient methodologies. We then relate these soil gas diffusivities to soil type and volumetric water content in an effort to arrive at empirical parameterizations that may be used to estimate gas diffusivities across the watershed, thereby facilitating more accurate, frequent and widespread gradient-based measurements of trace gas fluxes across our study system. Our empirical approach to constraining soil gas diffusivity is well suited for trace gas flux studies over complex landscapes in general.

Evaluation of a New Passive Diffusion Sampler for Monitoring for Soil Gas and Ground Water at Two UST Sites

EPA Science Inventory

Historically, conventional practice to estimate intrusion of fuel vapors from soil and ground water to buildings measures the concentration of BTEX beneath the building using vapor probes or monitoring wells screened across the water table. Standard practice assumes that the co...

Solubility and diffusivity of N{sub 2}O and CO{sub 2} in (monoethanolamine + N-methyldiethanolamine + water) and in (monoethanolamine + 2-amino-2-methyl-1-propanol + water)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, M.H.; Lai, M.D.

1995-03-01

Solutions of amines are frequently used in gas-treating processes to remove acid gases, such as CO{sub 2} and H{sub 2}S, from gas streams in the natural gas and synthetic ammonia industries and petroleum chemical plants. The solubility and diffusivity of N{sub 2}O in (monoethanolamine + N-methyldiethanolamine + water) and in (monoethanolamine + 2-amino-2-methyl-l-propanol + water) were measured at 30, 35, and 40 C and at atmospheric pressure. Six (monoethanolamine + N-methyldiethanolamine + water) and five (monoethanolamine + 2-amino-2-methyl-l-propanol + water) systems were studied. The total amine mass percent in all cases was 30. The solubilities were measured by a solubilitymore » apparatus similar to that of Haimour and Sandall (1984). A wetted wall column absorber was used to obtain the diffusivity of N{sub 2}O in amines. The N{sub 2}O solubilities in amine solutions have been correlated on the basis of the excess Henry constant correlation of Wang et al. (1992). The N{sub 2}O analogy was used to estimate the solubility and diffusivity of CO{sub 2} in (monoethanolamine + N-methyldiethanolamine + water) and in (monoethanolamine + 2-amino-2-methyl-l-propanol + water).« less

NMR investigation of water diffusion in different biofilm structures.

PubMed

Herrling, Maria P; Weisbrodt, Jessica; Kirkland, Catherine M; Williamson, Nathan H; Lackner, Susanne; Codd, Sarah L; Seymour, Joseph D; Guthausen, Gisela; Horn, Harald

2017-12-01

Mass transfer in biofilms is determined by diffusion. Different mostly invasive approaches have been used to measure diffusion coefficients in biofilms, however, data on heterogeneous biomass under realistic conditions is still missing. To non-invasively elucidate fluid-structure interactions in complex multispecies biofilms pulsed field gradient-nuclear magnetic resonance (PFG-NMR) was applied to measure the water diffusion in five different types of biomass aggregates: one type of sludge flocs, two types of biofilm, and two types of granules. Data analysis is an important issue when measuring heterogeneous systems and is shown to significantly influence the interpretation and understanding of water diffusion. With respect to numerical reproducibility and physico-chemical interpretation, different data processing methods were explored: (bi)-exponential data analysis and the Γ distribution model. Furthermore, the diffusion coefficient distribution in relation to relaxation was studied by D-T 2 maps obtained by 2D inverse Laplace transform (2D ILT). The results show that the effective diffusion coefficients for all biofilm samples ranged from 0.36 to 0.96 relative to that of water. NMR diffusion was linked to biofilm structure (e.g., biomass density, organic and inorganic matter) as observed by magnetic resonance imaging and to traditional biofilm parameters: diffusion was most restricted in granules with compact structures, and fast diffusion was found in heterotrophic biofilms with fluffy structures. The effective diffusion coefficients in the biomass were found to be broadly distributed because of internal biomass heterogeneities, such as gas bubbles, precipitates, and locally changing biofilm densities. Thus, estimations based on biofilm bulk properties in multispecies systems can be overestimated and mean diffusion coefficients might not be sufficiently informative to describe mass transport in biofilms and the near bulk. © 2017 Wiley Periodicals, Inc.

A novel active-passive sampling approach for measuring time-averaged concentrations of pollutants in water.

PubMed

Amato, Elvio D; Covaci, Adrian; Town, Raewyn M; Hereijgers, Jonas; Bellekens, Ben; Giacometti, Valentina; Breugelmans, Tom; Weyn, Maarten; Dardenne, Freddy; Bervoets, Lieven; Blust, Ronny

2018-06-14

Passive sampling with in situ devices offers several advantages over traditional sampling methods (i.e., discrete spot sampling), however, data interpretation from conventional passive samplers is hampered by difficulties in estimating the thickness of the diffusion layer at the sampler/medium interface (δ), often leading to inaccurate determinations of target analyte concentrations. In this study, the performance of a novel device combining active and passive sampling was investigated in the laboratory. The active-passive sampling (APS) device is comprised of a diffusion cell fitted with a pump and a flowmeter. Three receiving phases traditionally used in passive sampling devices (i.e., chelex resin, Oasis HLB, and silicone rubber), were incorporated in the diffusion cell and allowed the simultaneous accumulation of cationic metals, polar, and non-polar organic compounds, respectively. The flow within the diffusion cell was accurately controlled and monitored, and, combined with diffusion coefficients measurements, enabled the average δ to be estimated. Strong agreement between APS and time-averaged total concentrations measured in discrete water samples was found for most of the substances investigated. Accuracies for metals ranged between 87 and 116%, except Cu and Pb (∼50%), whilst accuracies between 64 and 101%, and 92 and 151% were achieved for polar and non-polar organic compounds, respectively. These results indicate that, via a well-defined in situ preconcentration step, the proposed APS approach shows promise for monitoring the concentration of a range of pollutants in water. Copyright © 2018 Elsevier Ltd. All rights reserved.

The oceanic biological pump modulates the atmospheric transport of persistent organic pollutants to the Arctic.

PubMed

Galbán-Malagón, Cristóbal; Berrojalbiz, Naiara; Ojeda, María-José; Dachs, Jordi

2012-05-29

Semivolatile persistent organic pollutants have the potential to reach remote environments, such as the Arctic Ocean, through atmospheric transport and deposition. Here we show that this transport of polychlorinated biphenyls to the Arctic Ocean is strongly retarded by the oceanic biological pump. A simultaneous sampling of atmospheric, seawater and plankton samples was performed in July 2007 in the Greenland Current and Atlantic sector of the Arctic Ocean. The atmospheric concentrations declined during atmospheric transport over the Greenland Current with estimated half-lives of 1-4 days. These short half-lives can be explained by the high air-to-water net diffusive flux, which is similar in magnitude to the estimated settling fluxes in the water column. Therefore, the decrease of atmospheric concentrations is due to sequestration of atmospheric polychlorinated biphenyls by enhanced air-water diffusive fluxes driven by phytoplankton uptake and organic carbon settling fluxes (biological pump).

Molecular modeling of diffusion coefficient and ionic conductivity of CO2 in aqueous ionic solutions.

PubMed

Garcia-Ratés, Miquel; de Hemptinne, Jean-Charles; Bonet Avalos, Josep; Nieto-Draghi, Carlos

2012-03-08

Mass diffusion coefficients of CO(2)/brine mixtures under thermodynamic conditions of deep saline aquifers have been investigated by molecular simulation. The objective of this work is to provide estimates of the diffusion coefficient of CO(2) in salty water to compensate the lack of experimental data on this property. We analyzed the influence of temperature, CO(2) concentration,and salinity on the diffusion coefficient, the rotational diffusion, as well as the electrical conductivity. We observe an increase of the mass diffusion coefficient with the temperature, but no clear dependence is identified with the salinity or with the CO(2) mole fraction, if the system is overall dilute. In this case, we notice an important dispersion on the values of the diffusion coefficient which impairs any conclusive statement about the effect of the gas concentration on the mobility of CO(2) molecules. Rotational relaxation times for water and CO(2) increase by decreasing temperature or increasing the salt concentration. We propose a correlation for the self-diffusion coefficient of CO(2) in terms of the rotational relaxation time which can ultimately be used to estimate the mutual diffusion coefficient of CO(2) in brine. The electrical conductivity of the CO(2)-brine mixtures was also calculated under different thermodynamic conditions. Electrical conductivity tends to increase with the temperature and salt concentration. However, we do not observe any influence of this property with the CO(2) concentration at the studied regimes. Our results give a first evaluation of the variation of the CO(2)-brine mass diffusion coefficient, rotational relaxation times, and electrical conductivity under the thermodynamic conditions typically encountered in deep saline aquifers.

Protein diffusiophoresis and salt osmotic diffusion in aqueous solutions.

PubMed

Annunziata, Onofrio; Buzatu, Daniela; Albright, John G

2012-10-25

Diffusion of a solute can be induced by the concentration gradient of another solute in solution. This transport mechanism is known as cross-diffusion. We have investigated cross-diffusion in a ternary protein-salt-water system. Specifically, we measured the two cross-diffusion coefficients for the lysozyme-NaCl-water system at 25 °C and pH 4.5 as a function of protein and salt concentrations by Rayleigh interferometry. One cross-diffusion coefficient characterizes salt osmotic diffusion induced by a protein concentration gradient, and is related to protein-salt thermodynamic interactions as described by the theories of Donnan membrane equilibrium and protein preferential hydration. The other cross-diffusion coefficient characterizes protein diffusiophoresis induced by a salt concentration gradient, and is described as the difference between a preferential-interaction coefficient and a transport parameter. We first relate our experimental results to the protein net charge and the thermodynamic excess of water near the protein surface. We then extract the Stefan-Maxwell diffusion coefficient describing protein-salt interactions in water. We find that the value of this coefficient is negative, contrary to the friction interpretation of Stefan-Maxwell equations. This result is explained by considering protein hydration. Finally, protein diffusiophoresis is quantitatively examined by considering electrophoretic and hydration effects on protein migration and utilized to accurately estimate lysozyme electrophoretic mobility. To our knowledge, this is the first time that protein diffusiophoresis has been experimentally characterized and a protein-salt Stefan-Maxwell diffusion coefficient reported. This work represents a significant contribution for understanding and modeling the effect of concentration gradients in protein-salt aqueous systems relevant to diffusion-based mass-transfer technologies and transport in living systems.

Modeling water exchange and contaminant transport through a Baltic coastal region.

PubMed

Engqvist, Anders; Döös, Kristofer; Andrejev, Oleg

2006-12-01

The water exchange of the Baltic coastal zone is characterized by its seasonally varying regimes. In the safety assessment of a potential repository for spent nuclear fuel, it is important to assess the consequences of a hypothetical leak of radionuclides through the seabed into a waterborne transport phase. In particular, estimates of the associated residence times in the near-shore coastal zone are of interest. There are several methods to quantify such measures, of which three are presented here. Using the coastal location of Forsmark (Sweden) as an example, methods based on passive tracers, particle trajectories, and the average age distribution of exogeneous water parcels are compared for a representative one-year cycle. Tracer-based methods can simulate diffusivity more realistically than the other methods. Trajectory-based methods can handle Lagrangian dispersion processes due to advection but neglect diffusion on the sub-grid scale. The method based on the concept of average age (AvA) of exogeneous water can include all such sources simultaneously not only boundary water bodies but also various (fresh)-water discharges. Due to the inclusion of sub-grid diffusion this method gives a smoother measure of the water renewal. It is shown that backward in time trajectories and AvA-times are basically equipollent methods, yielding correlated results within the limits set by the diffusivity.

A simulation of water pollution model parameter estimation

NASA Technical Reports Server (NTRS)

Kibler, J. F.

1976-01-01

A parameter estimation procedure for a water pollution transport model is elaborated. A two-dimensional instantaneous-release shear-diffusion model serves as representative of a simple transport process. Pollution concentration levels are arrived at via modeling of a remote-sensing system. The remote-sensed data are simulated by adding Gaussian noise to the concentration level values generated via the transport model. Model parameters are estimated from the simulated data using a least-squares batch processor. Resolution, sensor array size, and number and location of sensor readings can be found from the accuracies of the parameter estimates.

Estimation of diffuse and point source microbial pollution in the ribble catchment discharging to bathing waters in the north west of England.

PubMed

Wither, A; Greaves, J; Dunhill, I; Wyer, M; Stapleton, C; Kay, D; Humphrey, N; Watkins, J; Francis, C; McDonald, A; Crowther, J

2005-01-01

Achieving compliance with the mandatory standards of the 1976 Bathing Water Directive (76/160/EEC) is required at all U.K. identified bathing waters. In recent years, the Fylde coast has been an area of significant investments in 'point source' control, which have not proven, in isolation, to satisfactorily achieve compliance with the mandatory, let alone the guide, levels of water quality in the Directive. The potential impact of riverine sources of pollution was first confirmed after a study in 1997. The completion of sewerage system enhancements offered the potential for the study of faecal indicator delivery from upstream sources comprising both point sources and diffuse agricultural sources. A research project to define these elements commenced in 2001. Initially, a desk study reported here, estimated the principal infrastructure contributions within the Ribble catchment. A second phase of this investigation has involved acquisition of empirical water quality and hydrological data from the catchment during the 2002 bathing season. These data have been used further to calibrate the 'budgets' and 'delivery' modelling and these data are still being analysed. This paper reports the initial desk study approach to faecal indicator budget estimation using available data from the sewerage infrastructure and catchment sources of faecal indicators.

Nonnegative definite EAP and ODF estimation via a unified multi-shell HARDI reconstruction.

PubMed

Cheng, Jian; Jiang, Tianzi; Deriche, Rachid

2012-01-01

In High Angular Resolution Diffusion Imaging (HARDI), Orientation Distribution Function (ODF) and Ensemble Average Propagator (EAP) are two important Probability Density Functions (PDFs) which reflect the water diffusion and fiber orientations. Spherical Polar Fourier Imaging (SPFI) is a recent model-free multi-shell HARDI method which estimates both EAP and ODF from the diffusion signals with multiple b values. As physical PDFs, ODFs and EAPs are nonnegative definite respectively in their domains S2 and R3. However, existing ODF/EAP estimation methods like SPFI seldom consider this natural constraint. Although some works considered the nonnegative constraint on the given discrete samples of ODF/EAP, the estimated ODF/EAP is not guaranteed to be nonnegative definite in the whole continuous domain. The Riemannian framework for ODFs and EAPs has been proposed via the square root parameterization based on pre-estimated ODFs and EAPs by other methods like SPFI. However, there is no work on how to estimate the square root of ODF/EAP called as the wavefuntion directly from diffusion signals. In this paper, based on the Riemannian framework for ODFs/EAPs and Spherical Polar Fourier (SPF) basis representation, we propose a unified model-free multi-shell HARDI method, named as Square Root Parameterized Estimation (SRPE), to simultaneously estimate both the wavefunction of EAPs and the nonnegative definite ODFs and EAPs from diffusion signals. The experiments on synthetic data and real data showed SRPE is more robust to noise and has better EAP reconstruction than SPFI, especially for EAP profiles at large radius.

A statistical method for estimating wood thermal diffusivity and probe geometry using in situ heat response curves from sap flow measurements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Xingyuan; Miller, Gretchen R.; Rubin, Yoram

2012-09-13

The heat pulse method is widely used to measure water flux through plants; it works by inferring the velocity of water through a porous medium from the speed at which a heat pulse is propagated through the system. No systematic, non-destructive calibration procedure exists to determine the site-specific parameters necessary for calculating sap velocity, e.g., wood thermal diffusivity and probe spacing. Such parameter calibration is crucial to obtain the correct transpiration flux density from the sap flow measurements at the plant scale; and consequently, to up-scale tree-level water fluxes to canopy and landscape scales. The purpose of this study ismore » to present a statistical framework for estimating the wood thermal diffusivity and probe spacing simutaneously from in-situ heat response curves collected by the implanted probes of a heat ratio apparatus. Conditioned on the time traces of wood temperature following a heat pulse, the parameters are inferred using a Bayesian inversion technique, based on the Markov chain Monte Carlo sampling method. The primary advantage of the proposed methodology is that it does not require known probe spacing or any further intrusive sampling of sapwood. The Bayesian framework also enables direct quantification of uncertainty in estimated sap flow velocity. Experiments using synthetic data show that repeated tests using the same apparatus are essential to obtain reliable and accurate solutions. When applied to field conditions, these tests are conducted during different seasons and automated using the existing data logging system. The seasonality of wood thermal diffusivity is obtained as a by-product of the parameter estimation process, and it is shown to be affected by both moisture content and temperature. Empirical factors are often introduced to account for the influence of non-ideal probe geometry on the estimation of heat pulse velocity, and they are estimated in this study as well. The proposed methodology can be applied for the calibration of existing heat ratio sap flow systems at other sites. It is especially useful when an alternative transpiration calibration device, such as a lysimeter, is not available.« less

Coupling diffusion and maximum entropy models to estimate thermal inertia

USDA-ARS?s Scientific Manuscript database

Thermal inertia is a physical property of soil at the land surface related to water content. We have developed a method for estimating soil thermal inertia using two daily measurements of surface temperature, to capture the diurnal range, and diurnal time series of net radiation and specific humidi...

Non-Invasive Prostate Cancer Characterization with Diffusion-Weighted MRI: Insight from In silico Studies of a Transgenic Mouse Model

PubMed Central

Hill, Deborah K.; Heindl, Andreas; Zormpas-Petridis, Konstantinos; Collins, David J.; Euceda, Leslie R.; Rodrigues, Daniel N.; Moestue, Siver A.; Jamin, Yann; Koh, Dow-Mu; Yuan, Yinyin; Bathen, Tone F.; Leach, Martin O.; Blackledge, Matthew D.

2017-01-01

Diffusion-weighted magnetic resonance imaging (DWI) enables non-invasive, quantitative staging of prostate cancer via measurement of the apparent diffusion coefficient (ADC) of water within tissues. In cancer, more advanced disease is often characterized by higher cellular density (cellularity), which is generally accepted to correspond to a lower measured ADC. A quantitative relationship between tissue structure and in vivo measurements of ADC has yet to be determined for prostate cancer. In this study, we establish a theoretical framework for relating ADC measurements with tissue cellularity and the proportion of space occupied by prostate lumina, both of which are estimated through automatic image processing of whole-slide digital histology samples taken from a cohort of six healthy mice and nine transgenic adenocarcinoma of the mouse prostate (TRAMP) mice. We demonstrate that a significant inverse relationship exists between ADC and tissue cellularity that is well characterized by our model, and that a decrease of the luminal space within the prostate is associated with a decrease in ADC and more aggressive tumor subtype. The parameters estimated from our model in this mouse cohort predict the diffusion coefficient of water within the prostate-tissue to be 2.18 × 10−3 mm2/s (95% CI: 1.90, 2.55). This value is significantly lower than the diffusion coefficient of free water at body temperature suggesting that the presence of organelles and macromolecules within tissues can drastically hinder the random motion of water molecules within prostate tissue. We validate the assumptions made by our model using novel in silico analysis of whole-slide histology to provide the simulated ADC (sADC); this is demonstrated to have a significant positive correlation with in vivo measured ADC (r2 = 0.55) in our mouse population. The estimation of the structural properties of prostate tissue is vital for predicting and staging cancer aggressiveness, but prostate tissue biopsies are painful, invasive, and are prone to complications such as sepsis. The developments made in this study provide the possibility of estimating the structural properties of prostate tissue via non-invasive virtual biopsies from MRI, minimizing the need for multiple tissue biopsies and allowing sequential measurements to be made for prostate cancer monitoring. PMID:29250485

Estimating oxygen diffusive conductances of gas-exchange systems: A stereological approach illustrated with the human placenta.

PubMed

Mayhew, Terry M

2014-01-01

For many organisms, respiratory gas exchange is a vital activity and different types of gas-exchange apparatus have evolved to meet individual needs. They include not only skin, gills, tracheal systems and lungs but also transient structures such as the chorioallantois of avian eggs and the placenta of eutherian mammals. The ability of these structures to allow passage of oxygen by passive diffusion can be expressed as a diffusive conductance (units: cm(3) O2 min(-1) kPa(-1)). Occasionally, the ability to estimate diffusive conductance by physiological techniques is compromised by the difficulty of obtaining O2 partial pressures on opposite sides of the tissue interface between the delivery medium (air, water, blood) and uptake medium (usually blood). An alternative strategy is to estimate a morphometric diffusive conductance by combining stereological estimates of key structural quantities (volumes, surface areas, membrane thicknesses) with complementary physicochemical data (O2-haemoglobin chemical reaction rates and Krogh's permeability coefficients). This approach has proved valuable in a variety of comparative studies on respiratory organs from diverse species. The underlying principles were formulated in pioneering studies on the pulmonary lung but are illustrated here by taking the human placenta as the gas exchanger. Copyright © 2012 Elsevier GmbH. All rights reserved.

Major diffusion leaks of clamp-on leaf cuvettes still unaccounted: how erroneous are the estimates of Farquhar et al. model parameters?

PubMed

Rodeghiero, Mirco; Niinemets, Ulo; Cescatti, Alessandro

2007-08-01

Estimates of leaf gas-exchange characteristics using standard clamp-on leaf chambers are prone to errors because of diffusion leaks. While some consideration has been given to CO(2) diffusion leaks, potential water vapour diffusion leaks through chamber gaskets have been neglected. We estimated diffusion leaks of two clamp-on Li-Cor LI-6400 (Li-Cor, Inc., Lincoln, NE, USA) leaf chambers with polymer foam gaskets and enclosing either 2 or 6 cm(2) leaf area, and conducted a sensitivity analysis of the diffusion leak effects on Farquhar et al. photosynthesis model parameters - the maximum carboxylase activity of ribulose 1 x 5-bisphosphate carboxylase/oxygenase (Rubisco) (V(cmax)), capacity for photosynthetic electron transport (J(max)) and non-photorespiratory respiration rate in light (R(d)). In addition, net assimilation rate (A(n)) versus intercellular CO(2) (C(i)) responses were measured in leaves of Mediterranean evergreen species Quercus ilex L. enclosing the whole leaf chamber in a polyvinyl fluoride bag flushed with the exhaust air of leaf chamber, thereby effectively reducing the CO(2) and water vapour gradients between ambient air and leaf chamber. For the empty chambers, average diffusion leak for CO(2), K(CO2), (molar flow rate corresponding to unit CO(2) mole fraction difference) was ca. 0.40 micromol s(-1). K(CO2) increased ca. 50% if a dead leaf was clamped between the leaf chamber. Average diffusion leak for H(2)O was ca. 5- to 10-fold larger than the diffusion leak for CO(2). Sensitivity analyses demonstrated that the consequence of a CO(2) diffusion leak was apparent enhancement of A(n) at high CO(2) mole fraction and reduction at lower CO(2) mole fraction, and overall compression of C(i) range. As the result of these modifications, Farquhar et al. model parameters were overestimated. The degree of overestimation increased in the order of V(cmax) < J(max) < R(d), and was larger for smaller chambers and for leaves with lower photosynthetic capacity, leading to overestimation of all three parameters by 70-290% for 2 cm(2), and by 10-60% for 6 cm(2) chamber. Significant diffusion corrections (5-36%) were even required for leaves with high photosynthetic capacity measured in largest chamber. Water vapour diffusion leaks further enhanced the overestimation of model parameters. For small chambers and low photosynthetic capacities, apparent C(i) was simulated to decrease with increasing A(n) because of simultaneous CO(2) and H(2)O diffusion leaks. Measurements in low photosynthetic capacity Quercus ilex leaves enclosed in 2 cm(2) leaf chamber exhibited negative apparent C(i) values at highest A(n). For the same leaves measured with the entire leaf chamber enclosed in the polyvinyl fluoride bag, C(i) and A(n) increased monotonically. While the measurements without the bag could be corrected for diffusion leaks, the required correction in A(n) and transpiration rates was 100-500%, and there was large uncertainty in Farquhar et al. model parameters derived from 'corrected'A(n)/C(i) response curves because of uncertainties in true diffusion leaks. These data demonstrate that both CO(2) and water vapour diffusion leaks need consideration in measurements with clamp-on leaf cuvettes. As plants in natural environments are often characterized by low photosynthetic capacities, cuvette designs need to be improved for reliable measurements in such species.

Evolution and Transport of Water in the Upper Regolith of Mars

NASA Technical Reports Server (NTRS)

Hudson, T. L.; Aharonson, O.; Schorghofer, N.; Hecht, M. H.; Bridges, N. T.; Green, J. R.

2003-01-01

Long standing theoretical predictions [1-3], as well as recent spacecraft observations [4] indicate that large quantities of ice is present in the high latitudes upper decimeters to meters of the Martian regolith. At shallower depths and warmer locations small amounts of H2O, either adsorbed or free, may be present transiently. An understanding of the evolution of water based on theoretical and experimental considerations of the processes operating at the Martian environment is required. In particular, the porosity, diffusivity, and permeability of soils and their effect on water vapor transport under Mars-like conditions have been estimated, but experimental validation of such models is lacking. Goal: Three related mechanisms may affect water transport in the upper Martian regolith. 1) diffusion along a concentration gradient under isobaric conditions, 2) diffusion along a thermal gradient, which may give rise to a concentration gradient as ice sublimes or molecules desorb from the regolith, and 3) hydraulic flow, or mass motion in response to a pressure gradient. Our combined theoretical and experimental investigation seeks to disentangle these mechanisms and determine which process(es) are dominant in the upper regolith over various timescales. A detailed one-dimensional model of the upper regolith is being created which incorporates water adsorption/ desorption, condensation, porosity, diffusivity, and permeability effects. Certain factors such as diffusivity are difficult to determine theoretically due to the wide range of intrinsic grain properties such as particle sizes, shapes, packing densities, and emergent properties such as tortuosity. An experiment is being designed which will allow us to more accurately determine diffusivity, permeability, and water desorption isotherms for regolith simulants.

Estimating cross-slope exchange from drifter tracks and from glider sections

NASA Astrophysics Data System (ADS)

Huthnance, John M.

2017-04-01

In areas of complex topography, it can be difficult to define "along-slope" or "cross-slope" direction, yet transport estimates are sensitive to these definitions, especially as along-slope flow is favoured by geostrophy. However, if drifter positions and hence underlying water depths are recorded regularly, we know where and when depth contours are crossed by the drifters, and hence by the water assuming that the drifters follow the water. An approach is discussed for deriving statistics of contour-crossing speed, via depth changes experienced by the drifters and an effective slope. The transport equation for (e.g.) salinity S can be reduced to an explicit equation for effective diffusivity K if we assume steady along-slope flow with known total transport Q, a salinity maximum at its "core" and effective diffusion to less saline waters to either side. Salinity gradients along the flow and to either side are needed to calculate K. Gliders provide a means of measuring salinity gradients in this context. Measurements at the continental shelf edge south-west of England and west of Scotland illustrate the calculation. Both approaches give overall rather than process-related estimates. There is limited scope for process discrimination according to (i) how often drifter locations are recorded and (ii) the time-intervals into which estimates are "binned". (i) Frequent recording may record more crossings owing to processes of short time scale, albeit these are less significant for slowly-evolving water contents. (ii) Sufficient samples for statistically significant estimates of exchange entail "bins" spanning some weeks or months for typically-limited numbers of drifters or gliders.

Characterization of Preferential Ground-Water Seepage From a Chlorinated Hydrocarbon-Contaminated Aquifer to West Branch Canal Creek, Aberdeen Proving Ground, Maryland, 2002-04

USGS Publications Warehouse

Majcher, Emily H.; Phelan, Daniel J.; Lorah, Michelle M.; McGinty, Angela L.

2007-01-01

Wetlands act as natural transition zones between ground water and surface water, characterized by the complex interdependency of hydrology, chemical and physical properties, and biotic effects. Although field and laboratory demonstrations have shown efficient natural attenuation processes in the non-seep wetland areas and stream bottom sediments of West Branch Canal Creek, chlorinated volatile organic compounds are present in a freshwater tidal creek at Aberdeen Proving Ground, Maryland. Volatile organic compound concentrations in surface water indicate that in some areas of the wetland, preferential flow paths or seeps allow transport of organic compounds from the contaminated sand aquifer to the overlying surface water without undergoing natural attenuation. From 2002 through 2004, the U.S. Geological Survey, in cooperation with the Environmental Conservation and Restoration Division of the U.S. Army Garrison, Aberdeen Proving Ground, characterized preferential ground-water seepage as part of an ongoing investigation of contaminant distribution and natural attenuation processes in wetlands at this site. Seep areas were discrete and spatially consistent during thermal infrared surveys in 2002, 2003, and 2004 throughout West Branch Canal Creek wetlands. In these seep areas, temperature measurements in shallow pore water and sediment more closely resembled those in ground water than those in nearby surface water. Generally, pore water in seep areas contaminated with chlorinated volatile organic compounds had lower methane and greater volatile organic compound concentrations than pore water in non-seep wetland sediments. The volatile organic compounds detected in shallow pore water in seeps were spatially similar to the dominant volatile organic compounds in the underlying Canal Creek aquifer, with both parent and anaerobic daughter compounds detected. Seep locations characterized as focused seeps contained the highest concentrations of chlorinated parent compounds, relatively low concentrations of chlorinated daughter compounds, and insignificant concentrations of methane in shallow pore water samples. These seeps were primarily along the creek edge or formed a dendritic-like pattern between the wetland and creek channel. In contrast, seep locations characterized as diffuse seeps contained relatively high concentrations of chlorinated daughter compounds (or a mixture of daughter and parent compounds) and detectable methane concentrations in shallow pore water samples. These seeps were primarily along the wetland boundary. Qualitative thermal infrared surveys coupled with quantitative verification of temperature differences, and screening for volatile organic compound and methane concentrations proved to be effective tools in determining the overall extent of preferential seepage. Hydrologic and physical properties of wetland sediments were characterized at two focused and one diffuse seep location. In the seeps with focused discharge, measured seepage was consistent over the tidal cycle, whereas more variability with tidal fluctuation was measured in the diffuse seep location. At all locations, areas were identified within the general seep boundaries where discharge was minimal. In all cases, the geometric mean of non-zero vertical flux measurements was greater than those previously reported in the non-seep wetland sediments using flow-net analysis. Flux was greater in the focused discharge areas than in the diffuse discharge area, and all fluxes were within the range reported in the literature for wetland discharge. Vertical hydraulic conductivity estimated from seepage flux and a mean vertical gradient at seeps with focused discharge resulted in a minimum hydraulic conductivity two orders of magnitude greater than those estimated in the non-seep sediment. In contrast, vertical conductivity estimates at a diffuse seep were similar to estimates along a nearby line of section through a non-seep area. Horizontal hydraulic cond

Benchmarking urban flood models of varying complexity and scale using high resolution terrestrial LiDAR data

NASA Astrophysics Data System (ADS)

Fewtrell, Timothy J.; Duncan, Alastair; Sampson, Christopher C.; Neal, Jeffrey C.; Bates, Paul D.

2011-01-01

This paper describes benchmark testing of a diffusive and an inertial formulation of the de St. Venant equations implemented within the LISFLOOD-FP hydraulic model using high resolution terrestrial LiDAR data. The models are applied to a hypothetical flooding scenario in a section of Alcester, UK which experienced significant surface water flooding in the June and July floods of 2007 in the UK. The sensitivity of water elevation and velocity simulations to model formulation and grid resolution are analyzed. The differences in depth and velocity estimates between the diffusive and inertial approximations are within 10% of the simulated value but inertial effects persist at the wetting front in steep catchments. Both models portray a similar scale dependency between 50 cm and 5 m resolution which reiterates previous findings that errors in coarse scale topographic data sets are significantly larger than differences between numerical approximations. In particular, these results confirm the need to distinctly represent the camber and curbs of roads in the numerical grid when simulating surface water flooding events. Furthermore, although water depth estimates at grid scales coarser than 1 m appear robust, velocity estimates at these scales seem to be inconsistent compared to the 50 cm benchmark. The inertial formulation is shown to reduce computational cost by up to three orders of magnitude at high resolutions thus making simulations at this scale viable in practice compared to diffusive models. For the first time, this paper highlights the utility of high resolution terrestrial LiDAR data to inform small-scale flood risk management studies.

Comparative evaluation of urban storm water quality models

NASA Astrophysics Data System (ADS)

Vaze, J.; Chiew, Francis H. S.

2003-10-01

The estimation of urban storm water pollutant loads is required for the development of mitigation and management strategies to minimize impacts to receiving environments. Event pollutant loads are typically estimated using either regression equations or "process-based" water quality models. The relative merit of using regression models compared to process-based models is not clear. A modeling study is carried out here to evaluate the comparative ability of the regression equations and process-based water quality models to estimate event diffuse pollutant loads from impervious surfaces. The results indicate that, once calibrated, both the regression equations and the process-based model can estimate event pollutant loads satisfactorily. In fact, the loads estimated using the regression equation as a function of rainfall intensity and runoff rate are better than the loads estimated using the process-based model. Therefore, if only estimates of event loads are required, regression models should be used because they are simpler and require less data compared to process-based models.

In situ study of mass transfer in aqueous solutions under high pressures via Raman spectroscopy: A new method for the determination of diffusion coefficients of methane in water near hydrate formation conditions

USGS Publications Warehouse

Lu, W.J.; Chou, I.-Ming; Burruss, R.C.; Yang, M.Z.

2006-01-01

A new method was developed for in situ study of the diffusive transfer of methane in aqueous solution under high pressures near hydrate formation conditions within an optical capillary cell. Time-dependent Raman spectra of the solution at several different spots along the one-dimensional diffusion path were collected and thus the varying composition profile of the solution was monitored. Diffusion coefficients were estimated by the least squares method based on the variations in methane concentration data in space and time in the cell. The measured diffusion coefficients of methane in water at the liquid (L)-vapor (V) stable region and L-V metastable region are close to previously reported values determined at lower pressure and similar temperature. This in situ monitoring method was demonstrated to be suitable for the study of mass transfer in aqueous solution under high pressure and at various temperature conditions and will be applied to the study of nucleation and dissolution kinetics of methane hydrate in a hydrate-water system where the interaction of methane and water would be more complicated than that presented here for the L-V metastable condition. ?? 2006 Society for Applied Spectroscopy.

Biogeochemical cycling in an organic-rich coastal marine basin. 8. A sulfur isotopic budget balanced by differential diffusion across the sediment-water interface

USGS Publications Warehouse

Chanton, J.P.; Martens, C.S.; Goldhaber, M.B.

1987-01-01

The sulfur isotopic composition of the sulfur fluxes occurring in the anoxic marine sediments of Cape Lookout Bight, N.C., U.S.A., was determined, and the result of isotopic mass balance was obtained via the differential diffusion model. Seasonal pore water sulfate ??34S measurements yielded a calculated sulfate input of 0.6%.. Sulfate transported into the sediments via diffusion appeared to be enriched in the lighter isotope because its concentration gradient was steeper, due to the increase in the measured isotopic composition of sulfate with depth. Similarly, the back diffusion of dissolved sulfide towards the sediment-water interface appeared enriched in the heavier isotope. The isotopic composition of this flux was calculated from measurements of the ??34S of dissolved sulfide and was determined to be 15.9%.. The isotopic composition of buried sulfide was determined to be -5.2%. and the detrital sulfur input was estimated to be -6.2%.. An isotope mass balance equation based upon the fluxes at the sediment-water interface successfully predicted the isotopic composition of the buried sulfur flux within 0.5%., thus confirming that isotopes diffuse in response to their individual concentration gradients. ?? 1987.

Statewide Groundwater Recharge Modeling in New Mexico

NASA Astrophysics Data System (ADS)

Xu, F.; Cadol, D.; Newton, B. T.; Phillips, F. M.

2017-12-01

It is crucial to understand the rate and distribution of groundwater recharge in New Mexico because it not only largely defines a limit for water availability in this semi-arid state, but also is the least understood aspect of the state's water budget. With the goal of estimating groundwater recharge statewide, we are developing the Evapotranspiration and Recharge Model (ETRM), which uses existing spatial datasets to model the daily soil water balance over the state at a resolution of 250 m cell. The input datasets includes PRISM precipitation data, MODIS Normalized Difference Vegetation Index (NDVI), NRCS soils data, state geology data and reference ET estimates produced by Gridded Atmospheric Data downscalinG and Evapotranspiration Tools (GADGET). The current estimated recharge presents diffuse recharge only, not focused recharge as in channels or playas. Direct recharge measurements are challenging and rare, therefore we estimate diffuse recharge using a water balance approach. The ETRM simulated runoff amount was compared with USGS gauged discharge in four selected ephemeral channels: Mogollon Creek, Zuni River, the Rio Puerco above Bernardo, and the Rio Puerco above Arroyo Chico. Result showed that focused recharge is important, and basin characteristics can be linked with watershed hydrological response. As the sparse instruments in NM provide limited help in improving estimation of focused recharge by linking basin characteristics, the Walnut Gulch Experimental Watershed, which is one of the most densely gauged and monitored semiarid rangeland watershed for hydrology research purpose, is now being modeled with ETRM. Higher spatial resolution of field data is expected to enable detailed comparison of model recharge results with measured transmission losses in ephemeral channels. The final ETRM product will establish an algorithm to estimate the groundwater recharge as a water budget component of the entire state of New Mexico. Reference ET estimated by GADGET suggests 10% - 22% increase by the end of this century under IPCC AR4 A2 emission scenario. ETRM will help water planning for the state to face drought brought by the climate change.

Development of Turbulent Diffusion Transfer Algorithms to Estimate Lake Tahoe Water Budget

NASA Astrophysics Data System (ADS)

Sahoo, G. B.; Schladow, S. G.; Reuter, J. E.

2012-12-01

The evaporative loss is a dominant component in the Lake Tahoe hydrologic budget because watershed area (813km2) is very small compared to the lake surface area (501 km2). The 5.5 m high dam built at the lake's only outlet, the Truckee River at Tahoe City can increase the lake's capacity by approximately 0.9185 km3. The lake serves as a flood protection for downstream areas and source of water supply for downstream cities, irrigation, hydropower, and instream environmental requirements. When the lake water level falls below the natural rim, cessation of flows from the lake cause problems for water supply, irrigation, and fishing. Therefore, it is important to develop algorithms to correctly estimate the lake hydrologic budget. We developed a turbulent diffusion transfer model and coupled to the dynamic lake model (DLM-WQ). We generated the stream flows and pollutants loadings of the streams using the US Environmental Protection Agency (USEPA) supported watershed model, Loading Simulation Program in C++ (LSPC). The bulk transfer coefficients were calibrated using correlation coefficient (R2) as the objective function. Sensitivity analysis was conducted for the meteorological inputs and model parameters. The DLM-WQ estimated lake water level and water temperatures were in agreement to those of measured records with R2 equal to 0.96 and 0.99, respectively for the period 1994 to 2008. The estimated average evaporation from the lake, stream inflow, precipitation over the lake, groundwater fluxes, and outflow from the lake during 1994 to 2008 were found to be 32.0%, 25.0%, 19.0%, 0.3%, and 11.7%, respectively.

Comprehensive model-based prediction of micropollutants from diffuse sources in the Swiss river network

NASA Astrophysics Data System (ADS)

Strahm, Ivo; Munz, Nicole; Braun, Christian; Gälli, René; Leu, Christian; Stamm, Christian

2014-05-01

Water quality in the Swiss river network is affected by many micropollutants from a variety of diffuse sources. This study compares, for the first time, in a comprehensive manner the diffuse sources and the substance groups that contribute the most to water contamination in Swiss streams and highlights the major regions for water pollution. For this a simple but comprehensive model was developed to estimate emission from diffuse sources for the entire Swiss river network of 65 000 km. Based on emission factors the model calculates catchment specific losses to streams for more than 15 diffuse sources (such as crop lands, grassland, vineyards, fruit orchards, roads, railways, facades, roofs, green space in urban areas, landfills, etc.) and more than 130 different substances from 5 different substance groups (pesticides, biocides, heavy metals, human drugs, animal drugs). For more than 180 000 stream sections estimates of mean annual pollutant loads and mean annual concentration levels were modeled. This data was validated with a set of monitoring data and evaluated based on annual average environmental quality standards (AA-EQS). Model validation showed that the estimated mean annual concentration levels are within the range of measured data. Therefore simulations were considered as adequately robust for identifying the major sources of diffuse pollution. The analysis depicted that in Switzerland widespread pollution of streams can be expected. Along more than 18 000 km of the river network one or more simulated substances has a concentration exceeding the AA-EQS. In single stream sections it could be more than 50 different substances. Moreover, the simulations showed that in two-thirds of small streams (Strahler order 1 and 2) at least one AA-EQS is always exceeded. The highest number of substances exceeding the AA-EQS are in areas with large fractions of arable cropping, vineyards and fruit orchards. Urban areas are also of concern even without considering wastewater treatment plants. Only a small number of problematic substances are expected from grassland. Landfills and roadways are insignificant within the entire Swiss river network, but may locally lead to considerable water pollution. Considering all substance groups, pesticides and some heavy metals are the main polluters. Many pesticides are expected to exceed AA-EQS and in a substantial percentage of the river network. Modeling a large number of substances from many sources and a huge quantity of stream sections is only possible with a simple model. Nevertheless conclusions are robust and may indicate where and for what kind of substance groups additional efforts for water quality improvements should be undertaken.

Nanofluid flow and heat transfer in boundary layers: the influence of the concentration diffusion layer on heat transfer enhancement

NASA Astrophysics Data System (ADS)

Liu, Joseph T. C.; Barbosa Decastilho, Cintia Juliana; Fuller, Mark E.; Sane, Aakash

2017-11-01

The present work uses a perturbation procedure to deduce the small nanoparticle volume concentration conservation equations for momentum, heat and concentration diffusion. Thermal physical variables are obtained from conventional means (mixture and field theories) for alumina-water and gold-water nanofluids. In the case of gold-water nano fluid molecular dynamics results are used to estimate such properties, including transport coefficients. The very thin diffusion layer at large Schmidt numbers is found to have a great impact on the velocity and temperature profiles owing to their dependency on transport properties. This has a profound effect on the conduction surface heat transfer rate enhancement and skin friction suppression for the case of nano fluid concentration withdrawal at the wall, while the diffusional surface heat transfer rate is negligible due to large Schmidt numbers. Possible experimental directed at this interesting phenomenon is suggested.

Estimating Thermal Inertia with a Maximum Entropy Boundary Condition

NASA Astrophysics Data System (ADS)

Nearing, G.; Moran, M. S.; Scott, R.; Ponce-Campos, G.

2012-04-01

Thermal inertia, P [Jm-2s-1/2K-1], is a physical property the land surface which determines resistance to temperature change under seasonal or diurnal heating. It is a function of volumetric heat capacity, c [Jm-3K-1], and thermal conductivity, k [Wm-1K-1] of the soil near the surface: P=√ck. Thermal inertia of soil varies with moisture content due the difference between thermal properties of water and air, and a number of studies have demonstrated that it is feasible to estimate soil moisture given thermal inertia (e.g. Lu et al, 2009, Murray and Verhoef, 2007). We take the common approach to estimating thermal inertia using measurements of surface temperature by modeling the Earth's surface as a 1-dimensional homogeneous diffusive half-space. In this case, surface temperature is a function of the ground heat flux (G) boundary condition and thermal inertia and a daily value of P was estimated by matching measured and modeled diurnal surface temperature fluctuations. The difficulty is in measuring G; we demonstrate that the new maximum entropy production (MEP) method for partitioning net radiation into surface energy fluxes (Wang and Bras, 2011) provides a suitable boundary condition for estimating P. Adding the diffusion representation of heat transfer in the soil reduces the number of free parameters in the MEP model from two to one, and we provided a sensitivity analysis which suggests that, for the purpose of estimating P, it is preferable to parameterize the coupled MEP-diffusion model by the ratio of thermal inertia of the soil to the effective thermal inertia of convective heat transfer to the atmosphere. We used this technique to estimate thermal inertia at two semiarid, non-vegetated locations in the Walnut Gulch Experimental Watershed in southeast AZ, USA and compared these estimates to estimates of P made using the Xue and Cracknell (1995) solution for a linearized ground heat flux boundary condition, and we found that the MEP-diffusion model produced superior thermal inertia estimates. The MEP-diffusion estimates also agreed well with P estimates made using a boundary condition measured with buried flux plates. We further demonstrated the new method using diurnal surface temperature fluctuations estimated from day/night MODIS image pairs and, excluding instances where the soil was extremely dry, found a strong relationship between estimated thermal inertia and measured 5 cm soil moisture. Lu, S., Ju, Z.Q., Ren, T.S. & Horton, R. (2009). A general approach to estimate soil water content from thermal inertia. Agricultural and Forest Meteorology, 149, 1693-1698. Murray, T. & Verhoef, A. (2007). Moving towards a more mechanistic approach in the determination of soil heat flux from remote measurements - I. A universal approach to calculate thermal inertia. Agricultural and Forest Meteorology, 147, 80-87. Wang, J.F. & Bras, R.L. (2011). A model of evapotranspiration based on the theory of maximum entropy production. Water Resources Research, 47. Xue, Y. & Cracknell, A.P. (1995). Advanced thermal inertia modeling. International Journal of Remote Sensing, 16, 431-446.

Thermal diffusivity and adiabatic limit temperature characterization of consolidate granular expanded perlite using the flash method

NASA Astrophysics Data System (ADS)

Raefat, Saad; Garoum, Mohammed; Laaroussi, Najma; Thiam, Macodou; Amarray, Khaoula

2017-07-01

In this work experimental investigation of apparent thermal diffusivity and adiabatic limit temperature of expanded granular perlite mixes has been made using the flash technic. Perlite granulates were sieved to produce essentially three characteristic grain sizes. The consolidated samples were manufactured by mixing controlled proportions of the plaster and water. The effect of the particle size on the diffusivity was examined. The inverse estimation of the diffusivity and the adiabatic limit temperature at the rear face as well as the heat losses coefficients were performed using several numerical global minimization procedures. The function to be minimized is the quadratic distance between the experimental temperature rise at the rear face and the analytical model derived from the one dimension heat conduction. It is shown that, for all granulometry tested, the estimated parameters lead to a good agreement between the mathematical model and experimental data.

The role of tissue microstructure and water exchange in biophysical modelling of diffusion in white matter.

PubMed

Nilsson, Markus; van Westen, Danielle; Ståhlberg, Freddy; Sundgren, Pia C; Lätt, Jimmy

2013-08-01

Biophysical models that describe the outcome of white matter diffusion MRI experiments have various degrees of complexity. While the simplest models assume equal-sized and parallel axons, more elaborate ones may include distributions of axon diameters and axonal orientation dispersions. These microstructural features can be inferred from diffusion-weighted signal attenuation curves by solving an inverse problem, validated in several Monte Carlo simulation studies. Model development has been paralleled by microscopy studies of the microstructure of excised and fixed nerves, confirming that axon diameter estimates from diffusion measurements agree with those from microscopy. However, results obtained in vivo are less conclusive. For example, the amount of slowly diffusing water is lower than expected, and the diffusion-encoded signal is apparently insensitive to diffusion time variations, contrary to what may be expected. Recent understandings of the resolution limit in diffusion MRI, the rate of water exchange, and the presence of microscopic axonal undulation and axonal orientation dispersions may, however, explain such apparent contradictions. Knowledge of the effects of biophysical mechanisms on water diffusion in tissue can be used to predict the outcome of diffusion tensor imaging (DTI) and of diffusion kurtosis imaging (DKI) studies. Alterations of DTI or DKI parameters found in studies of pathologies such as ischemic stroke can thus be compared with those predicted by modelling. Observations in agreement with the predictions strengthen the credibility of biophysical models; those in disagreement could provide clues of how to improve them. DKI is particularly suited for this purpose; it is performed using higher b-values than DTI, and thus carries more information about the tissue microstructure. The purpose of this review is to provide an update on the current understanding of how various properties of the tissue microstructure and the rate of water exchange between microenvironments are reflected in diffusion MRI measurements. We focus on the use of biophysical models for extracting tissue-specific parameters from data obtained with single PGSE sequences on clinical MRI scanners, but results obtained with animal MRI scanners are also considered. While modelling of white matter is the central theme, experiments on model systems that highlight important aspects of the biophysical models are also reviewed.

Long-term diffuse phosphorus pollution dynamics under the combined influence of land use and soil property variations.

PubMed

Huang, Haobo; Ouyang, Wei; Wu, Haotian; Liu, Hongbin; Andrea, Critto

2017-02-01

Analyses of the spatial-temporal distribution of diffuse pollution in agricultural regions are essential to the sustained management of water resources. Although nutrients, such as phosphorus fertilizers, can promote crop growth while improving soil fertility, excessive nutrient inputs can produce diffuse pollution, which may results in water quality degradation. The objective of this paper is to employ the SWAT (Soil and Water Assessment Tool) to estimate diffuse P effects on temporal and spatial distributions for a typical agricultural watershed and to identify the conjunct and independent influences of long-term land use and soil properties variation on diffuse P. With the validated model, the four-period simulation results (from 1979 to 2009) indicate that land use changes from agricultural development increased diffuse P yields. However, regarding updated soil properties, no significant differences of P yield were found between 1979 and 2009, demonstrating that impact of the cropland expansion were naturalized with soil property variations. An F-test was employed to assess the essentiality of all of the variables examined during the simulation period, and the test results indicated that diffuse P loading was more sensitive to soil properties than to land use. Before the P pollution control project about the land use optimization planning, it is more effective to distinguish the impacts of land use and soil properties. Copyright © 2016 Elsevier B.V. All rights reserved.

Numerical simulation model of hyperacute/acute stage white matter infarction.

PubMed

Sakai, Koji; Yamada, Kei; Oouchi, Hiroyuki; Nishimura, Tsunehiko

2008-01-01

Although previous studies have revealed the mechanisms of changes in diffusivity (apparent diffusion coefficient [ADC]) in acute brain infarction, changes in diffusion anisotropy (fractional anisotropy [FA]) in white matter have not been examined. We hypothesized that membrane permeability as well as axonal swelling play important roles, and we therefore constructed a simulation model using random walk simulation to replicate the diffusion of water molecules. We implemented a numerical diffusion simulation model of normal and infarcted human brains using C++ language. We constructed this 2-pool model using simple tubes aligned in a single direction. Random walk simulation diffused water. Axon diameters and membrane permeability were then altered in step-wise fashion. To estimate the effects of axonal swelling, axon diameters were changed from 6 to 10 microm. Membrane permeability was altered from 0% to 40%. Finally, both elements were combined to explain increasing FA in the hyperacute stage of white matter infarction. The simulation demonstrated that simple water shift into the intracellular space reduces ADC and increases FA, but not to the extent expected from actual human cases (ADC approximately 50%; FA approximately +20%). Similarly, membrane permeability alone was insufficient to explain this phenomenon. However, a combination of both factors successfully replicated changes in diffusivity indices. Both axonal swelling and reduced membrane permeability appear important in explaining changes in ADC and FA based on eigenvalues in hyperacute-stage white matter infarction.

Double-diffusive instabilities in ancient seawater

NASA Astrophysics Data System (ADS)

Pawlowicz, Rich; Scheifele, Ben; Zaloga, Artem; Wuest, Alfred; Sommer, Tobias

2015-04-01

Powell Lake, British Columbia, Canada is a geothermally heated lake about 350m deep with a saline lower layer that was isolated from the ocean by coastal uplift about 11000 years ago, after the last ice age. Careful temperature and conductivity profiling measurements show consistent, stable, and spatially/temporally coherent steps resulting from double-diffusive processes in certain ranges of depth, vertically interspersed with other depth ranges where these signatures are not present. These features are quasi-stable for at least several years. Although molecular diffusion has removed about half the salt from the deepest waters and biogeochemical processes have slightly modified the water composition, the lack of tidal processes and shear-driven mixing, as well as an accurate estimate of heat flux from both sediment heat flux measurements and gradient measurements in a region not susceptible to diffusive instabilities, makes this a unique geophysical laboratory to study double diffusion. Here we present a detailed picture of the structure of Powell Lake and its double-diffusive stair cases, and suggest shortcomings with existing parameterizations for fluxes through such staircases.

Water-vapor pressure control in a volume

NASA Technical Reports Server (NTRS)

Scialdone, J. J.

1978-01-01

The variation with time of the partial pressure of water in a volume that has openings to the outside environment and includes vapor sources was evaluated as a function of the purging flow and its vapor content. Experimental tests to estimate the diffusion of ambient humidity through openings and to validate calculated results were included. The purging flows required to produce and maintain a certain humidity in shipping containers, storage rooms, and clean rooms can be estimated with the relationship developed here. These purging flows are necessary to prevent the contamination, degradation, and other effects of water vapor on the systems inside these volumes.

Vapor-phase interactions and diffusion of organic solvents in the unsaturated zone

USGS Publications Warehouse

Roy, W.R.; Griffin, R.A.

1990-01-01

This article presents an analysis of the interactions and static movement of 37 organic solvents as vapors through the unsaturated soil zone. The physicochemical interactions of the organic vapors with unsaturated soil materials were emphasized with focus on diffusive, and adsorptive interactions. Fick's Law and porous media diffusion coefficients for most of the solvent vapors were either compiled or estimated; coefficients were not available for some of the fluorinated solvents. The adsorption of some of the solvent vapors by silica was concluded to be due to hydrogen bond formation with surface silanol groups. Heats of adsorption data for different adsorbents were also compiled. There were very few data on the adsorption of these solvent vapors by soils, but it appears that the magnitude of adsorption of nonpolar solvents is reduced as the relative humidity of the vapor-solid system is increased. Consequently, the interaction of the vapors may then separated into two processes; (1) gas-water partitioning described by Henry's Law constants, and (2) solid-water adsorption coefficients which may be estimated from liquid-solid partition coefficients (Kd values). ?? 1990 Springer-Verlag New York Inc.

Biophysical mechanisms of trichloroethene uptake and loss in baldcypress growing in shallow contaminated groundwater

USGS Publications Warehouse

Nietch, C.T.; Morris, J.T.; Vroblesky, D.A.

1999-01-01

Wetland vegetation may be useful in the remediation of shallow contaminated aquifers. Mesocosm experiments were conducted to describe the regulatory mechanisms affecting trichloroethene (TCE) removal rates from groundwater by flood-adapted wetland trees at a contaminated site. TCE flux through baldcypress [Taxodium distichum (L) Rich] seedlings grown in glass- carboys decreased from day to night and from August to December. The diel fluctuation coincided with changes in leaf-level physiology, as the daytime flux was significantly correlated with net photosynthesis but not with respiration at night. A decrease in seedling water use from summer to winter explained the large seasonal difference in TCE flux. A simple model that simulates gas-phase diffusion through aerenchyma tested the importance of diffusion of TCE vapor from roots to the stem. The modeled diffusive flux was within 64% of the observed value during the winter but could only explain 8% of the summer flux. Seedling water use was a good estimator of flux during the summer. Hence, evapotranspiration (ET) in the summer may serve as a good predictor for the potential of TCE removal by baldcypress trees, while diffusive flux may better approximate potential contaminant loss in the winter.Wetland vegetation may be useful in the remediation of shallow contaminated aquifers. Mesocosm experiments were conducted to describe the regulatory mechanisms affecting trichloroethene (TCE) removal rates from groundwater by flood-adapted wetland trees at a contaminated site. TCE flux through baldcypress [Taxodium distichum (L) Rich] seedlings grown in glass-carboys decreased from day to night and from August to December. The diel fluctuation coincided with changes in leaf-level physiology, as the daytime flux was significantly correlated with net photosynthesis but not with respiration at night. A decrease in seedling water use from summer to winter explained the large seasonal difference in TCE flux. A simple model that simulates gas-phase diffusion through aerenchyma tested the importance of diffusion of TCE vapor from roots to the stem. The modeled diffusive flux was within 64% of the observed value during the winter but could only explain 8% of the summer flux. Seedling water use was a good estimator of flux during the summer. Hence, evapotranspiration (ET) in the summer may serve as a good predictor for the potential of TCE removal by baldcypress trees, while diffusive flux may better approximate potential contaminant loss in the winter.

Testing conceptual and physically based soil hydrology schemes against observations for the Amazon Basin

NASA Astrophysics Data System (ADS)

Guimberteau, M.; Ducharne, A.; Ciais, P.; Boisier, J. P.; Peng, S.; De Weirdt, M.; Verbeeck, H.

2014-06-01

This study analyzes the performance of the two soil hydrology schemes of the land surface model ORCHIDEE in estimating Amazonian hydrology and phenology for five major sub-basins (Xingu, Tapajós, Madeira, Solimões and Negro), during the 29-year period 1980-2008. A simple 2-layer scheme with a bucket topped by an evaporative layer is compared to an 11-layer diffusion scheme. The soil schemes are coupled with a river routing module and a process model of plant physiology, phenology and carbon dynamics. The simulated water budget and vegetation functioning components are compared with several data sets at sub-basin scale. The use of the 11-layer soil diffusion scheme does not significantly change the Amazonian water budget simulation when compared to the 2-layer soil scheme (+3.1 and -3.0% in evapotranspiration and river discharge, respectively). However, the higher water-holding capacity of the soil and the physically based representation of runoff and drainage in the 11-layer soil diffusion scheme result in more dynamic soil water storage variation and improved simulation of the total terrestrial water storage when compared to GRACE satellite estimates. The greater soil water storage within the 11-layer scheme also results in increased dry-season evapotranspiration (+0.5 mm d-1, +17%) and improves river discharge simulation in the southeastern sub-basins such as the Xingu. Evapotranspiration over this sub-basin is sustained during the whole dry season with the 11-layer soil diffusion scheme, whereas the 2-layer scheme limits it after only 2 dry months. Lower plant drought stress simulated by the 11-layer soil diffusion scheme leads to better simulation of the seasonal cycle of photosynthesis (GPP) when compared to a GPP data-driven model based on eddy covariance and satellite greenness measurements. A dry-season length between 4 and 7 months over the entire Amazon Basin is found to be critical in distinguishing differences in hydrological feedbacks between the soil and the vegetation cover simulated by the two soil schemes. On average, the multilayer soil diffusion scheme provides little improvement in simulated hydrology over the wet tropical Amazonian sub-basins, but a more significant improvement is found over the drier sub-basins. The use of a multilayer soil diffusion scheme might become critical for assessments of future hydrological changes, especially in southern regions of the Amazon Basin where longer dry seasons and more severe droughts are expected in the next century.

Ultrasonic monitoring of spontaneous imbibition experiments: Precursory moisture diffusion effects ahead of water front

NASA Astrophysics Data System (ADS)

David, Christian; Sarout, Joël.; Dautriat, Jérémie; Pimienta, Lucas; Michée, Marie; Desrues, Mathilde; Barnes, Christophe

2017-07-01

Fluid substitution processes have been investigated in the laboratory on 14 carbonate and siliciclastic reservoir rock analogues through spontaneous imbibition experiments on vertical cylindrical specimens with simultaneous ultrasonic monitoring and imaging. The motivation of our study was to identify the seismic attributes of fluid substitution in reservoir rocks and to link them to physical processes. It is shown that (i) the P wave velocity either decreases or increases when the capillary front reaches the Fresnel clearance zone, (ii) the P wave amplitude is systematically impacted earlier than the velocity is, (iii) this precursory amplitude decrease occurs when the imbibition front is located outside of the Fresnel zone, and (iv) the relative variation of the P wave amplitude is always much larger than that of the P wave velocity. These results suggest that moisture diffuses into the pore space ahead of the water front. This postulate is further supported by a quantitative analysis of the time evolution of the observed P wave amplitudes. In a sense, P wave amplitude acts as a precursor of the arrival of the capillary front. This phenomenon is used to estimate the effective diffusivity of moisture in the tested rocks. The effective moisture diffusivity estimated from the ultrasonic data is strongly correlated with permeability: a power law with exponent 0.96 predicts permeability from ultrasonic monitoring within a factor 3 without noticeable bias. When the effective diffusivity is high, moisture diffusion affects ultrasonic P wave attributes even before the imbibition starts and impacts the P wave reflectivity as evidenced by the variations recorded in the waveform coda.

Integration of experimental and computational methods for identifying geometric, thermal and diffusive properties of biomaterials

NASA Astrophysics Data System (ADS)

Weres, Jerzy; Kujawa, Sebastian; Olek, Wiesław; Czajkowski, Łukasz

2016-04-01

Knowledge of physical properties of biomaterials is important in understanding and designing agri-food and wood processing industries. In the study presented in this paper computational methods were developed and combined with experiments to enhance identification of agri-food and forest product properties, and to predict heat and water transport in such products. They were based on the finite element model of heat and water transport and supplemented with experimental data. Algorithms were proposed for image processing, geometry meshing, and inverse/direct finite element modelling. The resulting software system was composed of integrated subsystems for 3D geometry data acquisition and mesh generation, for 3D geometry modelling and visualization, and for inverse/direct problem computations for the heat and water transport processes. Auxiliary packages were developed to assess performance, accuracy and unification of data access. The software was validated by identifying selected properties and using the estimated values to predict the examined processes, and then comparing predictions to experimental data. The geometry, thermal conductivity, specific heat, coefficient of water diffusion, equilibrium water content and convective heat and water transfer coefficients in the boundary layer were analysed. The estimated values, used as an input for simulation of the examined processes, enabled reduction in the uncertainty associated with predictions.

Evaluation of volatilization as a natural attenuation pathway for MTBE

USGS Publications Warehouse

Lahvis, Matthew A.; Baehr, Arthur L.; Baker, Ronald J.

2004-01-01

Volatilization and diffusion through the unsaturated zone can be an important pathway for natural attenuation remediation of methyl tert-butyl ether (MTBE) at gasoline spill sites. The significance of this pathway depends primarily on the distribution of immiscible product within the unsaturated zone and the relative magnitude of aqueous-phase advection (ground water recharge) to gaseous-phase diffusion. At a gasoline spill site in Laurel Bay, South Carolina, rates of MTBE volatilization from ground water downgradient from the source are estimated by analyzing the distribution of MTBE in the unsaturated zone above a solute plume. Volatilization rates of MTBE from ground water determined by transport modeling ranged from 0.0020 to 0.0042 g m-2/year, depending on the assumed rate of ground water recharge. Although diffusive conditions at the Laurel Bay site are favorable for volatilization, mass loss of MTBE is insignificant over the length (230 m) of the solute plume. Based on this analysis, significant volatilization of MTBE from ground water downgradient from source areas at other sites is not likely. In contrast, model results indicate that volatilization coupled with diffusion to the atmosphere could be a significant mass loss pathway for MTBE in source areas where residual product resides above the capillary zone. Although not documented, mass loss of MTBE at the Laurel Bay site due to volatilization and diffusion to the atmosphere are predicted to be two to three times greater than mass loading of MTBE to ground water due to dissolution and recharge. This result would imply that volatilization in the source zone may be the critical natural attenuation pathway for MTBE at gasoline spill sites, especially when considering capillary zone limitations on volatilization of MTBE from ground water and the relative recalcitrance of MTBE to biodegradation.

Hydraulic Conductivity Calibration of Logging NMR in a Granite Aquifer, Laramie Range, Wyoming.

PubMed

Ren, Shuangpo; Parsekian, Andrew D; Zhang, Ye; Carr, Bradley J

2018-05-15

In granite aquifers, fractures can provide both storage volume and conduits for groundwater. Characterization of fracture hydraulic conductivity (K) in such aquifers is important for predicting flow rate and calibrating models. Nuclear magnetic resonance (NMR) well logging is a method to quickly obtain near-borehole hydraulic conductivity (i.e., K NMR ) at high-vertical resolution. On the other hand, FLUTe flexible liner technology can produce a K profile at comparable resolution but requires a fluid driving force between borehole and formation. For three boreholes completed in a fractured granite, we jointly interpreted logging NMR data and FLUTe K estimates to calibrate an empirical equation for translating borehole NMR data to K estimates. For over 90% of the depth intervals investigated from these boreholes, the estimated K NMR are within one order of magnitude of K FLUTe . The empirical parameters obtained from calibrating the NMR data suggest that "intermediate diffusion" and/or "slow diffusion" during the NMR relaxation time may occur in the flowing fractures when hydraulic aperture are sufficiently large. For each borehole, "intermediate diffusion" dominates the relaxation time, therefore assuming "fast diffusion" in the interpretation of NMR data from fractured rock may lead to inaccurate K NMR estimates. We also compare calibrations using inexpensive slug tests that suggest reliable K NMR estimates for fractured rock may be achieved using limited calibration against borehole hydraulic measurements. © 2018, National Ground Water Association.

Macroscopic modeling for heat and water vapor transfer in dry snow by homogenization.

PubMed

Calonne, Neige; Geindreau, Christian; Flin, Frédéric

2014-11-26

Dry snow metamorphism, involved in several topics related to cryospheric sciences, is mainly linked to heat and water vapor transfers through snow including sublimation and deposition at the ice-pore interface. In this paper, the macroscopic equivalent modeling of heat and water vapor transfers through a snow layer was derived from the physics at the pore scale using the homogenization of multiple scale expansions. The microscopic phenomena under consideration are heat conduction, vapor diffusion, sublimation, and deposition. The obtained macroscopic equivalent model is described by two coupled transient diffusion equations including a source term arising from phase change at the pore scale. By dimensional analysis, it was shown that the influence of such source terms on the overall transfers can generally not be neglected, except typically under small temperature gradients. The precision and the robustness of the proposed macroscopic modeling were illustrated through 2D numerical simulations. Finally, the effective vapor diffusion tensor arising in the macroscopic modeling was computed on 3D images of snow. The self-consistent formula offers a good estimate of the effective diffusion coefficient with respect to the snow density, within an average relative error of 10%. Our results confirm recent work that the effective vapor diffusion is not enhanced in snow.

Predicting First Traversal Times for Virions and Nanoparticles in Mucus with Slowed Diffusion

PubMed Central

Erickson, Austen M.; Henry, Bruce I.; Murray, John M.; Klasse, Per Johan; Angstmann, Christopher N.

2015-01-01

Particle-tracking experiments focusing on virions or nanoparticles in mucus have measured mean-square displacements and reported diffusion coefficients that are orders of magnitude smaller than the diffusion coefficients of such particles in water. Accurate description of this subdiffusion is important to properly estimate the likelihood of virions traversing the mucus boundary layer and infecting cells in the epithelium. However, there are several candidate models for diffusion that can fit experimental measurements of mean-square displacements. We show that these models yield very different estimates for the time taken for subdiffusive virions to traverse through a mucus layer. We explain why fits of subdiffusive mean-square displacements to standard diffusion models may be misleading. Relevant to human immunodeficiency virus infection, using computational methods for fractional subdiffusion, we show that subdiffusion in normal acidic mucus provides a more effective barrier against infection than previously thought. By contrast, the neutralization of the mucus by alkaline semen, after sexual intercourse, allows virions to cross the mucus layer and reach the epithelium in a short timeframe. The computed barrier protection from fractional subdiffusion is some orders of magnitude greater than that derived by fitting standard models of diffusion to subdiffusive data. PMID:26153713

Linear model describing three components of flow in karst aquifers using 18O data

USGS Publications Warehouse

Long, Andrew J.; Putnam, L.D.

2004-01-01

The stable isotope of oxygen, 18O, is used as a naturally occurring ground-water tracer. Time-series data for ??18O are analyzed to model the distinct responses and relative proportions of the conduit, intermediate, and diffuse flow components in karst aquifers. This analysis also describes mathematically the dynamics of the transient fluid interchange between conduits and diffusive networks. Conduit and intermediate flow are described by linear-systems methods, whereas diffuse flow is described by mass-balance methods. An automated optimization process estimates parameters of lognormal, Pearson type III, and gamma distributions, which are used as transfer functions in linear-systems analysis. Diffuse flow and mixing parameters also are estimated by these optimization methods. Results indicate the relative proximity of a well to a main conduit flowpath and can help to predict the movement and residence times of potential contaminants. The three-component linear model is applied to five wells, which respond to changes in the isotopic composition of point recharge water from a sinking stream in the Madison aquifer in the Black Hills of South Dakota. Flow velocities as much as 540 m/d and system memories of as much as 71 years are estimated by this method. Also, the mean, median, and standard deviation of traveltimes; time to peak response; and the relative fraction of flow for each of the three components are determined for these wells. This analysis infers that flow may branch apart and rejoin as a result of an anastomotic (or channeled) karst network.

Water permeability of acinar cell membranes in the isolated perfused rabbit mandibular salivary gland.

PubMed Central

Steward, M C; Seo, Y; Rawlings, J M; Case, R M

1990-01-01

1. The diffusive water permeability of epithelial cell membranes in the perfused rabbit mandibular salivary gland was measured at 37 degrees C by a 1H nuclear magnetic resonance relaxation method using an extracellular relaxation reagent, gadolinium diethylenetriaminepentaacetic acid (Gd(DTPA)). 2. In glands perfused with a HEPES-buffered solution containing 10 mmol l-1 Gd(DTPA), the spin-lattice (T1) relaxation of the water protons showed two exponential components. The water compartment responsible for the slower component corresponded in magnitude to 71 +/- 5% of the wet weight of the gland, and was attributed to the exchangeable intracellular water of the acinar cells. 3. The rate constant for water efflux from the cells was estimated to be 4.1 +/- 0.1 s-1 which would be consistent with a diffusive membrane permeability (Pd) of approximately 3 x 10(-3) cm s-1. Stimulation with acetylcholine (10(-6) mol l-1) did not cause any detectable change in membrane water permeability. 4. Since the basolateral membrane probably provides the main pathway for water efflux, the osmotic water permeability of this barrier (expressed per gland) was estimated to be less than 6.2 cm3 s-1. This would be insufficient to account for the generation of a near-isosmotic fluid at the flow rates observed during secretion, and suggests that a substantial fraction of the flow of water occurs via a paracellular route. PMID:1966053

Stem water storage in five coexisting temperate broad-leaved tree species: significance, temporal dynamics and dependence on tree functional traits.

PubMed

Köcher, Paul; Horna, Viviana; Leuschner, Christoph

2013-08-01

The functional role of internal water storage is increasingly well understood in tropical trees and conifers, while temperate broad-leaved trees have only rarely been studied. We examined the magnitude and dynamics of the use of stem water reserves for transpiration in five coexisting temperate broad-leaved trees with largely different morphology and physiology (genera Fagus, Fraxinus, Tilia, Carpinus and Acer). We expected that differences in water storage patterns would mostly reflect species differences in wood anatomy (ring vs. diffuse-porous) and wood density. Sap flux density was recorded synchronously at five positions along the root-to-branch flow path of mature trees (roots, three stem positions and branches) with high temporal resolution (2 min) and related to stem radius changes recorded with electronic point dendrometers. The daily amount of stored stem water withdrawn for transpiration was estimated by comparing the integrated flow at stem base and stem top. The temporal coincidence of flows at different positions and apparent time lags were examined by cross-correlation analysis. Our results confirm that internal water stores play an important role in the four diffuse-porous species with estimated 5-12 kg day(-1) being withdrawn on average in 25-28 m tall trees representing 10-22% of daily transpiration; in contrast, only 0.5-2.0 kg day(-1) was withdrawn in ring-porous Fraxinus. Wood density had a large influence on storage; sapwood area (diffuse- vs. ring-porous) may be another influential factor but its effect was not significant. Across the five species, the length of the time lag in flow at stem top and stem base was positively related to the size of stem storage. The stem stores were mostly exhausted when the soil matrix potential dropped below -0.1 MPa and daily mean vapor pressure deficit exceeded 3-5 hPa. We conclude that stem storage is an important factor improving the water balance of diffuse-porous temperate broad-leaved trees in moist periods, while it may be of low relevance in dry periods and in ring-porous species.

H ATOM IRRADIATION OF CARBON GRAINS UNDER SIMULATED DENSE INTERSTELLAR MEDIUM CONDITIONS: THE EVOLUTION OF ORGANICS FROM DIFFUSE INTERSTELLAR CLOUDS TO THE SOLAR SYSTEM

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mennella, Vito, E-mail: mennella@na.astro.i

2010-08-01

We present the results of experiments aimed at studying the interaction of hydrogen atoms at 80 K with carbon grains covered with a water ice layer at 12 K. The effects of H processing have been analyzed, using IR spectroscopy, as a function of the water ice layer. The results confirm that exposure of the samples to H atoms induces the activation of the band at 3.47 {mu}m with no evidence for the formation of aromatic and aliphatic C-H bonds in the CH{sub 2} and CH{sub 3} functional groups. The formation cross section of the 3.47 {mu}m band has beenmore » estimated from the increase of its integrated optical depth as a function of the H atom fluence. The cross section decreases with increasing thickness of the water ice layer, indicating an increase of adsorption of H atoms in the water ice layer. A penetration depth of 100 nm has been estimated for H atoms in the porous water ice covering carbon grains. Sample warm-up at room temperature causes the activation of the IR features due to the vibrations of the CH{sub 2} and CH{sub 3} aliphatic functional groups. The evolution of the 3.47 {mu}m band carrier has been evaluated for dense and diffuse interstellar clouds, using the estimated formation cross section and assuming that the destruction cross section by energetic processing is the same as that derived for the 3.4 {mu}m band. In both environments, the presence of the 3.47 {mu}m band carrier is compatible with the evolutionary timescale limit imposed by fast cycling of materials between dense and diffuse regions of the interstellar medium. In diffuse regions the formation of the CH{sub 2} and CH{sub 3} aliphatic bands, inhibited in dense regions, takes place, masking the 3.47 {mu}m band. The activation of the CH{sub 2} and CH{sub 3} aliphatic vibrational modes at the end of H processing after sample warm-up represents the first experimental evidence supporting an evolutionary connection between the interstellar carbon grain population, which is responsible for the 3.4 {mu}m band (diffuse regions) and contributes to the absorption at 3.47 {mu}m (dense regions), and the organics observed in interplanetary dust particles and cometary Stardust grains.« less

[Factors affecting benzene diffusion from contaminated soils to the atmosphere and flux characteristics].

PubMed

Du, Ping; Wang, Shi-Jie; Zhao, Huan-Huan; Wu, Bin; Han, Chun-Mei; Fang, Ji-Dun; Li, Hui-Ying; Hosomi, Masaaki; Li, Fa-Sheng

2013-12-01

The influencing factors of benzene diffusion fluxes from sand and black soil to atmosphere were investigated using a flux chamber (30.0 cm x 17.5 cm x 29.0 cm). In this study, the benzene diffusion fluxes were estimated by measuring the benzene concentrations both in the headspace of the chamber and in the soils of different layers. The results indicated that the soil water content played an important role in benzene diffusion fluxes. The diffusion flux showed positive correlation with the initial benzene concentration and the benzene dissolution concentration for both soil types. The changes of air flow rate from 300 to 900 mL x min(-1) and temperature from 20 degrees C to 40 degrees C resulted in increases of the benzene diffusion flux. Our study of benzene diffusion fluxes from contaminated soils will be beneficial for the predicting model, and emergency management and precautions.

The combined use of MODFLOW and precipitation-runoff modeling to simulate groundwater flow in a diffuse-pollution prone watershed.

PubMed

Elçi, A; Karadaş, D; Fistikoğlu, O

2010-01-01

A numerical modeling case study of groundwater flow in a diffuse pollution prone area is presented. The study area is located within the metropolitan borders of the city of Izmir, Turkey. This groundwater flow model was unconventional in the application since the groundwater recharge parameter in the model was estimated using a lumped, transient water-budget based precipitation-runoff model that was executed independent of the groundwater flow model. The recharge rate obtained from the calibrated precipitation-runoff model was used as input to the groundwater flow model, which was eventually calibrated to measured water table elevations. Overall, the flow model results were consistent with field observations and model statistics were satisfactory. Water budget results of the model revealed that groundwater recharge comprised about 20% of the total water input for the entire study area. Recharge was the second largest component in the budget after leakage from streams into the subsurface. It was concluded that the modeling results can be further used as input for contaminant transport modeling studies in order to evaluate the vulnerability of water resources of the study area to diffuse pollution.

Fast estimation of diffusion tensors under Rician noise by the EM algorithm.

PubMed

Liu, Jia; Gasbarra, Dario; Railavo, Juha

2016-01-15

Diffusion tensor imaging (DTI) is widely used to characterize, in vivo, the white matter of the central nerve system (CNS). This biological tissue contains much anatomic, structural and orientational information of fibers in human brain. Spectral data from the displacement distribution of water molecules located in the brain tissue are collected by a magnetic resonance scanner and acquired in the Fourier domain. After the Fourier inversion, the noise distribution is Gaussian in both real and imaginary parts and, as a consequence, the recorded magnitude data are corrupted by Rician noise. Statistical estimation of diffusion leads a non-linear regression problem. In this paper, we present a fast computational method for maximum likelihood estimation (MLE) of diffusivities under the Rician noise model based on the expectation maximization (EM) algorithm. By using data augmentation, we are able to transform a non-linear regression problem into the generalized linear modeling framework, reducing dramatically the computational cost. The Fisher-scoring method is used for achieving fast convergence of the tensor parameter. The new method is implemented and applied using both synthetic and real data in a wide range of b-amplitudes up to 14,000s/mm(2). Higher accuracy and precision of the Rician estimates are achieved compared with other log-normal based methods. In addition, we extend the maximum likelihood (ML) framework to the maximum a posteriori (MAP) estimation in DTI under the aforementioned scheme by specifying the priors. We will describe how close numerically are the estimators of model parameters obtained through MLE and MAP estimation. Copyright © 2015 Elsevier B.V. All rights reserved.

Diffusion heterogeneity tensor MRI (?-Dti): mathematics and initial applications in spinal cord regeneration after trauma - biomed 2009.

PubMed

Ellington, Benjamin M; Schmit, Brian D; Gourab, Krishnaj; Sieber-Blum, Maya; Hu, Yao F; Schmainda, Kathleen M

2009-01-01

Diffusion weighted magnetic resonance imaging (DWI) is a powerful tool for evaluation of microstructural anomalies in numerous central nervous system pathologies. Diffusion tensor imaging (DTI) allows for the magnitude and direction of water self diffusion to be estimated by sampling the apparent diffusion coefficient (ADC) in various directions. Clinical DWI and DTI performed at a single level of diffusion weighting, however, does not allow for multiple diffusion compartments to be elicited. Furthermore, assumptions made regarding the precise number of diffusion compartments intrinsic to the tissue of interest have resulted in a lack of consensus between investigations. To overcome these challenges, a stretched-exponential model of diffusion was applied to examine the diffusion coefficient and "heterogeneity index" within highly compartmentalized brain tumors. The purpose of the current study is to expand on the stretched-exponential model of diffusion to include directionality of both diffusion heterogeneity and apparent diffusion coefficient. This study develops the mathematics of this new technique along with an initial application in quantifying spinal cord regeneration following acute injection of epidermal neural crest stem cell (EPI-NCSC) grafts.

Heat tracer methods

USGS Publications Warehouse

Healy, Richard W.; Scanlon, Bridget R.

2010-01-01

The flow of heat in the subsurface is closely linked to the movement of water (Ingebritsen et al., 2006). As such, heat has been used as a tracer in groundwater studies for more than 100 years (Anderson, 2005). As with chemical and isotopic tracers (Chapter 7), spatial or temporal trends in surface and subsurface temperatures can be used to infer rates of water movement. Temperature can be measured accurately, economically, at high frequencies, and without the need to obtain water samples, facts that make heat an attractive tracer. Temperature measurements made over space and time can be used to infer rates of recharge from a stream or other surface water body (Lapham, 1989; Stonestrom and Constantz, 2003); measurements can also be used to estimate rates of steady drainage through depth intervals within thick unsaturated zones (Constantz et al., 2003; Shan and Bodvarsson, 2004). Several thorough reviews of heat as a tracer in hydrologic studies have recently been published (Constantz et al., 2003; Stonestrom and Constantz, 2003; Anderson, 2005; Blasch et al., 2007; Constantz et al., 2008). This chapter summarizes heat-tracer approaches that have been used to estimate recharge.Some clarification in terminology is presented here to avoid confusion in descriptions of the various approaches that follow. Diffuse recharge is that which occurs more or less uniformly across large areas in response to precipitation, infiltration, and drainage through the unsaturated zone. Estimates of diffuse recharge determined using measured temperatures in the unsaturated zone are referred to as potential recharge because it is possible that not all of the water moving through the unsaturated zone will recharge the aquifer; some may be lost to the atmosphere by evaporation or plant transpiration. Estimated fluxes across confining units in the saturated zone are referred to as interaquifer flow (Chapter 1). Focused recharge is that which occurs directly from a point or line source, such as a stream, on land surface. Focused recharge may vary widely in space and time. If the water table intersects a stream channel, estimates of stream loss are called actual recharge, or just recharge. If the water table lies below the stream channel, estimates are referred to as potential recharge. For simplicity, all vertical water fluxes are referred to as drainage throughout this chapter. Whether the estimated quantity represents actual or potential recharge or drainage depends on the circumstances of each individual study.

Trapped bubbles keep pumice afloat and gas diffusion makes pumice sink

NASA Astrophysics Data System (ADS)

Fauria, Kristen E.; Manga, Michael; Wei, Zihan

2017-02-01

Pumice can float on water for months to years - long enough for pumice to travel across oceans and facilitate the spread of species. Long-lived pumice floatation is unexpected, however, because pumice pores are highly connected and water wets volcanic glass. As a result, observations of long floating times have not been reconciled with predictions of rapid sinking. We propose a mechanism to resolve this paradox - the trapping of gas bubbles by water within the pumice. Gas trapping refers to the isolation of gas by water within pore throats such that the gas becomes disconnected from the atmosphere and unable to escape. We use X-ray microtomography to image partially saturated pumice and demonstrate that non-condensable gas trapping occurs in both ambient temperature and hot (500 °C) pumice. Furthermore, we show that the size distribution of trapped gas clusters matches predictions of percolation theory. Finally, we propose that diffusion of trapped gas determines pumice floatation time. Experimental measurements of pumice floatation support a diffusion control on pumice buoyancy and we find that floatation time τ scales as τ ∝ L2/Dθ2 where L is the characteristic length of pumice, D is the gas-water diffusion coefficient, and θ is pumice water saturation. A mechanistic understanding of pumice floatation is a step towards understanding how pumice is partitioned into floating and sinking components and provides an estimate for the lifetime of pumice rafts in the ocean.

Ocean Lidar Measurements of Beam Attenuation and a Roadmap to Accurate Phytoplankton Biomass Estimates

NASA Astrophysics Data System (ADS)

Hu, Yongxiang; Behrenfeld, Mike; Hostetler, Chris; Pelon, Jacques; Trepte, Charles; Hair, John; Slade, Wayne; Cetinic, Ivona; Vaughan, Mark; Lu, Xiaomei; Zhai, Pengwang; Weimer, Carl; Winker, David; Verhappen, Carolus C.; Butler, Carolyn; Liu, Zhaoyan; Hunt, Bill; Omar, Ali; Rodier, Sharon; Lifermann, Anne; Josset, Damien; Hou, Weilin; MacDonnell, David; Rhew, Ray

2016-06-01

Beam attenuation coefficient, c, provides an important optical index of plankton standing stocks, such as phytoplankton biomass and total particulate carbon concentration. Unfortunately, c has proven difficult to quantify through remote sensing. Here, we introduce an innovative approach for estimating c using lidar depolarization measurements and diffuse attenuation coefficients from ocean color products or lidar measurements of Brillouin scattering. The new approach is based on a theoretical formula established from Monte Carlo simulations that links the depolarization ratio of sea water to the ratio of diffuse attenuation Kd and beam attenuation C (i.e., a multiple scattering factor). On July 17, 2014, the CALIPSO satellite was tilted 30° off-nadir for one nighttime orbit in order to minimize ocean surface backscatter and demonstrate the lidar ocean subsurface measurement concept from space. Depolarization ratios of ocean subsurface backscatter are measured accurately. Beam attenuation coefficients computed from the depolarization ratio measurements compare well with empirical estimates from ocean color measurements. We further verify the beam attenuation coefficient retrievals using aircraft-based high spectral resolution lidar (HSRL) data that are collocated with in-water optical measurements.

Evaporation, diffusion and self-assembly at drying interfaces.

PubMed

Roger, K; Sparr, E; Wennerström, H

2018-04-18

Water evaporation from complex aqueous solutions leads to the build-up of structure and composition gradients at their interface with air. We recently introduced an experimental setup for quantitatively studying such gradients and discussed how structure formation can lead to a self-regulation mechanism for controlling water evaporation through self-assembly. Here, we provide a detailed theoretical analysis using an advection/diffusion transport equation that takes into account thermodynamically non-ideal conditions and we directly relate the theoretical description to quantitative experimental data. We derive that the concentration profile develops according to a general square root of time scaling law, which fully agrees with experimental observations. The evaporation rate notably decreases with time as t-1/2, which shows that diffusion in the liquid phase is the rate limiting step for this system, in contrast to pure water evaporation. For the particular binary system that was investigated experimentally, which is composed of water and a sugar-based surfactant (α-dodecylmaltoside), the interfacial layer consists in a sequence of liquid crystalline phases of different mesostructures. We extract values for mutual diffusion coefficients of lamellar, hexagonal and micellar cubic phases, which are consistent with previously reported values and simple models. We thus provide a method to estimate the transport properties of oriented mesophases. The macroscopic humidity-independence of the evaporation rate up to 85% relative humidities is shown to result from both an extremely low mutual diffusion coefficient and the large range of water activities corresponding to relative humidities below 85%, at which the lamellar phase exists. Such a humidity self-regulation mechanism is expected for a large variety of complex system.

Entrainment and mixing of shelf/slope waters in the near-surface Gulf Stream

NASA Astrophysics Data System (ADS)

Lillibridge, J. L., III; Hitchcock, G.; Rossby, T.; Lessard, E.; Mork, M.; Golmen, L.

1990-08-01

An interdisciplinary study of the entrainment of shelf and slope waters in the Gulf Stream front was undertaken in October 1985 northeast of Cape Hatteras. Fifteen hydrographic transects of the Gulf Stream front and of the shelf water intrusion known as Ford water were completed in 2 1/2 days with a towed undulating profiler, the SeaSoar, equipped with a conductivity-temperature-depth probe and a fluorometer. Upstream sections within 50 km of the shelf break show entrainment of surface and subsurface waters along the northern edge of the high-velocity Gulf Stream. The low-salinity core, first observed at 70 m, is subducted to >100 m. The subsurface Ford water is also at a maximum in chlorophyll, fluorescence, and dissolved oxygen and contains a distinct diatom assemblage of nearshore species. Productivity rates in the Ford water may be equivalent to those in slope waters. Expendable current profilers yield an estimated transport for subsurface shelf waters of 1 to 5×105 m3 s-1 and indicate that vertical shear at the depth of maximum static stability is typically 2×10-2 s-1. A bulk Richardson number is estimated over vertical scales of several meters by combining SeaSoar density profiles with velocity shear from concurrent expendable current profiler deployments. The minimum values are generally >1, and only infrequently are they at or below the 0.25 threshold for shear instability. The presence of double-diffusive processes around the low-salinity core of Ford water is indicated by elevated conductivity Cox numbers. The stability parameter "Turner angle" shows that low-salinity Ford water and its associated T-S property front are sites of double-diffusive mixing, given general agreement between the distributions of Turner angle and Cox number. We conclude that double-diffusive processes are more important than shear flow instability in governing cross-isopycnal mixing. However, downstream transit times are so swift that no measurable change or decay occurs in the Ford water. This explains the occurrence of distinct shelf water phytoplankton species within the low-salinity waters downstream of Cape Hatteras.

Global Ocean Circulation in Thermohaline Coordinates and Small-scale and Mesoscale mixing: An Inverse Estimate.

NASA Astrophysics Data System (ADS)

Groeskamp, S.; Zika, J. D.; McDougall, T. J.; Sloyan, B.

2016-02-01

I will present results of a new inverse technique that infers small-scale turbulent diffusivities and mesoscale eddy diffusivities from an ocean climatology of Salinity (S) and Temperature (T) in combination with surface freshwater and heat fluxes.First, the ocean circulation is represented in (S,T) coordinates, by the diathermohaline streamfunction. Framing the ocean circulation in (S,T) coordinates, isolates the component of the circulation that is directly related to water-mass transformation.Because water-mass transformation is directly related to fluxes of salt and heat, this framework allows for the formulation of an inverse method in which the diathermohaline streamfunction is balanced with known air-sea forcing and unknown mixing. When applying this inverse method to observations, we obtain observationally based estimates for both the streamfunction and the mixing. The results reveal new information about the component of the global ocean circulation due to water-mass transformation and its relation to surface freshwater and heat fluxes and small-scale and mesoscale mixing. The results provide global constraints on spatially varying patterns of diffusivities, in order to obtain a realistic overturning circulation. We find that mesoscale isopycnal mixing is much smaller than expected. These results are important for our understanding of the relation between global ocean circulation and mixing and may lead to improved parameterisations in numerical ocean models.

Estimation of Land Surface Fluxes and Their Uncertainty via Variational Data Assimilation Approach

NASA Astrophysics Data System (ADS)

Abdolghafoorian, A.; Farhadi, L.

2016-12-01

Accurate estimation of land surface heat and moisture fluxes as well as root zone soil moisture is crucial in various hydrological, meteorological, and agricultural applications. "In situ" measurements of these fluxes are costly and cannot be readily scaled to large areas relevant to weather and climate studies. Therefore, there is a need for techniques to make quantitative estimates of heat and moisture fluxes using land surface state variables. In this work, we applied a novel approach based on the variational data assimilation (VDA) methodology to estimate land surface fluxes and soil moisture profile from the land surface states. This study accounts for the strong linkage between terrestrial water and energy cycles by coupling the dual source energy balance equation with the water balance equation through the mass flux of evapotranspiration (ET). Heat diffusion and moisture diffusion into the column of soil are adjoined to the cost function as constraints. This coupling results in more accurate prediction of land surface heat and moisture fluxes and consequently soil moisture at multiple depths with high temporal frequency as required in many hydrological, environmental and agricultural applications. One of the key limitations of VDA technique is its tendency to be ill-posed, meaning that a continuum of possibilities exists for different parameters that produce essentially identical measurement-model misfit errors. On the other hand, the value of heat and moisture flux estimation to decision-making processes is limited if reasonable estimates of the corresponding uncertainty are not provided. In order to address these issues, in this research uncertainty analysis will be performed to estimate the uncertainty of retrieved fluxes and root zone soil moisture. The assimilation algorithm is tested with a series of experiments using a synthetic data set generated by the simultaneous heat and water (SHAW) model. We demonstrate the VDA performance by comparing the (synthetic) true measurements (including profile of soil moisture and temperature, land surface water and heat fluxes, and root water uptake) with VDA estimates. In addition, the feasibility of extending the proposed approach to use remote sensing observations is tested by limiting the number of LST observations and soil moisture observations.

An upper limit to the abundance of lightning-produced amino acids in the Jovian water clouds

NASA Astrophysics Data System (ADS)

Bar-Nun, A.; Noy, N.; Podolak, M.

1984-08-01

The effect of excess hydrogen on the synthesis of amino acids by high-temperature shock waves in a hydrogen/methane/ammonia/water vapor mixture was studied experimentally. The energy efficiency results, together with the best estimate of the lightning energy dissipation rate on Jupiter from the Voyage data, were used to calculate an upper limit to the rate of amino acid production by lightning in Jovian water clouds. Using reasonable values for the eddy diffusion coefficients within and below the water clouds, the column abundance of lightning-produced amino acids in the clouds was estimated to be 6.2 x 10 to the -6th cm-am. Hence, concentration of amino acids in water droplets would be 8 x 10 to the -8th mole/liter.

Exposure, hazard, and survival analysis of diffusion on social networks.

PubMed

Wu, Jiacheng; Crawford, Forrest W; Kim, David A; Stafford, Derek; Christakis, Nicholas A

2018-04-29

Sociologists, economists, epidemiologists, and others recognize the importance of social networks in the diffusion of ideas and behaviors through human societies. To measure the flow of information on real-world networks, researchers often conduct comprehensive sociometric mapping of social links between individuals and then follow the spread of an "innovation" from reports of adoption or change in behavior over time. The innovation is introduced to a small number of individuals who may also be encouraged to spread it to their network contacts. In conjunction with the known social network, the pattern of adoptions gives researchers insight into the spread of the innovation in the population and factors associated with successful diffusion. Researchers have used widely varying statistical tools to estimate these quantities, and there is disagreement about how to analyze diffusion on fully observed networks. Here, we describe a framework for measuring features of diffusion processes on social networks using the epidemiological concepts of exposure and competing risks. Given a realization of a diffusion process on a fully observed network, we show that classical survival regression models can be adapted to estimate the rate of diffusion, and actor/edge attributes associated with successful transmission or adoption, while accounting for the topology of the social network. We illustrate these tools by applying them to a randomized network intervention trial conducted in Honduras to estimate the rate of adoption of 2 health-related interventions-multivitamins and chlorine bleach for water purification-and determine factors associated with successful social transmission. Copyright © 2018 John Wiley & Sons, Ltd.

An in-depth assessment into simultaneous monitoring of dissolved reactive phosphorus (DRP) and low-molecular-weight organic phosphorus (LMWOP) in aquatic environments using diffusive gradients in thin films (DGT).

PubMed

Mohr, Christian Wilhelm; Vogt, Rolf David; Røyset, Oddvar; Andersen, Tom; Parekh, Neha Amit

2015-04-01

Long-term laborious and thus costly monitoring of phosphorus (P) fractions is required in order to provide reasonable estimates of the levels of bioavailable phosphorus for eutrophication studies. A practical solution to this problem is the application of passive samplers, known as Diffusive Gradient in Thin films (DGTs), providing time-average concentrations. DGT, with the phosphate adsorbent Fe-oxide based binding gel, is capable of collecting both orthophosphate and low molecular weight organic phosphorus (LMWOP) compounds, such as adenosine monophosphate (AMP) and myo-inositol hexakisphosphate (IP6). The diffusion coefficient (D) is a key parameter relating the amount of analyte determined from the DGT to a time averaged ambient concentration. D at 20 °C for AMP and IP6 were experimentally determined to be 2.9 × 10(-6) cm(2) s(-1) and 1.0 × 10(-6) cm(2) s(-1), respectively. Estimations by conceptual models of LMWOP uptake by DGTs indicated that this fraction constituted more than 75% of the dissolved organic phosphorus (DOP) accumulated. Since there is no one D for LMWOP, a D range was estimated through assessment of D models. The models tested for estimating D for a variety of common LMWOP molecules proved to be still too uncertain for practical use. The experimentally determined D for AMP and IP6 were therefore used as upper and lower D, respectively, in order to estimate minimum and maximum ambient concentrations of LMWOP. Validation of the DGT data was performed by comparing concentrations of P fractions determined in natural water samples with concentration of P fractions determined using DGT. Stream water draining three catchments with different land-use (forest, mixed and agriculture) showed clear differences in relative and absolute concentrations of dissolved reactive phosphorus (DRP) and dissolved organic P (DOP). There was no significant difference between water sample and DGT DRP (p > 0.05). Moreover, the upper and lower limit D for LMWOP proved reasonable as water sample determined DOP was found to lie in-between the limits of DGT LMWOP concentrations, indicating that on average DOP consists mainly of LMWOP. "Best fit" D was determined for each stream in order to practically use the DGTs for estimating time average DOP. Applying DGT in a eutrophic lake provided insight into P cycling in the water column.

The dynamics of water in hydrated white bread investigated using quasielastic neutron scattering

NASA Astrophysics Data System (ADS)

Sjöström, J.; Kargl, F.; Fernandez-Alonso, F.; Swenson, J.

2007-10-01

The dynamics of water in fresh and in rehydrated white bread is studied using quasielastic neutron scattering (QENS). A diffusion constant for water in fresh bread, without temperature gradients and with the use of a non-destructive technique, is presented here for the first time. The self-diffusion constant for fresh bread is estimated to be Ds = 3.8 × 10-10 m2 s-1 and the result agrees well with previous findings for similar systems. It is also suggested that water exhibits a faster dynamics than previously reported in the literature using equilibration of a hydration-level gradient monitored by vibrational spectroscopy. The temperature dependence of the dynamics of low hydration bread is also investigated for T = 280-350 K. The average relaxation time at constant momentum transfer (Q) shows an Arrhenius behavior in the temperature range investigated.

Seaglider surveys at Ocean Station Papa: Diagnosis of upper-ocean heat and salt balances using least squares with inequality constraints

NASA Astrophysics Data System (ADS)

Pelland, Noel A.; Eriksen, Charles C.; Cronin, Meghan F.

2017-06-01

Heat and salt balances in the upper 200 m are examined using data from Seaglider spatial surveys June 2008 to January 2010 surrounding a NOAA surface mooring at Ocean Station Papa (OSP; 50°N, 145°W). A least-squares approach is applied to repeat Seaglider survey and moored measurements to solve for unknown or uncertain monthly three-dimensional circulation and vertical diffusivity. Within the surface boundary layer, the estimated heat and salt balances are dominated throughout the surveys by turbulent flux, vertical advection, and for heat, radiative absorption. When vertically integrated balances are considered, an estimated upwelling of cool water balances the net surface input of heat, while the corresponding large import of salt across the halocline due to upwelling and diffusion is balanced by surface moisture input and horizontal import of fresh water. Measurement of horizontal gradients allows the estimation of unresolved vertical terms over more than one annual cycle; diffusivity in the upper-ocean transition layer decreases rapidly to the depth of the maximum near-surface stratification in all months, with weak seasonal modulation in the rate of decrease and profile amplitude. Vertical velocity is estimated to be on average upward but with important monthly variations. Results support and expand existing evidence concerning the importance of horizontal advection in the balances of heat and salt in the Gulf of Alaska, highlight time and depth variability in difficult-to-measure vertical transports in the upper ocean, and suggest avenues of further study in future observational work at OSP.

Dynamic surface tension and adsorption mechanism of surfactin biosurfactant at the air-water interface.

PubMed

Onaizi, Sagheer A

2018-03-01

The dynamic adsorption of the anionic biosurfactant, surfactin, at the air-water interface has been investigated in this work and compared to those of two synthetic surfactants: the anionic sodium dodecylbenzenesulfonate (SDBS) and the nonionic octaethylene glycol monotetradecyl ether (C 14 E 8 ). The results revealed that surfactin adsorption at the air-water interface is purely controlled by diffusion mechanism at the initial stage of the adsorption process (i.e., [Formula: see text]), but shifts towards a mixed diffusion-barrier mechanism when surface tension approaches equilibrium (i.e., [Formula: see text]) due to the development of an energy barrier for adsorption. Such energy barrier has been found to be a function of the surfactin bulk concentration (increases with increasing surfactin concentration) and it is estimated to be in the range of 1.8-9.5 kJ/mol. Interestingly, such a trend (pure diffusion-controlled mechanism at [Formula: see text] and mixed diffusion-barrier mechanism at [Formula: see text]) has been also observed for the nonionic C 14 E 8 surfactant. Unlike the pure diffusion-controlled mechanism of the initial surfactin adsorption, which was the case in the presence and the absence of the sodium ion (Na + ), SDBS showed a mixed diffusion-barrier controlled at both short and long time, with an energy barrier of 3.0-9.0 and 3.8-18.0 kJ/mol, respectively. Such finding highlights the nonionic-like adsorption mechanism of surfactin despite its negative charge.

Problems associated with estimating ground water discharge and recharge from stream-discharge records

USGS Publications Warehouse

Halford, K.J.; Mayer, G.C.

2000-01-01

Ground water discharge and recharge frequently have been estimated with hydrograph-separation techniques, but the critical assumptions of the techniques have not been investigated. The critical assumptions are that the hydraulic characteristics of the contributing aquifer (recession index) can be estimated from stream-discharge records; that periods of exclusively ground water discharge can be reliably identified; and that stream-discharge peaks approximate the magnitude and tinting of recharge events. The first assumption was tested by estimating the recession index from st earn-discharge hydrographs, ground water hydrographs, and hydraulic diffusivity estimates from aquifer tests in basins throughout the eastern United States and Montana. The recession index frequently could not be estimated reliably from stream-discharge records alone because many of the estimates of the recession index were greater than 1000 days. The ratio of stream discharge during baseflow periods was two to 36 times greater than the maximum expected range of ground water discharge at 12 of the 13 field sites. The identification of the ground water component of stream-discharge records was ambiguous because drainage from bank-storage, wetlands, surface water bodies, soils, and snowpacks frequently exceeded ground water discharge and also decreased exponentially during recession periods. The timing and magnitude of recharge events could not be ascertained from stream-discharge records at any of the sites investigated because recharge events were not directly correlated with stream peaks. When used alone, the recession-curve-displacement method and other hydrograph-separation techniques are poor tools for estimating ground water discharge or recharge because the major assumptions of the methods are commonly and grossly violated. Multiple, alternative methods of estimating ground water discharge and recharge should be used because of the uncertainty associated with any one technique.

Effects of Climate Change on Diffuse Pollution in Lake Mogan Watershed

NASA Astrophysics Data System (ADS)

Alp, E.; Özcan, Z.

2017-12-01

Climate change is putting increasing pressure on water bodies. It can affect the behavior of pollutants in the environment and their interaction with the hydrological cycle. For instance, changing precipitation patterns may result in higher volumes of runoff containing numerous contaminants to water bodies and eventually loss of life-supporting function of them. The purpose of this study is to evaluate the impacts of climate change on diffuse pollution in Lake Mogan watershed located in a climate change vulnerable region and where agricultural diffuse pollution is one of the significant concerns. Lake Mogan watershed has an area of 970 km2 and it is dominated by dry agricultural practices and characterized by intermittent creeks. The lake was declared as a special environmental protection region in 1990. In this study, the impacts of climate change on diffuse pollution in the Lake Mogan watershed was evaluated using with a water quality model, SWAT (Soil and Water Assessment Tool). SWAT is a conceptual, continuous time model that operates on a daily time step. The model has been used in many studies to estimate the impacts of climate change, to calculate pollutant loads and to evaluate the best management practices all over the world. The required inputs for SWAT model can be categorized under the following basic categories: topography, land use/land cover, soil properties, land management practices occurring in the watershed, and meteorological inputs. According to Turkish Ministry of Forestry and Water Affairs (2016), it is estimated that the annual average temperature values will increase up to 3.3°C during the 85 year projection period as compared to reference period in the RCP4.5 scenario in the study area. This increase is predicted as up to 5.7°C based on the RCP8.5 scenario. The calibrated SWAT model for the Lake Mogan Watershed is used for the climate change scenarios for a period of 2010 and 2100. It is aimed that the outcomes of this study will help decision makers to develop beneficial management strategies so that the sustainable management of the specially protected water body is provided.

Coastal Zone Color Scanner data of rich coastal waters

NASA Technical Reports Server (NTRS)

Wrigley, R. C.; Klooster, S. A.

1983-01-01

Comparisons of chlorophyll concentrations and diffuse attenuation coefficients measured from ships off the central California coast were made with satellite derived estimates of the same parameters using data from the Coastal Zone Color Scanner. Very high chlorophyll concentrations were encountered in Monterey Bay. Although lower chlorophyll values acquired off Pt. Sur agreed satisfactorily with the satellite data, the high chlorophyll values departed markedly from agreement. Two possible causes for the disagreement are suggested. Comparison of diffuse attenuation coefficients from the same data sets showed closer agreement.

The ionic DTI model (iDTI) of dynamic diffusion tensor imaging (dDTI)

PubMed Central

Makris, Nikos; Gasic, Gregory P.; Garrido, Leoncio

2014-01-01

Measurements of water molecule diffusion along fiber tracts in CNS by diffusion tensor imaging (DTI) provides a static map of neural connections between brain centers, but does not capture the electrical activity along axons for these fiber tracts. Here, a modification of the DTI method is presented to enable the mapping of active fibers. It is termed dynamic diffusion tensor imaging (dDTI) and is based on a hypothesized “anisotropy reduction due to axonal excitation” (“AREX”). The potential changes in water mobility accompanying the movement of ions during the propagation of action potentials along axonal tracts are taken into account. Specifically, the proposed model, termed “ionic DTI model”, was formulated as follows.•First, based on theoretical calculations, we calculated the molecular water flow accompanying the ionic flow perpendicular to the principal axis of fiber tracts produced by electrical conduction along excited myelinated and non-myelinated axons.•Based on the changes in molecular water flow we estimated the signal changes as well as the changes in fractional anisotropy of axonal tracts while performing a functional task.•The variation of fractional anisotropy in axonal tracts could allow mapping the active fiber tracts during a functional task. Although technological advances are necessary to enable the robust and routine measurement of this electrical activity-dependent movement of water molecules perpendicular to axons, the proposed model of dDTI defines the vectorial parameters that will need to be measured to bring this much needed technique to fruition. PMID:25431757

Dissolution kinetics of volatile organic compound vapors in water: An integrated experimental and computational study

NASA Astrophysics Data System (ADS)

Mahmoodlu, Mojtaba G.; Pontedeiro, Elizabeth M.; Pérez Guerrero, Jesús S.; Raoof, Amir; Majid Hassanizadeh, S.; van Genuchten, Martinus Th.

2017-01-01

In this study we performed batch experiments to investigate the dissolution kinetics of trichloroethylene (TCE) and toluene vapors in water at room temperature and atmospheric pressure. The batch systems consisted of a water reservoir and a connected headspace, the latter containing a small glass cylinder filled with pure volatile organic compound (VOC). Results showed that air phase concentrations of both TCE and toluene increased relatively quickly to their maximum values and then became constant. We considered subsequent dissolution into both stirred and unstirred water reservoirs. Results of the stirred experiments showed a quick increase in the VOC concentrations with time up to their solubility limit in water. VOC vapor dissolution was found to be independent of pH. In contrast, salinity had a significant effect on the solubility of TCE and toluene vapors. VOC evaporation and vapor dissolution in the stirred water reservoirs followed first-order rate processes. Observed data could be described well using both simplified analytical solutions, which decoupled the VOC dynamics in the air and water phases, as well as using more complete coupled solutions. However, the estimated evaporation (ke) and dissolution (kd) rate constants differed by up to 70% between the coupled and uncoupled formulations. We also numerically investigated the effects of fluid withdrawal from the small water reservoir due to sampling. While decoupling the VOC air and water phase mass transfer processes produced unreliable estimates of kd, the effects of fluid withdrawal on the estimated rate constants were found to be less important. The unstirred experiments showed a much slower increase in the dissolved VOC concentrations versus time. Molecular diffusion of the VOCs within the aqueous phase became then the limiting factor for mass transfer from air to water. Fluid withdrawal during sampling likely caused some minor convection within the reservoir, which was simulated by increasing the apparent liquid diffusion coefficient.

Maxwell-Stefan diffusion: a framework for predicting condensed phase diffusion and phase separation in atmospheric aerosol

NASA Astrophysics Data System (ADS)

Fowler, Kathryn; Connolly, Paul J.; Topping, David O.; O'Meara, Simon

2018-02-01

The composition of atmospheric aerosol particles has been found to influence their micro-physical properties and their interaction with water vapour in the atmosphere. Core-shell models have been used to investigate the relationship between composition, viscosity and equilibration timescales. These models have traditionally relied on the Fickian laws of diffusion with no explicit account of non-ideal interactions. We introduce the Maxwell-Stefan diffusion framework as an alternative method, which explicitly accounts for non-ideal interactions through activity coefficients. e-folding time is the time it takes for the difference in surface and bulk concentration to change by an exponential factor and was used to investigate the interplay between viscosity and solubility and the effect this has on equilibration timescales within individual aerosol particles. The e-folding time was estimated after instantaneous increases in relative humidity to binary systems of water and an organic component. At low water mole fractions, viscous effects were found to dominate mixing. However, at high water mole fractions, equilibration times were more sensitive to a range in solubility, shown through the greater variation in e-folding times. This is the first time the Maxwell-Stefan framework has been applied to an atmospheric aerosol core-shell model and shows that there is a complex interplay between the viscous and solubility effects on aerosol composition that requires further investigation.

A Simulation Tool for Dynamic Contrast Enhanced MRI

PubMed Central

Mauconduit, Franck; Christen, Thomas; Barbier, Emmanuel Luc

2013-01-01

The quantification of bolus-tracking MRI techniques remains challenging. The acquisition usually relies on one contrast and the analysis on a simplified model of the various phenomena that arise within a voxel, leading to inaccurate perfusion estimates. To evaluate how simplifications in the interstitial model impact perfusion estimates, we propose a numerical tool to simulate the MR signal provided by a dynamic contrast enhanced (DCE) MRI experiment. Our model encompasses the intrinsic and relaxations, the magnetic field perturbations induced by susceptibility interfaces (vessels and cells), the diffusion of the water protons, the blood flow, the permeability of the vessel wall to the the contrast agent (CA) and the constrained diffusion of the CA within the voxel. The blood compartment is modeled as a uniform compartment. The different blocks of the simulation are validated and compared to classical models. The impact of the CA diffusivity on the permeability and blood volume estimates is evaluated. Simulations demonstrate that the CA diffusivity slightly impacts the permeability estimates ( for classical blood flow and CA diffusion). The effect of long echo times is investigated. Simulations show that DCE-MRI performed with an echo time may already lead to significant underestimation of the blood volume (up to 30% lower for brain tumor permeability values). The potential and the versatility of the proposed implementation are evaluated by running the simulation with realistic vascular geometry obtained from two photons microscopy and with impermeable cells in the extravascular environment. In conclusion, the proposed simulation tool describes DCE-MRI experiments and may be used to evaluate and optimize acquisition and processing strategies. PMID:23516414

Invariant soil water potential at zero microbial respiration explained by hydrological discontinuity in dry soils

DOE PAGES

Manzoni, S.; Katul, G.

2014-09-30

We report that soil microbial respiration rates decrease with soil drying, ceasing below water potentials around -15 MPa. A proposed mechanism for this pattern is that under dry conditions, microbes are substrate limited because solute diffusivity is halted due to breaking of water film continuity. However, pore connectivity estimated from hydraulic conductivity and solute diffusivity (at Darcy's scale) is typically interrupted at much less negative water potentials than microbial respiration (-0.1 to -1 MPa). It is hypothesized here that the more negative respiration thresholds than at the Darcy's scale emerge because microbial activity is restricted to microscale soil patches thatmore » retain some hydrological connectivity even when it is lost at the macroscale. This hypothesis is explored using results from percolation theory and meta-analyses of respiration-water potential curves and hydrological percolation points. Lastly, when reducing the spatial scale from macroscale to microscale, hydrological and respiration thresholds become consistent, supporting the proposed hypothesis.« less

Studies of Water Absorption Behavior of Plant Fibers at Different Temperatures

NASA Astrophysics Data System (ADS)

Saikia, Dip

2010-05-01

Moisture absorption of natural fiber plastic composites is one major concern in their outdoor applications. The absorbed moisture has many detrimental effects on the mechanical performance of these composites. A knowledge of the moisture diffusivity, permeability, and solubility is very much essential for the application of natural fibers as an excellent reinforcement in polymers. An effort has been made to study the water absorption behavior of some natural fibers such as bowstring hemp, okra, and betel nut at different temperatures to improve the long-term performance of composites reinforced with these fibers. The gain in moisture content in the fibers due to water absorption was measured as a function of exposure time at temperatures ranging from 300 K to 340 K. The thermodynamic parameters of the sorption process, such as diffusion coefficients and corresponding activation energies, were estimated.

Tissue microstructure estimation using a deep network inspired by a dictionary-based framework.

PubMed

Ye, Chuyang

2017-12-01

Diffusion magnetic resonance imaging (dMRI) captures the anisotropic pattern of water displacement in the neuronal tissue and allows noninvasive investigation of the complex tissue microstructure. A number of biophysical models have been proposed to relate the tissue organization with the observed diffusion signals, so that the tissue microstructure can be inferred. The Neurite Orientation Dispersion and Density Imaging (NODDI) model has been a popular choice and has been widely used for many neuroscientific studies. It models the diffusion signal with three compartments that are characterized by distinct diffusion properties, and the parameters in the model describe tissue microstructure. In NODDI, these parameters are estimated in a maximum likelihood framework, where the nonlinear model fitting is computationally intensive. Therefore, efforts have been made to develop efficient and accurate algorithms for NODDI microstructure estimation, which is still an open problem. In this work, we propose a deep network based approach that performs end-to-end estimation of NODDI microstructure, which is named Microstructure Estimation using a Deep Network (MEDN). MEDN comprises two cascaded stages and is motivated by the AMICO algorithm, where the NODDI microstructure estimation is formulated in a dictionary-based framework. The first stage computes the coefficients of the dictionary. It resembles the solution to a sparse reconstruction problem, where the iterative process in conventional estimation approaches is unfolded and truncated, and the weights are learned instead of predetermined by the dictionary. In the second stage, microstructure properties are computed from the output of the first stage, which resembles the weighted sum of normalized dictionary coefficients in AMICO, and the weights are also learned. Because spatial consistency of diffusion signals can be used to reduce the effect of noise, we also propose MEDN+, which is an extended version of MEDN. MEDN+ allows incorporation of neighborhood information by inserting a stage with learned weights before the MEDN structure, where the diffusion signals in the neighborhood of a voxel are processed. The weights in MEDN or MEDN+ are jointly learned from training samples that are acquired with diffusion gradients densely sampling the q-space. We performed MEDN and MEDN+ on brain dMRI scans, where two shells each with 30 gradient directions were used, and measured their accuracy with respect to the gold standard. Results demonstrate that the proposed networks outperform the competing methods. Copyright © 2017 Elsevier B.V. All rights reserved.

Tritium Plume Dynamics in the Shallow Unsaturated Zone Adjacent to an Arid Waste Disposal Facility

NASA Astrophysics Data System (ADS)

Maples, S.; Andraski, B. J.; Stonestrom, D. A.; Cooper, C. A.; Michel, R. L.; Pohll, G. M.

2012-12-01

Previous studies at the U.S. Geological Survey's Amargosa Desert Research Site (ADRS) in southern Nevada have documented two plumes of tritiated water-vapor (3HHOg) adjacent to a closed, commercial low-level radioactive waste disposal facility. Wastes were disposed on-site from 1962-92. Tritium has moved long distances (> 400 m) through a shallow (1-2-m depth) dry gravelly layer—orders of magnitude further than anticipated by standard transport models. Geostatistical methods, spatial moment analyses and tritium flux calculations were applied to assess shallow plume dynamics. A grid-based plant-water sampling method was utilized to infer detailed, field-scale 3HHOg concentrations at 5-yr intervals during 2001-11. Results indicate that gravel-layer 3HHOg mass diminished faster than would be expected from radioactive decay (~70% in 10 yr). Both plumes exhibited center-of-mass stability, suggesting that bulk-plume movement is minimal during the period of study. Nonetheless, evidence of localized lateral advancement along some margins, combined with increases in the spatial covariance of concentration distribution, indicates intra-plume mass redistribution is ongoing. Previous studies have recognized that vertical movement of tritiated water from sub-root-zone gravel into the root-zone contributes to atmospheric release via evapotranspiration. Estimates of lateral and vertical tritium fluxes during the study period indicate (1) vertical tritiated water fluxes were dominated by diffusive-vapor fluxes (> 90%), and (2) vertical diffusive-vapor fluxes were roughly an order of magnitude greater than lateral diffusive-vapor fluxes. This behavior highlights the importance of the atmosphere as a tritium sink. Estimates of cumulative vertical diffusive-vapor flux and radioactive decay with time were comparable to observed declines in total shallow plume mass with time. This suggests observed changes in plume mass may (1) be attributed, in considerable part, to these removal mechanisms, and (2) appreciable input from the adjacent disposal facility is not occurring at this time.

Water diffusion in silicate glasses: the effect of glass structure

NASA Astrophysics Data System (ADS)

Kuroda, M.; Tachibana, S.

2016-12-01

Water diffusion in silicate melts (glasses) is one of the main controlling factors of magmatism in a volcanic system. Water diffusivity in silicate glasses depends on its own concentration. However, the mechanism causing those dependences has not been fully understood yet. In order to construct a general model for water diffusion in various silicate glasses, we performed water diffusion experiments in silica glass and proposed a new water diffusion model [Kuroda et al., 2015]. In the model, water diffusivity is controlled by the concentration of both main diffusion species (i.e. molecular water) and diffusion pathways, which are determined by the concentrations of hydroxyl groups and network modifier cations. The model well explains the water diffusivity in various silicate glasses from silica glass to basalt glass. However, pre-exponential factors of water diffusivity in various glasses show five orders of magnitude variations although the pre-exponential factor should ideally represent the jump frequency and the jump distance of molecular water and show a much smaller variation. Here, we attribute the large variation of pre-exponential factors to a glass structure dependence of activation energy for molecular water diffusion. It has been known that the activation energy depends on the water concentration [Nowak and Behrens, 1997]. The concentration of hydroxyls, which cut Si-O-Si network in the glass structure, increases with water concentration, resulting in lowering the activation energy for water diffusion probably due to more fragmented structure. Network modifier cations are likely to play the same role as water. With taking the effect of glass structure into account, we found that the variation of pre-exponential factors of water diffusivity in silicate glasses can be much smaller than the five orders of magnitude, implying that the diffusion of molecular water in silicate glasses is controlled by the same atomic process.

Quantitative Characterization of Tissue Microstructure with Temporal Diffusion Spectroscopy

PubMed Central

Xu, Junzhong; Does, Mark D.; Gore, John C.

2009-01-01

The signals recorded by diffusion-weighted magnetic resonance imaging (DWI) are dependent on the micro-structural properties of biological tissues, so it is possible to obtain quantitative structural information non-invasively from such measurements. Oscillating gradient spin echo (OGSE) methods have the ability to probe the behavior of water diffusion over different time scales and the potential to detect variations in intracellular structure. To assist in the interpretation of OGSE data, analytical expressions have been derived for diffusion-weighted signals with OGSE methods for restricted diffusion in some typical structures, including parallel planes, cylinders and spheres, using the theory of temporal diffusion spectroscopy. These analytical predictions have been confirmed with computer simulations. These expressions suggest how OGSE signals from biological tissues should be analyzed to characterize tissue microstructure, including how to estimate cell nuclear sizes. This approach provides a model to interpret diffusion data obtained from OGSE measurements that can be used for applications such as monitoring tumor response to treatment in vivo. PMID:19616979

ESTIMATING DIFFUSE STORMWATER NUTRIENT LOADS FROM SUBURBAN LANDSCAPES TO THE NAVESINK ESTUARY, NEW JERSEY

EPA Science Inventory

Hitherto, stormwater runoff from suburban land-uses has been largely unregulated and designated as a non-point source. Phase II of the Clean Water Act will require permits under the National Pollutant Discharge Elimination System for stormwater discharges from municipal separate ...

ESTIMATING DIFFUSE STORMWATER NUTRIENT LOADS FROM SUBURBAN LANDSCAPES IN THE NAVESINK ESTUARY, NEW JERSEY

EPA Science Inventory

Hitherto, stormwater runoff from suburban land-uses has been largely unregulated and designated as a non-point source. Phase II of the Clean Water Act now requires permits under the National Pollutant Discharge Elimination System for stormwater discharges from municipal separate...

Insights into crystal growth rates from a study of orbicular granitoids from western Australia

NASA Astrophysics Data System (ADS)

Zhang, J.; Lee, C. T.

2017-12-01

The purpose of this study is to develop new tools for constraining crystal growth rate in geologic systems. Of interest is the growth of crystals in magmatic systems because crystallization changes the rheology of a magma as well as provides surfaces on which bubbles can nucleate. To explore crystal growth in more detail, we conducted a case study of orbicular granitoids from western Australia. The orbicules occur as spheroids dispersed in a granitic matrix. Most orbicules have at least two to three concentric bands, composed of elongate and radially oriented hornblende surrounded by interstitial plagioclase. We show that mineral modes and hence bulk composition at the scale of the band is homogeneous from rim to core. Crystal number density decreases and crystal size increases from rim to core. These observations suggest that the orbicules crystallized rapidly from rim to core. We hypothesize that the orbicules are blobs of hot dioritic liquid injected into a cold granitic magma and subsequently cooled and solidified. Crystals stop growing when the mass transport rate tends to zero due to the low temperature. We estimated cooling timescales based on conductive cooling models, constraining crystal growth rates to be 10-6 to 10-5 m/s. We also show that the oscillatory banding is controlled by disequilibrium crystallization, wherein hornblende preferentially crystallizes, resulting in the diffusive growth of a chemical boundary layer enriched in plagioclase component, which in turns results in crystallization of plagioclase. We show that the correlation between the width of each crystallization couplet (band) with distance from orbicule rim is linear, with the slope corresponding to the square root of the ratio between chemical diffusivity in the growth medium and thermal diffusivity. We estimate chemical diffusivity of 2*10-7 m2/s, which is remarkably fast for silicate liquids but reasonable for diffusion in hot aqueous fluids, suggesting that crystallization occurred during water-saturated conditions. Combined with the estimate of the boundary layer thickness, we use the diffusivity to estimate the diffusive flux, arriving at crystal growth rates similar to that constrained by thermal modeling. In the presence of fluids, we show that crystal growth rates in magmatic systems may be under-estimated.

Distinct Interleaving of South China Sea Water and North Pacific Water During Impingements of Mesoscale Eddies on the Kuroshio

NASA Astrophysics Data System (ADS)

Wang, S. H.; Jan, S.

2017-12-01

In order to examine the water masses exchanges in and around the Kuroshio, hundreds of high-resolution hydrographic profiles (temperature, salinity and density) from the sea surface down to 1000 m depth acquired by a Seaglider across the Kuroshio off the southeast coast of Taiwan were analyzed. Hydrographic samplings at three different sections of a triangle glider track were conducted during 8 December 2016 and 6 March 2017 and each section was sampled repeatedly two times. Results from the observations reveal vigorous layered intrusions of the South China Sea Water coming from the northern South China Sea through the Luzon Strait to the North Pacific Water transported by the Kuroshio, resulting in the interleaving of the two water masses. The Diapycnal Spiciness Curvature (DSC) was used to characterize the magnitude of interleaving. The results indicate that significant interleaving mostly occurred in the intermediate layer between 400 m and 800 m, and the vertical and horizontal length scales were on the order of 10 m and 10 km, respectively. The Turner angle, which is a useful parameter for evaluating salt fingering and double diffusive processes, suggests that double diffusive is a dominant process in the interleaving regions. The associate estimation of eddy diffusivity for density is relatively high with a magnitude of O(10-3 m2 s-1) at depths between 600 m and 1000 m.

Effect of molecular exchange on water droplet size analysis as determined by diffusion NMR: The W/O/W double emulsion case.

PubMed

Vermeir, Lien; Sabatino, Paolo; Balcaen, Mathieu; Declerck, Arnout; Dewettinck, Koen; Martins, José C; Guthausen, Gisela; Van der Meeren, Paul

2016-08-01

The accuracy of the inner water droplet size determination of W/O/W emulsions upon water diffusion measurement by diffusion NMR was evaluated. The resulting droplet size data were compared to the results acquired from the diffusion measurement of a highly water soluble marker compound with low permeability in the oil layer of a W/O/W emulsion, which provide a closer representation of the actual droplet size. Differences in droplet size data obtained from water and the marker were ascribed to extra-droplet water diffusion. The diffusion data of the tetramethylammonium cation marker were measured using high-resolution pulsed field gradient NMR, whereas the water diffusion was measured using both low-resolution and high-resolution NMR. Different data analysis procedures were evaluated to correct for the effect of extra-droplet water diffusion on the accuracy of water droplet size analysis. Using the water diffusion data, the use of a low measurement temperature and diffusion delay Δ could reduce the droplet size overestimation resulting from extra-droplet water diffusion, but this undesirable effect was inevitable. Detailed analysis of the diffusion data revealed that the extra-droplet diffusion effect was due to an exchange between the inner water phase and the oil phase, rather than by exchange between the internal and external aqueous phase. A promising data analysis procedure for retrieving reliable size data consisted of the application of Einstein's diffusion law to the experimentally determined diffusion distances. This simple procedure allowed determining the inner water droplet size of W/O/W emulsions upon measurement of water diffusion by low-resolution NMR at or even above room temperature. Copyright © 2016 Elsevier Inc. All rights reserved.

Modeling photosynthetically active radiation in water of Tampa Bay, Florida, with emphasis on the geometry of incident irradiance

USGS Publications Warehouse

Miller, R.L.; McPherson, B.F.

1995-01-01

A model is developed that uses a simplified geometric description of incident direct solar beam and diffuse skylight. The model incorporates effects of solar elevation angle and cloudiness on the amount of in-air photosynthetically active radiation (PAR) that passes through the air-water interface and on K0 in waters of relatively low turbidity. The value of K0 was estimated to vary as much as 41% on a clear summer day due to changes in solar elevation angle. The model was used to make estimates of the depth to which sea-grasses might receive adequate light for survival for a range of values of K0. -from Authors

Slow-Down in Diffusion in Crowded Protein Solutions Correlates with Transient Cluster Formation.

PubMed

Nawrocki, Grzegorz; Wang, Po-Hung; Yu, Isseki; Sugita, Yuji; Feig, Michael

2017-12-14

For a long time, the effect of a crowded cellular environment on protein dynamics has been largely ignored. Recent experiments indicate that proteins diffuse more slowly in a living cell than in a diluted solution, and further studies suggest that the diffusion depends on the local surroundings. Here, detailed insight into how diffusion depends on protein-protein contacts is presented based on extensive all-atom molecular dynamics simulations of concentrated villin headpiece solutions. After force field adjustments in the form of increased protein-water interactions to reproduce experimental data, translational and rotational diffusion was analyzed in detail. Although internal protein dynamics remained largely unaltered, rotational diffusion was found to slow down more significantly than translational diffusion as the protein concentration increased. The decrease in diffusion is interpreted in terms of a transient formation of protein clusters. These clusters persist on sub-microsecond time scales and follow distributions that increasingly shift toward larger cluster size with increasing protein concentrations. Weighting diffusion coefficients estimated for different clusters extracted from the simulations with the distribution of clusters largely reproduces the overall observed diffusion rates, suggesting that transient cluster formation is a primary cause for a slow-down in diffusion upon crowding with other proteins.

Fronts and intrusions in the upper Deep Polar Water of the Eurasian and Makarov basins

NASA Astrophysics Data System (ADS)

Kuzmina, Natalia; Rudels, Bert; Zhurbas, Natalia; Lyzhkov, Dmitry

2013-04-01

CTD data obtained in the Arctic Basin are analyzed to describe structural features of intrusive layers and fronts encountered in the upper Deep Polar Water. This work is an extension of Arctic intrusions studies by Rudels et al. (1999) and Kuzmina et al. (2011). Numerous examples of fronts and intrusions observed in a deep layer (depth range of 600-1300 m) in the Eurasian and Makarov basins where salinity is increasing, and temperature is decreasing with depth (stable-stable thermohaline stratification), are described. The data are used to estimate hydrological parameters capable of determining different types of fronts and characterizing intrusive layers depending on the front structure. Coherence of intrusive layers is shown to get broken with the change of front structure. An evidence is found that enhanced turbulent mixing above local bottom elevations can prevent from intrusive layering. A linear stability model description of the observed intrusions is developed based on the Merryfield's (2000) assumption that interleaving is caused by differential mixing. Theoretical analysis is focused on prediction of the slopes of unstable modes at baroclinic and thermohaline fronts. Apparent vertical diffusivity due to turbulent mixing at baroclinic and thermohaline fronts is estimated on the basis of comparison of observed intrusion slopes with modeled slopes of the most unstable modes. Apparent lateral diffusivity is estimated too, based on Joyce (1980) approach. These estimates show that intrusive instability of fronts caused by differential mixing can result in sizable values of apparent lateral heat diffusivity in the deep Arctic layer that are quite comparable with those of the upper and intermediate Arctic layers (Walsh, Carmack, 2003; Kuzmina et al., 2011).

Diffusivity measurements of volatile organics in levitated viscous aerosol particles

NASA Astrophysics Data System (ADS)

Bastelberger, Sandra; Krieger, Ulrich K.; Luo, Beiping; Peter, Thomas

2017-07-01

Field measurements indicating that atmospheric secondary organic aerosol (SOA) particles can be present in a highly viscous, glassy state have spurred numerous studies addressing low diffusivities of water in glassy aerosols. The focus of these studies is on kinetic limitations of hygroscopic growth and the plasticizing effect of water. In contrast, much less is known about diffusion limitations of organic molecules and oxidants in viscous matrices. These may affect atmospheric chemistry and gas-particle partitioning of complex mixtures with constituents of different volatility. In this study, we quantify the diffusivity of a volatile organic in a viscous matrix. Evaporation of single particles generated from an aqueous solution of sucrose and small amounts of volatile tetraethylene glycol (PEG-4) is investigated in an electrodynamic balance at controlled relative humidity (RH) and temperature. The evaporative loss of PEG-4 as determined by Mie resonance spectroscopy is used in conjunction with a radially resolved diffusion model to retrieve translational diffusion coefficients of PEG-4. Comparison of the experimentally derived diffusivities with viscosity estimates for the ternary system reveals a breakdown of the Stokes-Einstein relationship, which has often been invoked to infer diffusivity from viscosity. The evaporation of PEG-4 shows pronounced RH and temperature dependencies and is severely depressed for RH ≲ 30 %, corresponding to diffusivities < 10-14 cm2 s-1 at temperatures < 15 °C. The temperature dependence is strong, suggesting a diffusion activation energy of about 300 kJ mol-1. We conclude that atmospheric volatile organic compounds can be subject to severe diffusion limitations in viscous organic aerosol particles. This may enable an important long-range transport mechanism for organic material, including pollutant molecules such as polycyclic aromatic hydrocarbons (PAHs).

Inferring diameters of spheres and cylinders using interstitial water.

PubMed

Herrera, Sheryl L; Mercredi, Morgan E; Buist, Richard; Martin, Melanie

2018-06-04

Most early methods to infer axon diameter distributions using magnetic resonance imaging (MRI) used single diffusion encoding sequences such as pulsed gradient spin echo (SE) and are thus sensitive to axons of diameters > 5 μm. We previously simulated oscillating gradient (OG) SE sequences for diffusion spectroscopy to study smaller axons including the majority constituting cortical connections. That study suggested the model of constant extra-axonal diffusion breaks down at OG accessible frequencies. In this study we present data from phantoms to test a time-varying interstitial apparent diffusion coefficient. Diffusion spectra were measured in four samples from water packed around beads of diameters 3, 6 and 10 μm; and 151 μm diameter tubes. Surface-to-volume ratios, and diameters were inferred. The bead pore radii estimates were 0.60±0.08 μm, 0.54±0.06 μm and 1.0±0.1 μm corresponding to bead diameters ranging from 2.9±0.4 μm to 5.3±0.7 μm, 2.6±0.3 μm to 4.8±0.6 μm, and 4.9±0.7 μm to 9±1 μm. The tube surface-to-volume ratio estimate was 0.06±0.02 μm -1 corresponding to a tube diameter of 180±70 μm. Interstitial models with OG inferred 3-10 μm bead diameters from 0.54±0.06 μm to 1.0±0.1 μm pore radii and 151 μm tube diameters from 0.06±0.02 μm -1 surface-to-volume ratios.

User's instructions for the 41-node thermoregulatory model (steady state version)

NASA Technical Reports Server (NTRS)

Leonard, J. I.

1974-01-01

A user's guide for the steady-state thermoregulatory model is presented. The model was modified to provide conversational interaction on a remote terminal, greater flexibility for parameter estimation, increased efficiency of convergence, greater choice of output variable and more realistic equations for respiratory and skin diffusion water losses.

The effect of noise and lipid signals on determination of Gaussian and non-Gaussian diffusion parameters in skeletal muscle.

PubMed

Cameron, Donnie; Bouhrara, Mustapha; Reiter, David A; Fishbein, Kenneth W; Choi, Seongjin; Bergeron, Christopher M; Ferrucci, Luigi; Spencer, Richard G

2017-07-01

This work characterizes the effect of lipid and noise signals on muscle diffusion parameter estimation in several conventional and non-Gaussian models, the ultimate objectives being to characterize popular fat suppression approaches for human muscle diffusion studies, to provide simulations to inform experimental work and to report normative non-Gaussian parameter values. The models investigated in this work were the Gaussian monoexponential and intravoxel incoherent motion (IVIM) models, and the non-Gaussian kurtosis and stretched exponential models. These were evaluated via simulations, and in vitro and in vivo experiments. Simulations were performed using literature input values, modeling fat contamination as an additive baseline to data, whereas phantom studies used a phantom containing aliphatic and olefinic fats and muscle-like gel. Human imaging was performed in the hamstring muscles of 10 volunteers. Diffusion-weighted imaging was applied with spectral attenuated inversion recovery (SPAIR), slice-select gradient reversal and water-specific excitation fat suppression, alone and in combination. Measurement bias (accuracy) and dispersion (precision) were evaluated, together with intra- and inter-scan repeatability. Simulations indicated that noise in magnitude images resulted in <6% bias in diffusion coefficients and non-Gaussian parameters (α, K), whereas baseline fitting minimized fat bias for all models, except IVIM. In vivo, popular SPAIR fat suppression proved inadequate for accurate parameter estimation, producing non-physiological parameter estimates without baseline fitting and large biases when it was used. Combining all three fat suppression techniques and fitting data with a baseline offset gave the best results of all the methods studied for both Gaussian diffusion and, overall, for non-Gaussian diffusion. It produced consistent parameter estimates for all models, except IVIM, and highlighted non-Gaussian behavior perpendicular to muscle fibers (α ~ 0.95, K ~ 3.1). These results show that effective fat suppression is crucial for accurate measurement of non-Gaussian diffusion parameters, and will be an essential component of quantitative studies of human muscle quality. Published 2017. This article is a U.S. Government work and is in the public domain in the USA.

Efficient gas exchange between a boreal river and the atmosphere

NASA Astrophysics Data System (ADS)

Huotari, Jussi; Haapanala, Sami; Pumpanen, Jukka; Vesala, Timo; Ojala, Anne

2013-11-01

largest uncertainties in accurately resolving the role of rivers and streams in carbon cycling stem from difficulties in determining gas exchange between water and the atmosphere. So far, estimates for river-atmosphere gas exchange have lacked direct ecosystem-scale flux measurements not disturbing gas exchange across the air-water interface. We conducted the first direct riverine gas exchange measurements with eddy covariance in tandem with continuous surface water CO2 measurements in a large boreal river for 30 days. Our measured gas transfer velocity was, on average, 20.8 cm h-1, which is clearly higher than the model estimates based on river channel morphology and water velocity, whereas our floating chambers gave comparable values at 17.3 cm h-1. These results demonstrate that present estimates for riverine CO2 emissions are very likely too low. This result is also relevant to any other gases emitted, as their diffusive exchange rates are similarly proportional to gas transfer velocity.

Cycling of mercury across the sediment-water interface in seepage lakes: Chapter 13, Advances in Chemistry

USGS Publications Warehouse

Hurley, James P.; Krabbenhoft, David P.; Babiarz, Christopher L.; Andren, Anders

1994-01-01

The magnitude and direction of Hg fluxes across the sediment—water interface were estimated by groundwater, dry bulk sediment, sediment pore water, sediment trap, and water-column analyses in two northern Wisconsin seepage lakes. Little Rock Lake (Treatment Basin) received no groundwater discharge during the study period (1988—1990), and Follette Lake received continuous groundwater discharge. In Little Rock Lake, settling of particulate matter accounted for the major Hg delivery mechanism to the sediment—water interface. Upward diffusion of Hg from sediment pore waters below 2—4-cm sediment depth was apparently a minor source during summer stratification. Time-series comparisons suggested that the observed buildup of Hg in the hypolimnion of Little Rock Lake was attributable to dissolution and diffusion of Hg from recently fallen particulate matter close to the sediment—water interface. Groundwater inflow represented an important source of new Hg, and groundwater outflow accounted for significant removal of Hg from Pallette Lake. Equilibrium speciation calculations revealed that association of Hg with organic matter may control solubility in well-oxygenated waters, whereas in anoxic environments sulfur (polysulfide and bisulfide) complexation governs dissolved total Hg levels.

SPECIAL ISSUE DEVOTED TO MULTIPLE RADIATION SCATTERING IN RANDOM MEDIA: Optical coherent tomography measurements of the diffusion rate of water and drugs in an isolated and whole cornea

NASA Astrophysics Data System (ADS)

Larin, Kirill V.; Ghosn, M. G.

2006-12-01

The passive diffusion of drugs through the epithelial surfaces of an eye (the most widespread method for medical treatment of various diseases) is considered. The permeability of water and drugs through rabbit cornea was measured in the isolated cornea (separate from an eye) and in the whole cornea. The permeability coefficients of water and dexamethasone were estimated by the method of optical coherence tomography (OCT). Because multiple photon scattering introduces noise and distortions to the OCT signal, measurements were performed at depths up to 500 μm where most likely single scattering of light occurs in cornea. It is shown that the permeability coefficients in the isolated and whole cornea strongly differ from each other. For example, the water permeability in the isolated and whole cornea is (7.09±0.12)×10-5 and (1.71±0.51)×10-5 cm s-1, respectively.

Coastal Zone Mapping and Imaging Lidar (CZMIL): first flights and system validation

NASA Astrophysics Data System (ADS)

Feygels, Viktor I.; Park, Joong Yong; Aitken, Jennifer; Kim, Minsu; Payment, Andy; Ramnath, Vinod

2012-09-01

CZMIL is an integrated lidar-imagery sensor system and software suite designed for the highly automated generation of physical and environmental information products for mapping the coastal zone. This paper presents the results of CZMIL system validation in turbid water conditions on the Gulf Coast of Mississippi and in relatively clear water conditions in Florida in late spring 2012. The system performance test shows that CZMIL successfully achieved 7-8m depth in Kd =0.46m-1 (Kd is the diffuse attenuation coefficient) in Mississippi and up to 41m when Kd=0.11m-1 in Florida. With a seven segment array for topographic mode and the shallow water zone, CZMIL generated high resolution products with a maximum pulse rate of 70 kHz, and with 10 kHz in the deep water zone. Diffuse attenuation coefficient, bottom reflectance and other environmental parameters for the whole multi km2 area were estimated based on fusion of lidar and CASI-1500 hyperspectral camera data.

Interplay between translational diffusion and large-amplitude angular jumps of water molecules

NASA Astrophysics Data System (ADS)

Liu, Chao; Zhang, Yangyang; Zhang, Jian; Wang, Jun; Li, Wenfei; Wang, Wei

2018-05-01

Understanding the microscopic mechanism of water molecular translational diffusion is a challenging topic in both physics and chemistry. Here, we report an investigation on the interplay between the translational diffusion and the large-amplitude angular jumps of water molecules in bulk water using molecular dynamics simulations. We found that large-amplitude angular jumps are tightly coupled to the translational diffusions. Particularly, we revealed that concurrent rotational jumps of spatially neighboring water molecules induce inter-basin translational jumps, which contributes to the fast component of the water translational diffusion. Consequently, the translational diffusion shows positional heterogeneity; i.e., the neighbors of the water molecules with inter-basin translational jumps have larger probability to diffuse by inter-basin translational jumps. Our control simulations showed that a model water molecule with moderate hydrogen bond strength can diffuse much faster than a simple Lennard-Jones particle in bulk water due to the capability of disturbing the hydrogen bond network of the surrounding water molecules. Our results added to the understanding of the microscopic picture of the water translational diffusion and demonstrated the unique features of water diffusion arising from their hydrogen bond network structure compared with those of the simple liquids.

Communication: Water on hexagonal boron nitride from diffusion Monte Carlo

DOE Office of Scientific and Technical Information (OSTI.GOV)

Al-Hamdani, Yasmine S.; Ma, Ming; Michaelides, Angelos, E-mail: angelos.michaelides@ucl.ac.uk

2015-05-14

Despite a recent flurry of experimental and simulation studies, an accurate estimate of the interaction strength of water molecules with hexagonal boron nitride is lacking. Here, we report quantum Monte Carlo results for the adsorption of a water monomer on a periodic hexagonal boron nitride sheet, which yield a water monomer interaction energy of −84 ± 5 meV. We use the results to evaluate the performance of several widely used density functional theory (DFT) exchange correlation functionals and find that they all deviate substantially. Differences in interaction energies between different adsorption sites are however better reproduced by DFT.

Diffusivity in the core of chronic multiple sclerosis lesions.

PubMed

Klistorner, Alexander; Wang, Chenyu; Yiannikas, Con; Parratt, John; Barton, Joshua; You, Yuyi; Graham, Stuart L; Barnett, Michael H

2018-01-01

Diffusion tensor imaging (DTI) has been suggested as a potential biomarker of disease progression, neurodegeneration and de/remyelination in MS. However, the pathological substrates that underpin alterations in brain diffusivity are not yet fully delineated. We propose that in highly cohesive fiber tracts: 1) a relative increase in parallel (axial) diffusivity (AD) may serve as a measure of increased extra-cellular space (ESC) within the core of chronic MS lesions and, as a result, may provide an estimate of the degree of tissue destruction, and 2) the contribution of the increased extra-cellular water to perpendicular (radial) diffusivity (RD) can be eliminated to provide a more accurate assessment of membranal (myelin) loss. The purpose of this study was to isolate the contribution of extra-cellular water and demyelination to observed DTI indices in the core of chronic MS lesions, using the OR as an anatomically cohesive tract. Pre- and post-gadolinium (Gd) enhanced T1, T2 and DTI images were acquired from 75 consecutive RRMS patients. In addition, 25 age and gender matched normal controls were imaged using an identical MRI protocol (excluding Gd). The optic radiation (OR) was identified in individual patients using probabilistic tractography. The T2 lesions were segmented and intersected with the OR. Average eigenvalues were calculated within the core of OR lesions mask. The proportion of extra-cellular space (ECS) within the lesional core was calculated based on relative increase of AD, which was then used to normalise the perpendicular eigenvalues to eliminate the effect of the expanded ECS. In addition, modelling was implemented to simulate potential effect of various factors on lesional anisotropy. Of 75 patients, 41 (55%) demonstrated sizable T2 lesion volume within the ORs. All lesional eigenvalues were significantly higher compared to NAWM and controls. There was a strong correlation between AD and RD within the core of OR lesions, which was, however, not seen in OR NAWM of MS patients or normal controls. In addition, lesional anisotropy (FA) was predominantly driven by the perpendicular diffusivity, while in NAWM and in OR of normal controls all eigenvectors contributed to variation in FA. Estimated volume of ECS component constituted significant proportion of OR lesional volume and correlated significantly with lesional T1 hypointensity. While perpendicular diffusivity dropped significantly following normalisation, it still remained higher compared with diffusivity in OR NAWM. The "residual" perpendicular diffusivity also showed a substantial reduction of inter-subject variability. Both observed and modelled diffusion data suggested anisotropic nature of water diffusion in ESC. In addition, the simulation procedure offered a possible explanation for the discrepancy in relationship between eigenvalues and anisotropy in lesional tissue and NAWM. This paper presents a potential technique for more reliably quantifying the effects of neurodegeneration (tissue loss) versus demyelination in OR MS lesions. This may provide a simple and effective way for applying single tract diffusion analysis in MS clinical trials, with particular relevance to pro-remyelinating and neuroprotective therapeutics.

Recharge rates and aquifer hydraulic characteristics for selected drainage basins in middle and east Tennessee

USGS Publications Warehouse

Hoos, A.B.

1990-01-01

Quantitative information concerning aquifer hydrologic and hydraulic characteristics is needed to manage the development of ground-water resources. These characteristics are poorly defined for the bedrock aquifers in Middle and East Tennessee where demand for water is increasing. This report presents estimates of recharge rate, storage coefficient, diffusivity, and transmissivity for representative drainage basins in Middle and East Tennessee, as determined from analyses of stream-aquifer interactions. The drainage basins have been grouped according to the underlying major aquifer, then statistical descriptions applied to each group, in order to define area1 distribution of these characteristics. Aquifer recharge rates are estimated for representative low, average, and high flow years for 63 drainage basins using hydrograph analysis techniques. Net annual recharge during average flow years for all basins ranges from 4.1 to 16.8 in/yr (inches per year), with a mean value of 7.3 in. In general, recharge rates are highest for basins underlain by the Blue Ridge aquifer (mean value11.7 in/yr) and lowest for basins underlain by the Central Basin aquifer (mean value 5.6 in/yr). Mean recharge values for the Cumberland Plateau, Highland Rim, and Valley and Ridge aquifers are 6.5, 7.4, and 6.6 in/yr, respectively. Gravity drainage characterizes ground-water flow in most surficial bedrock aquifer in Tennessee. Accordingly, a gravity yield analysis, which compares concurrent water-level and streamflow hydrographs, was used to estimate aquifer storage coefficient for nine study basins. The basin estimates range from 0.002 to 0.140; however, most estimates are within a narrow range of values, from 0.01 to 0.025. Accordingly, storage coefficient is estimated to be 0.01 for all aquifers in Middle and East Tennessee, with the exception of the aquifer in the inner part of the Central Basin, for which storage coefficient is estimated to be 0.002. Estimates of aquifer hydraulic diffusivity are derived from estimates of the streamflow recession index and drainage density for 75 drainage basins; values range from 3,300 to 130,000 ft^2/d (feet squared per day). Basin-specific and site-specific estimates of transmissivity are computed from estimates of hydraulic diffusivity and specific-capacity test data, respectively. Basin-specific, or areal, estimates of transmissivity range from 22 to 1,300 ft^2/d, with a mean of 240 ft^2/d In general, areal transmissivity is highest for basins underlain by the Cumberland Plateau aquifer (mean value 480 ft^2/d) and lowest for basins underlain by the Central Basin aquifer (mean value 79 ft^2/d). Mean transmissivity values for the Highland Rim, Valley and Ridge, and Blue Ridge aquifer are 320,140, and 120 ft^2/d respectively. Site-specific estimates of transmissivity, computed from specific-capacity data from 118 test wells in Middle and East Tennessee range from 2 to 93,000 ft^2/d with a mean of 2,600 ft^2/d Mean transmissivity values for the Cumberland Plateau, Highland Rim, Central Basin, Valley and Ridge, and Blue Ridge aquifers are 2,800,1,200, 7,800, 390, and 65Oft Id, respectively.

Convective drying of osmo-dehydrated apple slices: kinetics and spatial behavior of effective mass diffusivity and moisture content

NASA Astrophysics Data System (ADS)

de Farias Aires, Juarez Everton; da Silva, Wilton Pereira; de Almeida Farias Aires, Kalina Lígia Cavalcante; da Silva Júnior, Aluízio Freire; da Silva e Silva, Cleide Maria Diniz Pereira

2018-04-01

The main objective of this study is the presentation of a numerical model of liquid diffusion for the description of the convective drying of apple slices submitted to pretreatment of osmotic dehydration able of predicting the spatial distribution of effective mass diffusivity values in apple slabs. Two models that use numerical solutions of the two-dimensional diffusion equation in Cartesian coordinates with the boundary condition of third kind were proposed to describe drying. The first one does not consider the shrinkage of the product and assumes that the process parameters remain constant along the convective drying. The second one considers the shrinkage of the product and assumes that the effective mass diffusivity of water varies according to the local value of the water content in the apple samples. Process parameters were estimated from experimental data through an optimizer coupled to the numerical solutions. The osmotic pretreatment did not reduce the drying time in relation to the fresh fruits when the drying temperature was equal to 40 °C. The use of the temperature of 60 °C led to a reduction in the drying time. The model that considers the variations in the dimensions of the product and the variation in the effective mass diffusivity proved to be more adequate to describe the process.

A model of oscillatory transport in granular soils, with application to barometric pumping and earth tides.

PubMed

Neeper, D A

2001-04-01

A simple algebraic model is proposed to estimate the transport of a volatile or soluble chemical caused by oscillatory flow of fluid in a porous medium. The model is applied to the barometric pumping of vapors in the vadose zone, and to the transport of dissolved species by earth tides in an aquifer. In the model, the fluid moves sinusoidally with time in the porosity of the soil. The chemical concentration in the mobile fluid is considered to equilibrate with the concentration in the surrounding matrix according to a characteristic time governed by diffusion, sorption, or other rate processes. The model provides a closed form solution, to which barometric pressure data are applied in an example of pore gas motion in the vadose zone. The model predicts that the additional diffusivity due barometric pumping in an unfractured vadose zone would be comparable to the diffusivity in stagnant pore gas if the equilibration time is 1 day or longer. Water motion due to the M2 lunar tide is examined as an example of oscillatory transport in an aquifer. It is shown that the tidal motion of the water in an aquifer might significantly increase the vertical diffusivity of dissolved species when compared to diffusion in an absolutely stagnant aquifer, but the hydrodynamic dispersivity due to tidal motion or gravitational flow would probably exceed the diffusivity due to oscillatory advection.

Classical Molecular Dynamics with Mobile Protons.

PubMed

Lazaridis, Themis; Hummer, Gerhard

2017-11-27

An important limitation of standard classical molecular dynamics simulations is the inability to make or break chemical bonds. This restricts severely our ability to study processes that involve even the simplest of chemical reactions, the transfer of a proton. Existing approaches for allowing proton transfer in the context of classical mechanics are rather cumbersome and have not achieved widespread use and routine status. Here we reconsider the combination of molecular dynamics with periodic stochastic proton hops. To ensure computational efficiency, we propose a non-Boltzmann acceptance criterion that is heuristically adjusted to maintain the correct or desirable thermodynamic equilibria between different protonation states and proton transfer rates. Parameters are proposed for hydronium, Asp, Glu, and His. The algorithm is implemented in the program CHARMM and tested on proton diffusion in bulk water and carbon nanotubes and on proton conductance in the gramicidin A channel. Using hopping parameters determined from proton diffusion in bulk water, the model reproduces the enhanced proton diffusivity in carbon nanotubes and gives a reasonable estimate of the proton conductance in gramicidin A.

Tracing compartment exchange by NMR diffusometry: Water in lithium-exchanged low-silica X zeolites

NASA Astrophysics Data System (ADS)

Lauerer, A.; Kurzhals, R.; Toufar, H.; Freude, D.; Kärger, J.

2018-04-01

The two-region model for analyzing signal attenuation in pulsed field gradient (PFG) NMR diffusion studies with molecules in compartmented media implies that, on their trajectory, molecules get from one region (one type of compartment) into the other one with a constant (i.e. a time-invariant) probability. This pattern has proved to serve as a good approach for considering guest diffusion in beds of nanoporous host materials, with the two regions ("compartments") identified as the intra- and intercrystalline pore spaces. It is obvious, however, that the requirements of the application of the two-region model are not strictly fulfilled given the correlation between the covered diffusion path lengths in the intracrystalline pore space and the probability of molecular "escape" from the individual crystallites. On considering water diffusion in lithium-exchanged low-silica X zeolite, we are now assuming a different position since this type of material is known to offer "traps" in the trajectories of the water molecules. Now, on attributing the water molecules in the traps and outside of the traps to these two types of regions, we perfectly comply with the requirements of the two-region model. We do, moreover, benefit from the option of high-resolution measurements owing to the combination of magic angle spinning (MAS) with PFG NMR. Data analysis via the two-region model under inclusion of the influence of nuclear magnetic relaxation yields satisfactory agreement between experimental evidence and theoretical estimates. Limitations in accuracy are shown to result from the fact that mass transfer outside of the traps is too complicated for being adequately reflected by simple Fick's laws with but one diffusivity.

Estimating the Underwater Diffuse Attenuation Coefficient with a Low-Cost Instrument: The KdUINO DIY Buoy.

PubMed

Bardaji, Raul; Sánchez, Albert-Miquel; Simon, Carine; Wernand, Marcel R; Piera, Jaume

2016-03-15

A critical parameter to assess the environmental status of water bodies is the transparency of the water, as it is strongly affected by different water quality related components (such as the presence of phytoplankton, organic matter and sediment concentrations). One parameter to assess the water transparency is the diffuse attenuation coefficient. However, the number of subsurface irradiance measurements obtained with conventional instrumentation is relatively low, due to instrument costs and the logistic requirements to provide regular and autonomous observations. In recent years, the citizen science concept has increased the number of environmental observations, both in time and space. The recent technological advances in embedded systems and sensors also enable volunteers (citizens) to create their own devices (known as Do-It-Yourself or DIY technologies). In this paper, a DIY instrument to measure irradiance at different depths and automatically calculate the diffuse attenuation Kd coefficient is presented. The instrument, named KdUINO, is based on an encapsulated low-cost photonic sensor and Arduino (an open-hardware platform for the data acquisition). The whole instrument has been successfully operated and the data validated comparing the KdUINO measurements with the commercial instruments. Workshops have been organized with high school students to validate its feasibility.

Estimating the Underwater Diffuse Attenuation Coefficient with a Low-Cost Instrument: The KdUINO DIY Buoy

PubMed Central

Bardaji, Raul; Sánchez, Albert-Miquel; Simon, Carine; Wernand, Marcel R.; Piera, Jaume

2016-01-01

A critical parameter to assess the environmental status of water bodies is the transparency of the water, as it is strongly affected by different water quality related components (such as the presence of phytoplankton, organic matter and sediment concentrations). One parameter to assess the water transparency is the diffuse attenuation coefficient. However, the number of subsurface irradiance measurements obtained with conventional instrumentation is relatively low, due to instrument costs and the logistic requirements to provide regular and autonomous observations. In recent years, the citizen science concept has increased the number of environmental observations, both in time and space. The recent technological advances in embedded systems and sensors also enable volunteers (citizens) to create their own devices (known as Do-It-Yourself or DIY technologies). In this paper, a DIY instrument to measure irradiance at different depths and automatically calculate the diffuse attenuation Kd coefficient is presented. The instrument, named KdUINO, is based on an encapsulated low-cost photonic sensor and Arduino (an open-hardware platform for the data acquisition). The whole instrument has been successfully operated and the data validated comparing the KdUINO measurements with the commercial instruments. Workshops have been organized with high school students to validate its feasibility. PMID:26999132

Response of Leaf Water Potential, Stomatal Resistance, and Leaf Rolling to Water Stress

PubMed Central

O'Toole, John C.; Cruz, Rolando T.

1980-01-01

Numerous studies have associated increased stomatal resistance with response to water deficit in cereals. However, consideration of change in leaf form seems to have been neglected. The response of adaxial and abaxial stomatal resistance and leaf rolling in rice to decreasing leaf water potential was investigated. Two rice cultivars were subjected to control and water stress treatments in a deep (1-meter) aerobic soil. Concurrent measurements of leaf water potential, stomatal resistance, and degree of leaf rolling were made through a 29-day period after cessation of irrigation. Kinandang Patong, an upland adapted cultivar, maintained higher dawn and midday leaf water potential than IR28, a hybrid selected in irrigated conditions. This was not explained by differences in leaf diffusive resistance or leaf rolling, and is assumed to result from a difference in root system extent. Stomatal resistance increased more on the abaxial than the adaxial leaf surface in both cultivars. This was associated with a change in leaf form or rolling inward of the upper leaf surface. Both responses, increased stomatal resistance and leaf rolling, were initiated in a similar leaf water potential range (−8 to −12 bars). Leaves of IR28 became fully rolled at leaf water potential of about −22 bars; however, total leaf diffusive resistance was only about 4 to 5 seconds per centimeter (conductance 0.25 to 0.2 centimeter per second) at that stage. Leaf diffusive resistance and degree of leaf rolling were linearly related to leaf water potential. Thus, leaf rolling in rice may be used as an estimate of the other two less obvious effects of water deficit. PMID:16661206

A new empirical model to estimate hourly diffuse photosynthetic photon flux density

NASA Astrophysics Data System (ADS)

Foyo-Moreno, I.; Alados, I.; Alados-Arboledas, L.

2018-05-01

Knowledge of the photosynthetic photon flux density (Qp) is critical in different applications dealing with climate change, plant physiology, biomass production, and natural illumination in greenhouses. This is particularly true regarding its diffuse component (Qpd), which can enhance canopy light-use efficiency and thereby boost carbon uptake. Therefore, diffuse photosynthetic photon flux density is a key driving factor of ecosystem-productivity models. In this work, we propose a model to estimate this component, using a previous model to calculate Qp and furthermore divide it into its components. We have used measurements in urban Granada (southern Spain), of global solar radiation (Rs) to study relationships between the ratio Qpd/Rs with different parameters accounting for solar position, water-vapour absorption and sky conditions. The model performance has been validated with experimental measurements from sites having varied climatic conditions. The model provides acceptable results, with the mean bias error and root mean square error varying between - 0.3 and - 8.8% and between 9.6 and 20.4%, respectively. Direct measurements of this flux are very scarce so that modelling simulations are needed, this is particularly true regarding its diffuse component. We propose a new parameterization to estimate this component using only measured data of solar global irradiance, which facilitates its use for the construction of long-term data series of PAR in regions where continuous measurements of PAR are not yet performed.

Estimation of Key Parameters of the Coupled Energy and Water Model by Assimilating Land Surface Data

NASA Astrophysics Data System (ADS)

Abdolghafoorian, A.; Farhadi, L.

2017-12-01

Accurate estimation of land surface heat and moisture fluxes, as well as root zone soil moisture, is crucial in various hydrological, meteorological, and agricultural applications. Field measurements of these fluxes are costly and cannot be readily scaled to large areas relevant to weather and climate studies. Therefore, there is a need for techniques to make quantitative estimates of heat and moisture fluxes using land surface state observations that are widely available from remote sensing across a range of scale. In this work, we applies the variational data assimilation approach to estimate land surface fluxes and soil moisture profile from the implicit information contained Land Surface Temperature (LST) and Soil Moisture (SM) (hereafter the VDA model). The VDA model is focused on the estimation of three key parameters: 1- neutral bulk heat transfer coefficient (CHN), 2- evaporative fraction from soil and canopy (EF), and 3- saturated hydraulic conductivity (Ksat). CHN and EF regulate the partitioning of available energy between sensible and latent heat fluxes. Ksat is one of the main parameters used in determining infiltration, runoff, groundwater recharge, and in simulating hydrological processes. In this study, a system of coupled parsimonious energy and water model will constrain the estimation of three unknown parameters in the VDA model. The profile of SM (LST) at multiple depths is estimated using moisture diffusion (heat diffusion) equation. In this study, the uncertainties of retrieved unknown parameters and fluxes are estimated from the inverse of Hesian matrix of cost function which is computed using the Lagrangian methodology. Analysis of uncertainty provides valuable information about the accuracy of estimated parameters and their correlation and guide the formulation of a well-posed estimation problem. The results of proposed algorithm are validated with a series of experiments using a synthetic data set generated by the simultaneous heat and water (SHAW) model. In addition, the feasibility of extending this algorithm to use remote sensing observations that have low temporal resolution is examined by assimilating the limited number of land surface moisture and temperature observations.

Global-scale modeling of groundwater recharge

NASA Astrophysics Data System (ADS)

Döll, P.; Fiedler, K.

2008-05-01

Long-term average groundwater recharge, which is equivalent to renewable groundwater resources, is the major limiting factor for the sustainable use of groundwater. Compared to surface water resources, groundwater resources are more protected from pollution, and their use is less restricted by seasonal and inter-annual flow variations. To support water management in a globalized world, it is necessary to estimate groundwater recharge at the global scale. Here, we present a best estimate of global-scale long-term average diffuse groundwater recharge (i.e. renewable groundwater resources) that has been calculated by the most recent version of the WaterGAP Global Hydrology Model WGHM (spatial resolution of 0.5° by 0.5°, daily time steps). The estimate was obtained using two state-of-the-art global data sets of gridded observed precipitation that we corrected for measurement errors, which also allowed to quantify the uncertainty due to these equally uncertain data sets. The standard WGHM groundwater recharge algorithm was modified for semi-arid and arid regions, based on independent estimates of diffuse groundwater recharge, which lead to an unbiased estimation of groundwater recharge in these regions. WGHM was tuned against observed long-term average river discharge at 1235 gauging stations by adjusting, individually for each basin, the partitioning of precipitation into evapotranspiration and total runoff. We estimate that global groundwater recharge was 12 666 km3/yr for the climate normal 1961-1990, i.e. 32% of total renewable water resources. In semi-arid and arid regions, mountainous regions, permafrost regions and in the Asian Monsoon region, groundwater recharge accounts for a lower fraction of total runoff, which makes these regions particularly vulnerable to seasonal and inter-annual precipitation variability and water pollution. Average per-capita renewable groundwater resources of countries vary between 8 m3/(capita yr) for Egypt to more than 1 million m3/(capita yr) for the Falkland Islands, the global average in the year 2000 being 2091 m3/(capita yr). Regarding the uncertainty of estimated groundwater resources due to the two precipitation data sets, deviation from the mean is 1.1% for the global value, and less than 1% for 50 out of the 165 countries considered, between 1 and 5% for 62, between 5 and 20% for 43 and between 20 and 80% for 10 countries. Deviations at the grid scale can be much larger, ranging between 0 and 186 mm/yr.

Global-scale modeling of groundwater recharge

NASA Astrophysics Data System (ADS)

Döll, P.; Fiedler, K.

2007-11-01

Long-term average groundwater recharge, which is equivalent to renewable groundwater resources, is the major limiting factor for the sustainable use of groundwater. Compared to surface water resources, groundwater resources are more protected from pollution, and their use is less restricted by seasonal and inter-annual flow variations. To support water management in a globalized world, it is necessary to estimate groundwater recharge at the global scale. Here, we present a best estimate of global-scale long-term average diffuse groundwater recharge (i.e. renewable groundwater resources) that has been calculated by the most recent version of the WaterGAP Global Hydrology Model WGHM (spatial resolution of 0.5° by 0.5°, daily time steps). The estimate was obtained using two state-of-the art global data sets of gridded observed precipitation that we corrected for measurement errors, which also allowed to quantify the uncertainty due to these equally uncertain data sets. The standard WGHM groundwater recharge algorithm was modified for semi-arid and arid regions, based on independent estimates of diffuse groundwater recharge, which lead to an unbiased estimation of groundwater recharge in these regions. WGHM was tuned against observed long-term average river discharge at 1235 gauging stations by adjusting, individually for each basin, the partitioning of precipitation into evapotranspiration and total runoff. We estimate that global groundwater recharge was 12 666 km3/yr for the climate normal 1961-1990, i.e. 32% of total renewable water resources. In semi-arid and arid regions, mountainous regions, permafrost regions and in the Asian Monsoon region, groundwater recharge accounts for a lower fraction of total runoff, which makes these regions particularly vulnerable to seasonal and inter-annual precipitation variability and water pollution. Average per-capita renewable groundwater resources of countries vary between 8 m3/(capita yr) for Egypt to more than 1 million m3/(capita yr) for the Falkland Islands, the global average in the year 2000 being 2091 m3/(capita yr). Regarding the uncertainty of estimated groundwater resources due to the two precipitation data sets, deviation from the mean is less than 1% for 50 out of the 165 countries considered, between 1 and 5% for 62, between 5 and 20% for 43 and between 20 and 80% for 10 countries. Deviations at the grid scale can be much larger, ranging between 0 and 186 mm/yr.

Methane oxidation in Saanich Inlet during summer stratification

NASA Technical Reports Server (NTRS)

Ward, B. B.; Kilpatrick, K. A.; Wopat, A. E.; Minnich, E. C.; Lidstrom, M. E.

1989-01-01

Saanich Inlet, British Columbia, an fjord on the southeast coast of Vancouver Island, typically stratifies in summer, leading to the formation of an oxic-anoxic interface in the water column and accumulation of methane in the deep water. The results of methane concentration measurements in the water column of the inlet at various times throughout the summer months in 1983 are presented. Methane gradients and calculated diffusive fluxes across the oxic-anoxic interface increased as the summer progressed. Methane distribution and consumption in Saanich Inlet were studied in more detail during August 1986. At this time, a typical summer stratification with an oxic-anoxic interface around 140 m was present. At the interface, steep gradients in nutrient concentrations, bacterial abundance and methane concentration were observed. Methane oxidation was detected in the aerobic surface waters and in the anaerobic deep layer, but highest rates occurred in a narrow layer at the oxic-anoxic interface. Estimated methane oxidation rates were suffcient to consume 100 percent of the methane provided by diffusive flux from the anoxic layer. Methane oxidation is thus a mechanism whereby atmospheric flux from anoxic waters is minimized.

Nonlinear Spectral Mixture Modeling to Estimate Water-Ice Abundance of Martian Regolith

NASA Astrophysics Data System (ADS)

Gyalay, Szilard; Chu, Kathryn; Zeev Noe Dobrea, Eldar

2017-10-01

We present a novel technique to estimate the abundance of water-ice in the Martian permafrost using Phoenix Surface Stereo Imager multispectral data. In previous work, Cull et al. (2010) estimated the abundance of water-ice in trenches dug by the Mars Phoenix lander by modeling the spectra of the icy regolith using the radiative transfer methods described in Hapke (2008) with optical constants for Mauna Kea palagonite (Clancy et al., 1995) as a substitute for unknown Martian regolith optical constants. Our technique, which uses the radiative transfer methods described in Shkuratov et al. (1999), seeks to eliminate the uncertainty that stems from not knowing the composition of the Martian regolith by using observations of the Martian soil before and after the water-ice has sublimated away. We use observations of the desiccated regolith sample to estimate its complex index of refraction from its spectrum. This removes any a priori assumptions of Martian regolith composition, limiting our free parameters to the estimated real index of refraction of the dry regolith at one specific wavelength, ice grain size, and regolith porosity. We can then model mixtures of regolith and water-ice, fitting to the original icy spectrum to estimate the ice abundance. To constrain the uncertainties in this technique, we performed laboratory measurements of the spectra of known mixtures of water-ice and dry soils as well as those of soils after desiccation with controlled viewing geometries. Finally, we applied the technique to Phoenix Surface Stereo Imager observations and estimated water-ice abundances consistent with pore-fill in the near-surface ice. This abundance is consistent with atmospheric diffusion, which has implications to our understanding of the history of water-ice on Mars and the role of the regolith at high latitudes as a reservoir of atmospheric H2O.

Estimation of underwater visibility in coastal and inland waters using remote sensing data.

PubMed

Kulshreshtha, Anuj; Shanmugam, Palanisamy

2017-04-01

An optical method is developed to estimate water transparency (or underwater visibility) in terms of Secchi depth (Z sd ), which follows the remote sensing and contrast transmittance theory. The major factors governing the variation in Z sd , namely, turbidity and length attenuation coefficient (1/(c + K d ), c = beam attenuation coefficient; K d  = diffuse attenuation coefficient at 531 nm), are obtained based on band rationing techniques. It was found that the band ratio of remote sensing reflectance (expressed as (R rs (443) + R rs (490))/(R rs (555) + R rs (670)) contains essential information about the water column optical properties and thereby positively correlates to turbidity. The beam attenuation coefficient (c) at 531 nm is obtained by a linear relationship with turbidity. To derive the vertical diffuse attenuation coefficient (K d ) at 531 nm, K d (490) is estimated as a function of reflectance ratio (R rs (670)/R rs (490)), which provides the bio-optical link between chlorophyll concentration and K d (531). The present algorithm was applied to MODIS-Aqua images, and the results were evaluated by matchup comparisons between the remotely estimated Z sd and in situ Z sd in coastal waters off Point Calimere and its adjoining regions on the southeast coast of India. The results showed the pattern of increasing Z sd from shallow turbid waters to deep clear waters. The statistical evaluation of the results showed that the percent mean relative error between the MODIS-Aqua-derived Z sd and in situ Z sd values was within ±25%. A close agreement achieved in spatial contours of MODIS-Aqua-derived Z sd and in situ Z sd for the month of January 2014 and August 2013 promises the model capability to yield accurate estimates of Z sd in coastal, estuarine, and inland waters. The spatial contours have been included to provide the best data visualization of the measured, modeled (in situ), and satellite-derived Z sd products. The modeled and satellite-derived Z sd values were compared with measurement data which yielded RMSE = 0.079, MRE = -0.016, and R 2  = 0.95 for the modeled Z sd and RMSE = 0.075, MRE = 0.020, and R 2  = 0.95 for the satellite-derived Z sd products.

Origin of halides (Cl- and Br-) and of their stable isotopes (d37Cl and d81Br) at the Tournemire URL (France) - Experimental and numerical approach

NASA Astrophysics Data System (ADS)

Bachir-Bey, Nassim; Matray, Jean-Michel

2014-05-01

This work is part of research conducted by the Institute of Radiological and Nuclear Safety (IRSN) on the geological disposal of High-Level and Intermediate-Level Long-Lived (HL-ILLL) radioactive waste in deep clayrocks. In France, the choice of the potential host rock for the geological storage is focused on the Callovian-Oxfordian (COx) of Meuse/Haute-Marne from its low permeability, capacity for self- sealing, high sorption and ability to radionuclide (RN) transport by diffusion. IRSN, which plays an expert role for ASN has its own underground research laboratory in a clayrock which has strong analogies to the COx. This is the Toarcian/Domerian clayrock located at Tournemire in southern Aveyron in France. The purpose of this study was to assess the transfer of RN in the Tournemire clayrock through the study of halides contents and of their stable isotopes (Cl-, Br-, Cl-/Br-, d37Cl, d81Br). The approach used was multiple and consisted for halides to: 1) Assess their stock in different fractions of the rock by applying several techniques including i) alkaline fusion for their total stock, ii) leaching to access their stock in porewater and to mineral phases sensitive to dissolution iii) cubic diffusion for their stock in porewater, 2) Get their diffusive transport parameters of a selection of samples from the upper Toarcian by cubic diffusion experiments modelled using the Hytec transport code developed by Mines ParisTech and 3) Model their transport after palaeohydrogeological known changes of the Tournemire massif. The experimental approach, conducted at the LAME lab, did not lead to an operational protocol for the alkaline fusion due to an incomplete rock dissolution. Leaching was used to characterize the concentrations of halides in the fractions of pore water and of minerals sensitive to dissolution. The results show levels of halides much higher than those of pore water with very low Cl/Br ratios likely resulting from the dissolution of mineral species. The cubic diffusion produced the pore diffusion coefficients for Cl and Br as well as their concentration in the porewater. Cubic diffusion also allowed to estimate a Cl to Br pore diffusion coefficient ratio, necessary to calculate the profiles of Cl/Br. These estimates have required the use of the transport code Hytec i) for dimensioning and implementing the experiment in a time frame compatible with the work period, ii) for analysing the sensitiveness of the model to the accessible porosity and to the diffusion coefficient which act respectively to the steady phase and transient phase of the experiments, and finally, iii ) for adjusting the pore diffusion coefficients of Cl and Br to an accessible porosity of 3-4%. The Hytec code was then used to check the consistency of the current profiles of chlorides, bromides, 35Cl , 37Cl , d37Cl, Cl/Br in 1D, a fake drilling assumed crossing the entire clayrock. The assumption is that halides have undergone a diffusive transport between seawater trapped during sedimentation and meteoric waters infiltrated at different times to domain boundaries. Four scenarios were tested according to the paleohydrogeological history of the massif. All tracers and scenarios are consistent with a unique marine source of halides more or less diluted by meteoric waters. The duration of the diffusive exchange initially suggested 85 ± 10 Ma (Bensenouci, 2010) is never contradicted despite uncertainties related to changes in boundary conditions. This body of evidence would suggest that molecular diffusion is the transport process which has affected and still affect the Tournemire clayrock, outside fault zones. The d37Cl results expected on the surrounding carbonated aquifers, leachates and fracture waters (including d81Br values) should help to refine the models and the results.

The Measurement of Thermal Diffusivity in Conductor and Insulator by Photodeflection Technique

NASA Astrophysics Data System (ADS)

Achathongsuk, U.; Rittidach, T.; Tipmonta, P.; Kijamnajsuk, P.; Chotikaprakhan, S.

2017-09-01

The purpose of this study is to estimate thermal diffusivities of high thermal diffusivity bulk material as well as low thermal diffusivity bulk material by using many types of fluid such as Ethyl alcohol and water. This method is studied by measuring amplitude and phase of photodeflection signal in various frequency modulations. The experimental setup consists of two laser lines: 1) a pump laser beams through a modulator, varied frequency, controlled by lock-in amplifier and focused on sample surface by lens. 2) a probe laser which parallels with the sample surface and is perpendicular to the pump laser beam. The probe laser deflection signal is obtained by a position sensor which controlled by lock-in amplifier. Thermal diffusivity is calculated by measuring the amplitude and phase of the photodeflection signal and compared with the thermal diffusivity of a standard value. The thermal diffusivity of SGG agrees well with the literature but the thermal diffusivity of Cu is less than the literature value by a factor of ten. The experiment requires further improvement to measure the thermal diffusivity of Cu. However, we succeed in using ethyl alcohol as the coupling medium instead of CCl4 which is highly toxic.

Direct estimation of mass flow and diffusion of nitrogen compounds in solution and soil.

PubMed

Oyewole, Olusegun Ayodeji; Inselsbacher, Erich; Näsholm, Torgny

2014-02-01

Plant nutrient uptake from soil is mainly governed by diffusion and transpirationally induced mass flow, but the current methods for assessing the relative importance of these processes are indirect. We developed a microdialysis method using solutions of different osmotic potentials as perfusates to simulate diffusion and mass flow processes, and assessed how induced mass flow affected fluxes of nitrogen (N) compounds in solution and in boreal forest soil. Varying the osmotic potential of perfusates induced vertical fluxes in the direction of the dialysis membranes at rates of between 1 × 10(-8) and 3 × 10(-7)  m s(-1) , thus covering the estimated range of water velocities perpendicular to root surfaces and induced by transpiration. Mass flow increased N fluxes in solution but even more so in soil. This effect was explained by an indirect effect of mass flow on rates of diffusive fluxes, possibly caused by the formation of steeper gradients in concentrations of N compounds from membrane surfaces out in the soil. Our results suggest that transpiration may be an essential driver of plant N acquisition. © 2013 The Authors. New Phytologist © 2013 New Phytologist Trust.

Evidence of dehydration in peridotites from Eifel Volcanic Field and estimates of the rate of magma ascent

NASA Astrophysics Data System (ADS)

Denis, Carole M. M.; Demouchy, Sylvie; Shaw, Cliff S. J.

2013-05-01

We report major element compositions and water contents in upper mantle minerals from peridotites transported by silica undersaturated, mafic alkaline lavas from three volcanoes Rockeskyllerkopf, Dreiser Weiher, and Meerfelder Maar of the Eifel Volcanic Field (West Germany). The hydrogen concentrations (expressed in ppm wt. H2O) obtained from unpolarized and polarized Fourier transform infrared (FTIR) spectroscopy give water contents for olivine, enstatite and diopside of ~ 6 ppm wt. H2O, ~ 200 ppm wt. H2O and ~ 285 ppm wt. H2O, respectively. The hydrogen concentration in individual olivine grains is strongly heterogeneous whereas that in pyroxenes is homogeneous. Profiles measured across crystallographically oriented single-crystals of olivine using polarized infrared radiation reveal hydrogen depleted rims that are interpreted to be due to partial dehydration by ionic diffusion during the ascent of the xenolith to the surface. Using experimentally obtained diffusion coefficients for hydrogen in olivine at high temperature and high pressure, we estimate that the duration of the dehydration for the spinel-bearing xenoliths is limited to a few hours yielding rates of magma ascent from 3 ms- 1 to 12 ms- 1. Our study suggests that the water contents of the upper mantle based solely on measurements of mantle-derived olivine, when concentration is not homogeneous, underestimate the true water content of the equilibrated uppermost mantle and that pyroxenes are a better proxy to constrain uppermost mantle water contents.

An Innovative Concept for Spacebased Lidar Measurement of Ocean Carbon Biomass

NASA Technical Reports Server (NTRS)

Hu, Yongxiang; Behrenfeld, Michael; Hostetler, Chris; Pelon, Jacques; Trepte, Charles; Hair, John; Slade, Wayne; Cetinic, Ivona; Vaughan, Mark; Lu, Xiaomei;

Loss or Mislocalization of Aquaporin-4 Affects Diffusion Properties and Intermediary Metabolism in Gray Matter of Mice.

PubMed

Pavlin, T; Nagelhus, E A; Brekken, C; Eyjolfsson, E M; Thoren, A; Haraldseth, O; Sonnewald, U; Ottersen, O P; Håberg, A K

2017-01-01

The first aim of this study was to determine how complete or perivascular loss of aquaporin-4 (AQP4) water channels affects membrane permeability for water in the mouse brain grey matter in the steady state. Time-dependent diffusion magnetic resonance imaging was performed on global Aqp4 knock out (KO) and α-syntrophin (α-syn) KO mice, in the latter perivascular AQP4 are mislocalized, but still functioning. Control animals were corresponding wild type (WT) mice. By combining in vivo diffusion measurements with the effective medium theory and previously measured extra-cellular volume fractions, the effects of membrane permeability and extracellular volume fraction were uncoupled for Aqp4 and α-syn KO. The second aim was to assess the effect of α-syn KO on cortical intermediary metabolism combining in vivo [1- 13 C]glucose and [1,2- 13 C]acetate injection with ex vivo 13 C MR spectroscopy. Aqp4 KO increased the effective diffusion coefficient at long diffusion times by 5%, and a 14% decrease in membrane water permeability was estimated for Aqp4 KO compared with WT mice. α-syn KO did not affect the measured diffusion parameters. In the metabolic analyses, significantly lower amounts of [4- 13 C]glutamate and [4- 13 C]glutamine, and percent enrichment in [4- 13 C]glutamate were detected in the α-syn KO mice. [1,2- 13 C]acetate metabolism was unaffected in α-syn KO, but the contribution of astrocyte derived metabolites to GABA synthesis was significantly increased. Taken together, α-syn KO mice appeared to have decreased neuronal glucose metabolism, partly compensated for by utilization of astrocyte derived metabolites.

Two dimensional finite element modelling for dynamic water diffusion through stratum corneum.

PubMed

Xiao, Perry; Imhof, Robert E

2012-10-01

Solvents penetration through in vivo human stratum corneum (SC) has always been an interesting research area for trans-dermal drug delivery studies, and the importance of intercellular routes (diffuse in between corneocytes) and transcellular routes (diffuse through corneocytes) during diffusion is often debatable. In this paper, we have developed a two dimensional finite element model to simulate the dynamic water diffusion through the SC. It is based on the brick-and-mortar model, with brick represents corneocytes and mortar represents lipids, respectively. It simulates the dynamic water diffusion process through the SC from pre-defined initial conditions and boundary conditions. Although the simulation is based on water diffusions, the principles can also be applied to the diffusions of other topical applied substances. The simulation results show that both intercellular routes and transcellular routes are important for water diffusion. Although intercellular routes have higher flux rates, most of the water still diffuse through transcellular routes because of the high cross area ratio of corneocytes and lipids. The diffusion water flux, or trans-epidermal water loss (TEWL), is reversely proportional to corneocyte size, i.e. the larger the corneocyte size, the lower the TEWL, and vice versa. There is also an effect of the SC thickness, external air conditions and diffusion coefficients on the water diffusion through SC on the resulting TEWL. Copyright © 2012 Elsevier B.V. All rights reserved.

Effect of infiltrated water on rheology of plagioclase feldspar under lower crustal condition

NASA Astrophysics Data System (ADS)

Kido, M.; Muto, J.; Koizumi, S.; Nagahama, H.

2016-12-01

Fluids in the deep crust have an important role in deformation of lithosphere and seismicity. In this study, we performed deformation experiments to reveal rheological properties of plagioclase feldspars as a main constituent of crustal materials with infilitrated water. Axial compression tests on synthetic polycrystalline anorthite (An) were performed in a Griggs-type deformation apparatus at temparature of 900 °C, strain rates of roughly about 10-5 s-1 and various confining pressures of 0.8-1.4 GPa. Distilled water was added on samples before tests. Times for infiltration of water into samples were changed to investigate the variation of strength associated with diffusion of water. Strengths of wet An tended to decrease with infiltration time or strain magnitude. If other conditions such as temperature, time and strain being the same, strengths increase with confining pressures. Recovered samples show that deformation was concentrated in the lower part of samples. Differential stresses were significantly lower than predicted values by a previous flow law for wet An obtained by low pressure gas apparatus ( 0.4 GPa, Rybacki et al., 2006). This implies that the effect of water on mechanical behavior in higher pressure might be larger than those predicted by lower pressure experiments. Ideal water concentration and strength profile of internal of samples were estimated by one-dimensional model of grain boundary diffusion. Estimated strength of internal part of samples was significant higher than measured stresses. There is possibility that cataclastic flow partially occurred in samples. In addition, deformation-enhanced fluid flow probably occurred. In conclusion, strength of wet An depends on water infiltration time, strain magnitude and confining pressure. The results suggest that the strength of fluid-rich regions in the lower crust becomes lower than that predicted by previous studies.

Barometric response functions from borehole water level records and quantification of aquifer vulnerability

NASA Astrophysics Data System (ADS)

Odling, N. E.; Serrano, R. P.; Hussein, M.; Guadagnini, A.; Riva, M.

2013-12-01

In confined and semi-confined aquifers, borehole water levels respond to fluctuations in barometric pressure and this response can be used to estimate the properties of aquifer confining layers. We use this response as indicator of groundwater vulnerability for the semi-confined Chalk aquifer in East Yorkshire, UK. Time series data of borehole water levels are corrected for Earth tides and recharge, and barometric response functions (BRFs) estimated using cross-spectral deconvolution-averaging techniques. The resulting BRFs are fitted using a theoretical model of the BRF gain and phase for a semi-confined aquifer (Rojstaczer, 1988) to obtain confining layer properties. For all of the boreholes, non-zero hydraulic diffusivities for the confining layer were found indicating that the aquifer is semi-confined. A ';characteristic time scale' based on the hydraulic and pneumatic diffusivities of the confining layer is introduced as a measure of the degree of aquifer confinement and therefore groundwater vulnerability. The analytical model assumes that the confining layer and aquifer are homogeneous. However, in nature, confining layers are heterogeneous and groundwater vulnerability dominated by the presence of high diffusivity, high flow pathways through the confining layer to the aquifer. A transient numerical model (MODFLOW) was constructed to test the impact of such heterogeneities on the BRF. In the model, an observed barometric pressure time series is used as a boundary condition applied to the upper surface of the top unit of the model (representing the confining layer) and BRFs determined from the time series of model heads in the bottom unit (representing the aquifer). The results from a numerical model with a homogeneous confining layer were found to accurately reproduce the BRFs from a modified version of the analytical model. The introduction of a localized, high diffusive block in the confining layer was found to modify the BRF, reducing the gain amplitude while having limited impact on the phase. It was found that the BRF reflects the presence of a fully penetrating, high diffusivity heterogeneity up to several hundred meters distant from the observation borehole, and shows little sensitivity to the heterogeneity's horizontal dimension. Heterogeneities that are 50% partially penetrating do not significantly impact on the BRF and 90% penetrating heterogeneities can only be detected when large and close to the observation borehole. These results show that BRF gain may be particularly useful in detecting the presence of fully penetrating heterogeneities of high diffusivity within confining layers that potentially enhance groundwater vulnerability. This research has been funded in part through the EU ITN ';IMVUL' (PITN-GA-2008-212298). Reference: Rojstaczer, S. (1988) Determination of fluid-flow properties from the response of water levels in wells to atmospheric loading, Water Resources Research, 24(11), 1927-1938.

Morphometric partitioning of the respiratory surface area and diffusion capacity of the gills and swim bladder in juvenile Amazonian air-breathing fish, Arapaima gigas.

PubMed

Fernandes, Marisa Narciso; da Cruz, André Luis; da Costa, Oscar Tadeu Ferreira; Perry, Steven Franklin

2012-09-01

The gills and the respiratory swim bladders of juvenile specimens (mean body mass 100g) of the basal teleost Arapaima gigas (Cuvier 1829) were evaluated using stereological methods in vertical sections. The surface areas, harmonic mean barrier thicknesses and morphometric diffusing capacities for oxygen and carbon dioxide were estimated. The average respiratory surface area of the swim bladder (2173 cm² kg⁻¹) exceeded that of the gills (780 cm² kg⁻¹) by a factor of 2.79. Due to the extremely thin air-blood barrier in the swim bladder (harmonic mean 0.22 μm) and the much thicker water-blood barrier of the gills (9.61 μm), the morphometric diffusing capacity for oxygen and carbon dioxide was 88 times greater in the swim bladder than in the gills. These data clearly indicate the importance of the swim bladder, even in juvenile A. gigas that still engage in aquatic respiration. Because of the much greater diffusion constant of CO₂ than O₂ in water, the gills also remain important for CO₂ release. Copyright © 2012 Elsevier Ltd. All rights reserved.

Coarse-grained molecular dynamics simulation of water diffusion in the presence of carbon nanotubes.

PubMed

Lado Touriño, Isabel; Naranjo, Arisbel Cerpa; Negri, Viviana; Cerdán, Sebastián; Ballesteros, Paloma

2015-11-01

Computational modeling of the translational diffusion of water molecules in anisotropic environments entails vital relevance to understand correctly the information contained in the magnetic resonance images weighted in diffusion (DWI) and of the diffusion tensor images (DTI). In the present work we investigated the validity, strengths and weaknesses of a coarse-grained (CG) model based on the MARTINI force field to simulate water diffusion in a medium containing carbon nanotubes (CNTs) as models of anisotropic water diffusion behavior. We show that water diffusion outside the nanotubes follows Ficḱs law, while water diffusion inside the nanotubes is not described by a Ficḱs behavior. We report on the influence on water diffusion of various parameters such as length and concentration of CNTs, comparing the CG results with those obtained from the more accurate classic force field calculation, like the all-atom approach. Calculated water diffusion coefficients decreased in the presence of nanotubes in a concentration dependent manner. We also observed smaller water diffusion coefficients for longer CNTs. Using the CG methodology we were able to demonstrate anisotropic diffusion of water inside the nanotube scaffold, but we could not prove anisotropy in the surrounding medium, suggesting that grouping several water molecules in a single diffusing unit may affect the diffusional anisotropy calculated. The methodologies investigated in this work represent a first step towards the study of more complex models, including anisotropic cohorts of CNTs or even neuronal axons, with reasonable savings in computation time. Copyright © 2015 Elsevier Inc. All rights reserved.

Determination of heat transfer parameters by use of finite integral transform and experimental data for regular geometric shapes

NASA Astrophysics Data System (ADS)

Talaghat, Mohammad Reza; Jokar, Seyyed Mohammad

2017-12-01

This article offers a study on estimation of heat transfer parameters (coefficient and thermal diffusivity) using analytical solutions and experimental data for regular geometric shapes (such as infinite slab, infinite cylinder, and sphere). Analytical solutions have a broad use in experimentally determining these parameters. Here, the method of Finite Integral Transform (FIT) was used for solutions of governing differential equations. The temperature change at centerline location of regular shapes was recorded to determine both the thermal diffusivity and heat transfer coefficient. Aluminum and brass were used for testing. Experiments were performed for different conditions such as in a highly agitated water medium ( T = 52 °C) and in air medium ( T = 25 °C). Then, with the known slope of the temperature ratio vs. time curve and thickness of slab or radius of the cylindrical or spherical materials, thermal diffusivity value and heat transfer coefficient may be determined. According to the method presented in this study, the estimated of thermal diffusivity of aluminum and brass is 8.395 × 10-5 and 3.42 × 10-5 for a slab, 8.367 × 10-5 and 3.41 × 10-5 for a cylindrical rod and 8.385 × 10-5 and 3.40 × 10-5 m2/s for a spherical shape, respectively. The results showed there is close agreement between the values estimated here and those already published in the literature. The TAAD% is 0.42 and 0.39 for thermal diffusivity of aluminum and brass, respectively.

Performance of the fixed-bed of granular activated carbon for the removal of pesticides from water supply.

PubMed

Alves, Alcione Aparecida de Almeida; Ruiz, Giselle Louise de Oliveira; Nonato, Thyara Campos Martins; Müller, Laura Cecilia; Sens, Maurício Luiz

2018-02-26

The application of a fixed bed adsorption column of granular activated carbon (FBAC-GAC), in the removal of carbaryl, methomyl and carbofuran at a concentration of 25 μg L -1 for each carbamate, from the public water supply was investigated. For the determination of the presence of pesticides in the water supply, the analytical technique of high-performance liquid chromatography with post-column derivatization was used. Under conditions of constant diffusivity, the FBAC-GAC was saturated after 196 h of operation on a pilot scale. The exhaust rate of the granular activated carbon (GAC) in the FBAC-GAC until the point of saturation was 0.02 kg GAC m -3 of treated water. By comparing a rapid small-scale column test and FBAC-GAC, it was confirmed that the predominant intraparticle diffusivity in the adsorption column was constant diffusivity. Based on the results obtained on a pilot scale, it was possible to estimate the values to be applied in the FBAC-GAC (full scale) to remove the pesticides, which are particle size with an average diameter of 1.5 mm GAC; relationship between the internal diameter of the column and the average diameter of GAC ≥50 in order to avoid preferential flow near the adsorption column wall; surface application rate 240 m 3  m -2  d -1 and an empty bed contact time of 3 min. BV: bed volume; CD: constant diffusivity; EBCT: empty bed contact time; FBAC-GAC: fixed bed adsorption column of granular activated carbon; GAC: granular activated carbon; MPV: maximum permitted values; NOM: natural organic matter; PD: proportional diffusivity; pH PCZ : pH of the zero charge point; SAR: surface application rate; RSSCT: rapid small-scale column test; WTCS: water treated conventional system.

The economic feasibility of seawater desalination over the global scale: assessment of the production cost development and national water price until 2050

NASA Astrophysics Data System (ADS)

Gao, L.; Yoshikawa, S.; Iseri, Y.; Kanae, S.

2016-12-01

As many countries are suffering water scarcity due to the climate change and human activities, seawater desalination using reverse osmosis (SWRO) has shown to be a progressively promising countermeasure to satisfy the growing water demand. Therefore, the economic feasibility assessment of SWRO will be beneficial for the potential investors and policy-makers of government. In present study, it have proposed a systematic method to evaluate the economic feasibility of implementing SWRO in 140 counties and further estimated the potential future diffusion of SWRO over global scale by 2050. To the purpose, two models has been separately developed to simulate the production cost of SWRO and conventional water price, which are identified as the critical economic factors for feasibility evaluation of SWRO. These two models were firstly applied to historical validation in which proven to be able to well simulate both these two economic factors, and then were applied globally for future simulation over the period of 2015-2050 under three socioeconomic scenarios, i.e. SSP (Shared Socioeconomic Pathways) 1-3. Basin on the estimated production cost and water price, the economic feasibility of adopting SWRO coupling with its future potentialities were carefully evaluated. As a result, it indicated that SWRO was expected to be cost-effectively adopted in more countries by 2050, especially in these developing countries. The significant potential diffusion of SWRO in countries was mainly attributed to both the diminishing production cost and the increasing conventional water price as a result of income growth globally in three SSPs scenarios.

Methane flux from the Central Amazonian Floodplain

NASA Technical Reports Server (NTRS)

Bartlett, Karen B.; Crill, Patrick M.; Sebacher, Daniel I.; Harriss, Robert C.; Wilson, John O.; Melack, John M.

1987-01-01

A total of 186 methane measurements from the three primary Amazon floodplain environments of open water lakes, flood forests, and floating grass mats were made over the period 18 July through 2 September 1985. These data indicate that emissions were lowest over open water lakes. Flux from flooded forests and grass mats was significantly higher. At least three transport processes contribute to tropospheric emissions: ebullition from sediments, diffusion along the concentration gradient from sediment to overlaying water to air, and transport through the roots and stems of aquatic plants. Measurements indicate that the first two of these processes are most significant. It was estimated that on the average bubbling makes up 49% of the flux from open water, 54% of that from flooded forests, and 64% of that from floating mats. If the measurements were applied to the entire Amazonian floodplain, it is calculated that the region could supply up to 12% of the estimated global natural sources of methane.

The flushing and exchange of the South China Sea derived from salt and mass conservation

NASA Astrophysics Data System (ADS)

Liu, Yang; Bye, John A. T.; You, Yuzhu; Bao, Xianwen; Wu, Dexing

2010-07-01

In this paper, we use two kinds of hydrographic data, historical cruise data, Array for Real-time Geostrophic Oceanography (Argo) float data, and atmospheric data to study the water exchange between the South China Sea (SCS) and the Pacific Ocean through the Luzon Strait. The annual mean distributions of temperature and salinity at five different levels in the SCS and the adjacent Pacific Ocean are presented, which indicate the occurrence of active water exchange through the Luzon Strait. The flushing and exchange of the SCS are then determined by the application of salt and mass conservation in a multi-layered thermohaline system, using an estimate of the net rainfall obtained from reanalysis data. The results show that the annual mean flushing time is 44±8 months with an inflow rate of 11±2 Sv (1 Sv=10 6 m 3 s -1), part of which recirculates at a deeper level through the Luzon Strait, the remainder (6±2 Sv) forming the SCS throughflow. The diffusive influx of salt is also estimated and accounts for about 10% of the total influx, and hence advection dominates over diffusion in the water exchange through the Luzon Strait. The seasonal cycle of exchange shows a maximum in autumn and winter of about twice the annual mean rate.

Peclet number analysis of cross-flow in porous gas diffusion layer of polymer electrolyte membrane fuel cell (PEMFC).

PubMed

Suresh, P V; Jayanti, Sreenivas

2016-10-01

Adoption of hydrogen economy by means of using hydrogen fuel cells is one possible solution for energy crisis and climate change issues. Polymer electrolyte membrane (PEM) fuel cell, which is an important type of fuel cells, suffers from the problem of water management. Cross-flow is induced in some flow field designs to enhance the water removal. The presence of cross-flow in the serpentine and interdigitated flow fields makes them more effective in proper distribution of the reactants on the reaction layer and evacuation of water from the reaction layer than diffusion-based conventional parallel flow fields. However, too much of cross-flow leads to flow maldistribution in the channels, higher pressure drop, and membrane dehydration. In this study, an attempt has been made to quantify the amount of cross-flow required for effective distribution of reactants and removal of water in the gas diffusion layer. Unit cells containing two adjacent channels with gas diffusion layer (GDL) and catalyst layer at the bottom have been considered for the parallel, interdigitated, and serpentine flow patterns. Computational fluid dynamics-based simulations are carried out to study the reactant transport in under-the-rib area with cross-flow in the GDL. A new criterion based on the Peclet number is presented as a quantitative measure of cross-flow in the GDL. The study shows that a cross-flow Peclet number of the order of 2 is required for effective removal of water from the GDL. Estimates show that this much of cross-flow is not usually produced in the U-bends of Serpentine flow fields, making these areas prone to flooding.

Molecular diffusion of stable water isotopes in polar firn as a proxy for past temperatures

NASA Astrophysics Data System (ADS)

Holme, Christian; Gkinis, Vasileios; Vinther, Bo M.

2018-03-01

Polar precipitation archived in ice caps contains information on past temperature conditions. Such information can be retrieved by measuring the water isotopic signals of δ18O and δD in ice cores. These signals have been attenuated during densification due to molecular diffusion in the firn column, where the magnitude of the diffusion is isotopologue specific and temperature dependent. By utilizing the differential diffusion signal, dual isotope measurements of δ18O and δD enable multiple temperature reconstruction techniques. This study assesses how well six different methods can be used to reconstruct past surface temperatures from the diffusion-based temperature proxies. Two of the methods are based on the single diffusion lengths of δ18O and δD , three of the methods employ the differential diffusion signal, while the last uses the ratio between the single diffusion lengths. All techniques are tested on synthetic data in order to evaluate their accuracy and precision. We perform a benchmark test to thirteen high resolution Holocene data sets from Greenland and Antarctica, which represent a broad range of mean annual surface temperatures and accumulation rates. Based on the benchmark test, we comment on the accuracy and precision of the methods. Both the benchmark test and the synthetic data test demonstrate that the most precise reconstructions are obtained when using the single isotope diffusion lengths, with precisions of approximately 1.0 °C . In the benchmark test, the single isotope diffusion lengths are also found to reconstruct consistent temperatures with a root-mean-square-deviation of 0.7 °C . The techniques employing the differential diffusion signals are more uncertain, where the most precise method has a precision of 1.9 °C . The diffusion length ratio method is the least precise with a precision of 13.7 °C . The absolute temperature estimates from this method are also shown to be highly sensitive to the choice of fractionation factor parameterization.

Linking soil moisture balance and source-responsive models to estimate diffuse and preferential components of groundwater recharge

USGS Publications Warehouse

Cuthbert, M.O.; Mackay, R.; Nimmo, J.R.

2012-01-01

Results are presented of a detailed study into the vadose zone and shallow water table hydrodynamics of a field site in Shropshire, UK. A conceptual model is developed and tested using a range of numerical models, including a modified soil moisture balance model (SMBM) for estimating groundwater recharge in the presence of both diffuse and preferential flow components. Tensiometry reveals that the loamy sand topsoil wets up via macropore flow and subsequent redistribution of moisture into the soil matrix. Recharge does not occur until near-positive pressures are achieved at the top of the sandy glaciofluvial outwash material that underlies the topsoil, about 1 m above the water table. Once this occurs, very rapid water table rises follow. This threshold behaviour is attributed to the vertical discontinuity in the macropore system due to seasonal ploughing of the topsoil, and a lower permeability plough/iron pan restricting matrix flow between the topsoil and the lower outwash deposits. Although the wetting process in the topsoil is complex, a SMBM is shown to be effective in predicting the initiation of preferential flow from the base of the topsoil into the lower outwash horizon. The rapidity of the response at the water table and a water table rise during the summer period while flow gradients in the unsaturated profile were upward suggest that preferential flow is also occurring within the outwash deposits below the topsoil. A variation of the source-responsive model proposed by Nimmo (2010) is shown to reproduce the observed water table dynamics well in the lower outwash horizon when linked to a SMBM that quantifies the potential recharge from the topsoil. The results reveal new insights into preferential flow processes in cultivated soils and provide a useful and practical approach to accounting for preferential flow in studies of groundwater recharge estimation.

The Solar Ultraviolet Environment at the Ocean.

PubMed

Mobley, Curtis D; Diffey, Brian L

2018-05-01

Atmospheric and oceanic radiative transfer models were used to compute spectral radiances between 285 and 400 nm onto horizontal and vertical plane surfaces over water. The calculations kept track of the contributions by the sun's direct beam, by diffuse-sky radiance, by radiance reflected from the sea surface and by water-leaving radiance. Clear, hazy and cloudy sky conditions were simulated for a range of solar zenith angles, wind speeds and atmospheric ozone concentrations. The radiances were used to estimate erythemal exposures due to the sun and sky, as well as from radiation reflected by the sea surface and backscattered from the water column. Diffuse-sky irradiance is usually greater than direct-sun irradiance at wavelengths below 330 nm, and reflected and water-leaving irradiance accounts for <20% of the UV exposure on a vertical surface. Total exposure depends strongly on solar zenith angle and azimuth angle relative to the sun. Sea surface roughness affects the UV exposures by only a few percent. For very clear waters and the sun high in the sky, the UV index within the water can be >10 at depths down to two meters and >6 down to 5 m. © 2018 The American Society of Photobiology.

Dynamic characterization of external and internal mass transport in heterotrophic biofilms from microsensors measurements.

PubMed

Guimerà, Xavier; Dorado, Antonio David; Bonsfills, Anna; Gabriel, Gemma; Gabriel, David; Gamisans, Xavier

2016-10-01

Knowledge of mass transport mechanisms in biofilm-based technologies such as biofilters is essential to improve bioreactors performance by preventing mass transport limitation. External and internal mass transport in biofilms was characterized in heterotrophic biofilms grown on a flat plate bioreactor. Mass transport resistance through the liquid-biofilm interphase and diffusion within biofilms were quantified by in situ measurements using microsensors with a high spatial resolution (<50 μm). Experimental conditions were selected using a mathematical procedure based on the Fisher Information Matrix to increase the reliability of experimental data and minimize confidence intervals of estimated mass transport coefficients. The sensitivity of external and internal mass transport resistances to flow conditions within the range of typical fluid velocities over biofilms (Reynolds numbers between 0.5 and 7) was assessed. Estimated external mass transfer coefficients at different liquid phase flow velocities showed discrepancies with studies considering laminar conditions in the diffusive boundary layer near the liquid-biofilm interphase. The correlation of effective diffusivity with flow velocities showed that the heterogeneous structure of biofilms defines the transport mechanisms inside biofilms. Internal mass transport was driven by diffusion through cell clusters and aggregates at Re below 2.8. Conversely, mass transport was driven by advection within pores, voids and water channels at Re above 5.6. Between both flow velocities, mass transport occurred by a combination of advection and diffusion. Effective diffusivities estimated at different biofilm densities showed a linear increase of mass transport resistance due to a porosity decrease up to biofilm densities of 50 g VSS·L(-1). Mass transport was strongly limited at higher biofilm densities. Internal mass transport results were used to propose an empirical correlation to assess the effective diffusivity within biofilms considering the influence of hydrodynamics and biofilm density. Copyright © 2016 Elsevier Ltd. All rights reserved.

Structure, hydrolysis, and diffusion of aqueous vanadium ions from Car-Parrinello molecular dynamics

NASA Astrophysics Data System (ADS)

Jiang, Zhen; Klyukin, Konstantin; Alexandrov, Vitaly

2016-09-01

A molecular level understanding of the properties of electroactive vanadium species in aqueous solution is crucial for enhancing the performance of vanadium redox flow batteries. Here, we employ Car-Parrinello molecular dynamics simulations based on density functional theory to investigate the hydration structures, first hydrolysis reaction, and diffusion of aqueous V2+, V3+, VO2+, and VO 2+ ions at 300 K. The results indicate that the first hydration shell of both V2+ and V3+ contains six water molecules, while VO2+ is coordinated to five and VO 2+ to three water ligands. The first acidity constants (pKa) estimated using metadynamics simulations are 2.47, 3.06, and 5.38 for aqueous V3+, VO 2+ , and VO2+, respectively, while V2+ is predicted to be a fairly weak acid in aqueous solution with a pKa value of 6.22. We also show that the presence of chloride ions in the first coordination sphere of the aqueous VO 2+ ion has a significant impact on water hydrolysis leading to a much higher pKa value of 4.8. This should result in a lower propensity of aqueous VO 2+ for oxide precipitation reaction in agreement with experimental observations for chloride-based electrolyte solutions. The computed diffusion coefficients of vanadium species in water at room temperature are found to increase as V 3 + < VO 2 + < V O 2 + < V 2 + and thus correlate with the simulated hydrolysis constants, namely, the higher the pKa value, the greater the diffusion coefficient.

Symplastic Transport of Carboxyfluorescein in Staminal Hairs of Setcreasea purpurea Is Diffusive and Includes Loss to the Vacuole.

PubMed

Tucker, J E; Mauzerall, D; Tucker, E B

1989-07-01

The kinetics of symplastic transport in staminal hairs of Setcreasea purpurea was studied. The tip cell of a staminal hair was microinjected with carboxyfluorescein (CF) and the symplastic transport of this CF was videotaped and the digital data analyzed to produce kinetic curves. Using a finite difference equation for diffusion between cells and for loss of dye into the vacuole, kinetic curves were calculated and fitted to the observed data. These curves were matched with data from actual microinjection experiments by adjusting K (the coefficient of intercellular junction diffusion) and L (the coefficient of intracellular loss) until a minimum in the least squares difference between the curves was obtained. (a) Symplastic transport of CF was governed by diffusion through intercellular pores (plasmodesmata) and intracellular loss. Diffusion within the cell cytoplasm was never limiting. (b) Each cell and its plasmodesmata must be considered as its own diffusion system. Therefore, a diffusion coefficient cannot be calculated for an entire chain of cells. (c) The movement through plasmodesmata in either direction was the same since the data are fit by a diffusion equation. (d) Diffusion through the intercellular pores was estimated to be slower than diffusion through similar pores filled with water.

Symplastic Transport of Carboxyfluorescein in Staminal Hairs of Setcreasea purpurea Is Diffusive and Includes Loss to the Vacuole 1

PubMed Central

Tucker, Joseph E.; Mauzerall, David; Tucker, Edward B.

1989-01-01

The kinetics of symplastic transport in staminal hairs of Setcreasea purpurea was studied. The tip cell of a staminal hair was microinjected with carboxyfluorescein (CF) and the symplastic transport of this CF was videotaped and the digital data analyzed to produce kinetic curves. Using a finite difference equation for diffusion between cells and for loss of dye into the vacuole, kinetic curves were calculated and fitted to the observed data. These curves were matched with data from actual microinjection experiments by adjusting K (the coefficient of intercellular junction diffusion) and L (the coefficient of intracellular loss) until a minimum in the least squares difference between the curves was obtained. (a) Symplastic transport of CF was governed by diffusion through intercellular pores (plasmodesmata) and intracellular loss. Diffusion within the cell cytoplasm was never limiting. (b) Each cell and its plasmodesmata must be considered as its own diffusion system. Therefore, a diffusion coefficient cannot be calculated for an entire chain of cells. (c) The movement through plasmodesmata in either direction was the same since the data are fit by a diffusion equation. (d) Diffusion through the intercellular pores was estimated to be slower than diffusion through similar pores filled with water. PMID:16666864

Considerations for use of the RORA program to estimate ground-water recharge from streamflow records

USGS Publications Warehouse

Rutledge, A.T.

2000-01-01

The RORA program can be used to estimate ground-water recharge in a basin from analysis of a streamflow record. The program can be appropriate for use if the ground-water flow system is characterized by diffuse areal recharge to the water table and discharge to a stream. The use of the program requires an estimate of a recession index, which is the time required for ground-water discharge to recede by one log cycle after recession becomes linear or near-linear on the semilog hydrograph. Although considerable uncertainty is inherent in the recession index, the results of the RORA program may not be sensitive to this variable. Testing shows that the program can yield consistent estimates under conditions that include leakage to or from deeper aquifers and ground-water evapotranspiration. These tests indicate that RORA estimates the net recharge, which is recharge to the water table minus leakage to a deeper aquifer, or recharge minus ground-water evapotranspiration. Before the program begins making calculations it designates days that fit a requirement of antecedent recession, and these days are used in calculations. The program user might increase the antecedent-recession requirement above its default value to reduce the influence of errors that are caused by direct-surface runoff, but other errors can result from the reduction in the number of peaks detected. To obtain an understanding of flow systems, results from the RORA program might be used in conjunction with other methods such as analysis of ground-water levels, estimates of ground-water discharge from other forms of hydrograph separation, and low-flow variables. Relations among variables may be complex for a variety of reasons; for example, there may not be a unique relation between ground-water level and ground-water discharge, ground-water recharge and discharge are not synchronous, and low-flow variables can be related to other factors such as the recession index.

Parsimonious Continuous Time Random Walk Models and Kurtosis for Diffusion in Magnetic Resonance of Biological Tissue

NASA Astrophysics Data System (ADS)

Ingo, Carson; Sui, Yi; Chen, Yufen; Parrish, Todd; Webb, Andrew; Ronen, Itamar

2015-03-01

In this paper, we provide a context for the modeling approaches that have been developed to describe non-Gaussian diffusion behavior, which is ubiquitous in diffusion weighted magnetic resonance imaging of water in biological tissue. Subsequently, we focus on the formalism of the continuous time random walk theory to extract properties of subdiffusion and superdiffusion through novel simplifications of the Mittag-Leffler function. For the case of time-fractional subdiffusion, we compute the kurtosis for the Mittag-Leffler function, which provides both a connection and physical context to the much-used approach of diffusional kurtosis imaging. We provide Monte Carlo simulations to illustrate the concepts of anomalous diffusion as stochastic processes of the random walk. Finally, we demonstrate the clinical utility of the Mittag-Leffler function as a model to describe tissue microstructure through estimations of subdiffusion and kurtosis with diffusion MRI measurements in the brain of a chronic ischemic stroke patient.

Microscale diffusion measurements and simulation of a scaffold with a permeable strut.

PubMed

Lee, Seung Youl; Lee, Byung Ryong; Lee, Jongwan; Kim, Seongjun; Kim, Jung Kyung; Jeong, Young Hun; Jin, Songwan

2013-10-10

Electrospun nanofibrous structures provide good performance to scaffolds in tissue engineering. We measured the local diffusion coefficients of 3-kDa FITC-dextran in line patterns of electrospun nanofibrous structures fabricated by the direct-write electrospinning (DWES) technique using the fluorescence recovery after photobleaching (FRAP) method. No significant differences were detected between DWES line patterns fabricated with polymer supplied at flow rates of 0.1 and 0.5 mL/h. The oxygen diffusion coefficients of samples were estimated to be ~92%-94% of the oxygen diffusion coefficient in water based on the measured diffusion coefficient of 3-kDa FITC-dextran. We also simulated cell growth and distribution within spatially patterned scaffolds with struts consisting of either oxygen-permeable or non-permeable material. The permeable strut scaffolds exhibited enhanced cell growth. Saturated depths at which cells could grow to confluence were 15% deeper for the permeable strut scaffolds than for the non-permeable strut scaffold.

Evaluation and comparison of diffusion MR methods for measuring apparent transcytolemmal water exchange rate constant

NASA Astrophysics Data System (ADS)

Tian, Xin; Li, Hua; Jiang, Xiaoyu; Xie, Jingping; Gore, John C.; Xu, Junzhong

2017-02-01

Two diffusion-based approaches, CG (constant gradient) and FEXI (filtered exchange imaging) methods, have been previously proposed for measuring transcytolemmal water exchange rate constant kin, but their accuracy and feasibility have not been comprehensively evaluated and compared. In this work, both computer simulations and cell experiments in vitro were performed to evaluate these two methods. Simulations were done with different cell diameters (5, 10, 20 μm), a broad range of kin values (0.02-30 s-1) and different SNR's, and simulated kin's were directly compared with the ground truth values. Human leukemia K562 cells were cultured and treated with saponin to selectively change cell transmembrane permeability. The agreement between measured kin's of both methods was also evaluated. The results suggest that, without noise, the CG method provides reasonably accurate estimation of kin especially when it is smaller than 10 s-1, which is in the typical physiological range of many biological tissues. However, although the FEXI method overestimates kin even with corrections for the effects of extracellular water fraction, it provides reasonable estimates with practical SNR's and more importantly, the fitted apparent exchange rate AXR showed approximately linear dependence on the ground truth kin. In conclusion, either CG or FEXI method provides a sensitive means to characterize the variations in transcytolemmal water exchange rate constant kin, although the accuracy and specificity is usually compromised. The non-imaging CG method provides more accurate estimation of kin, but limited to large volume-of-interest. Although the accuracy of FEXI is compromised with extracellular volume fraction, it is capable of spatially mapping kin in practice.

Determination of silicone rubber and low-density polyethylene diffusion and polymer/water partition coefficients for emerging contaminants.

PubMed

Pintado-Herrera, Marina G; Lara-Martín, Pablo A; González-Mazo, Eduardo; Allan, Ian J

2016-09-01

There is a growing interest in assessing the concentration and distribution of new nonregulated organic compounds (emerging contaminants) in the environment. The measurement of freely dissolved concentrations using conventional approaches is challenging because of the low concentrations that may be encountered and their temporally variable emissions. Absorption-based passive sampling enables the estimation of freely dissolved concentrations of hydrophobic contaminants of emerging concern in water. In the present study, calibration was undertaken for 2 polymers, low-density polyethylene (LDPE) and silicone rubber for 11 fragrances, 5 endocrine-disrupting compounds, 7 ultraviolet (UV) filters, and 8 organophosphate flame retardant compounds. Batch experiments were performed to estimate contaminant diffusion coefficients in the polymers (Dp ), which in general decreased with increasing molecular weight. The values for fragrances, endocrine-disrupting compounds, and UV filters were in ranges similar to those previously reported for polycyclic aromatic hydrocarbons, but were 1 order of magnitude lower for organophosphate flame retardant compounds. Silicone rubber had higher Dp values than LDPE and was therefore selected for further experiments to calculate polymer/water partition coefficients (KPW ). The authors observed a positive correlation between log KPW and log octanol/water partition coefficient values. Field testing of silicone rubber passive samplers was undertaken though exposure in the River Alna (Norway) for an exposure time of 21 d to estimate freely dissolved concentration. Some fragrances and UV filters were predominant over other emerging and regulated contaminants, at levels up to 1600 ng L(-1) for galaxolide and 448 ng L(-1) for octocrylene. Environ Toxicol Chem 2016;35:2162-2172. © 2016 SETAC. © 2016 SETAC.

Water-budget methods

USGS Publications Warehouse

Healy, Richard W.; Scanlon, Bridget R.

2010-01-01

A water budget is an accounting of water movement into and out of, and storage change within, some control volume. Universal and adaptable are adjectives that reflect key features of water-budget methods for estimating recharge. The universal concept of mass conservation of water implies that water-budget methods are applicable over any space and time scales (Healy et al., 2007). The water budget of a soil column in a laboratory can be studied at scales of millimeters and seconds. A water-budget equation is also an integral component of atmospheric general circulation models used to predict global climates over periods of decades or more. Water-budget equations can be easily customized by adding or removing terms to accurately portray the peculiarities of any hydrologic system. The equations are generally not bound by assumptions on mechanisms by which water moves into, through, and out of the control volume of interest. So water-budget methods can be used to estimate both diffuse and focused recharge, and recharge estimates are unaffected by phenomena such as preferential flow paths within the unsaturated zone.Water-budget methods represent the largest class of techniques for estimating recharge. Most hydrologic models are derived from a water-budget equation and can therefore be classified as water-budget models. It is not feasible to address all water-budget methods in a single chapter. This chapter is limited to discussion of the “residual” water-budget approach, whereby all variables in a water-budget equation, except for recharge, are independently measured or estimated and recharge is set equal to the residual. This chapter is closely linked with Chapter 3, on modeling methods, because the equations presented here form the basis of many models and because models are often used to estimate individual components in water-budget studies. Water budgets for streams and other surface-water bodies are addressed in Chapter 4. The use of soil-water budgets and lysimeters for determining potential recharge and evapotranspiration from changes in water storage is discussed in Chapter 5. Aquifer water-budget methods based on the measurement of groundwater levels are described in Chapter 6.

Constraining Water Vapor Abundance on Mars using a Coupled Heat-Water Transport Model and Seasonal Frost Observations

NASA Astrophysics Data System (ADS)

Bapst, J.; Byrne, S.

2016-12-01

The stability of water ice on Mars' surface is determined by its temperature and the density of water vapor at the bottom of the atmosphere. Multiple orbiting instruments have been used to study column-integrated water abundance in the martian atmosphere, resolving the global annual water cycle. However, poor knowledge of the vertical distribution of water makes constraining its abundance near the surface difficult. One must assume a mixing regime to produce surface vapor density estimates. More indirectly, one can use the appearance and disappearance of seasonal water frost, along with ice stability models, to estimate this value. Here, we use derived temperature and surface reflectance data from MGS TES to constrain a 1-D thermal diffusion model, which is coupled to an atmospheric water transport model. TES temperatures are used to constrain thermal properties of our modeled subsurface, while changes in TES albedo can be used to determine the timing of water frost. We tune the density of water vapor in the atmospheric model to match the observed seasonal water frost timing in the northern hemisphere, poleward of 45°N. Thus, we produce a new estimate for the water abundance in the lower atmosphere of Mars and how it varies seasonally and geographically. The timing of water frost can be ambiguous in TES data, especially at lower latitudes where the albedo contrast between frosted and unfrosted surfaces is lower (presumably due to lesser areal coverage of water frost). The uncertainty in frost timing with our approach is <20° LS ( 40 sols), and will be used to define upper and lower bounds in our estimate of vapor density. The implications of our derived vapor densities on the stability of surface and subsurface water ice will be discussed.

Analysis of electron transfer processes across liquid/liquid interfaces: estimation of free energy of activation using diffuse boundary model.

PubMed

Harinipriya, S; Sangaranarayanan, M V

2006-01-31

The evaluation of the free energy of activation pertaining to the electron-transfer reactions occurring at liquid/liquid interfaces is carried out employing a diffuse boundary model. The interfacial solvation numbers are estimated using a lattice gas model under the quasichemical approximation. The standard reduction potentials of the redox couples, appropriate inner potential differences, dielectric permittivities, as well as the width of the interface are included in the analysis. The methodology is applied to the reaction between [Fe(CN)6](3-/4-) and [Lu(biphthalocyanine)](3+/4+) at water/1,2-dichloroethane interface. The rate-determining step is inferred from the estimated free energy of activation for the constituent processes. The results indicate that the solvent shielding effect and the desolvation of the reactants at the interface play a central role in dictating the free energy of activation. The heterogeneous electron-transfer rate constant is evaluated from the molar reaction volume and the frequency factor.

Turbulent mixing within the Kuroshio in the Tokara Strait

NASA Astrophysics Data System (ADS)

Tsutsumi, Eisuke; Matsuno, Takeshi; Lien, Ren-Chieh; Nakamura, Hirohiko; Senjyu, Tomoharu; Guo, Xinyu

2017-09-01

Turbulent mixing and background current were observed using a microstructure profiler and acoustic Doppler current profilers in the Tokara Strait, where many seamounts and small islands exist within the route of the Kuroshio in the East China Sea. Vertical structure and water properties of the Kuroshio were greatly modified downstream from shallow seamounts. In the lee of a seamount crest at 200 m depth, the modification made the flow tend to shear instability, and the vertical eddy diffusivity is enhanced by nearly 100 times that of the upstream site, to Kρ ˜ O(10-3)-O(10-2) m2 s-1. A one-dimensional diffusion model using the observed eddy diffusivity reproduced the observed downstream evolution of the temperature-salinity profile. However, the estimated diffusion time-scale is at least 10 times longer than the observed advection time-scale. This suggests that the eddy diffusivity reaches to O(10-1) m2 s-1 in the vicinity of the seamount. At a site away from the abrupt topography, eddy diffusivity was also elevated to O(10-3) m2 s-1, and was associated with shear instability presumably induced by the Kuroshio shear and near-inertial internal-wave shear. Our study suggests that a better prediction of current, water-mass properties, and nutrients within the Kuroshio requires accurate understanding and parameterization of flow-topography interaction such as internal hydraulics, the associated internal-wave processes, and turbulent mixing processes.

Genetic relatedness of axial and radial diffusivity indices of cerebral white matter microstructure in late middle age.

PubMed

Hatton, Sean N; Panizzon, Matthew S; Vuoksimaa, Eero; Hagler, Donald J; Fennema-Notestine, Christine; Rinker, Daniel; Eyler, Lisa T; Franz, Carol E; Lyons, Michael J; Neale, Michael C; Tsuang, Ming T; Dale, Anders M; Kremen, William S

2018-05-01

Two basic neuroimaging-based characterizations of white matter tracts are the magnitude of water diffusion along the principal tract orientation (axial diffusivity, AD) and water diffusion perpendicular to the principal orientation (radial diffusivity, RD). It is generally accepted that decreases in AD reflect disorganization, damage, or loss of axons, whereas increases in RD are indicative of disruptions to the myelin sheath. Previous reports have detailed the heritability of individual AD and RD measures, but have not examined the extent to which the same or different genetic or environmental factors influence these two phenotypes (except for corpus callosum). We implemented bivariate twin analyses to examine the shared and independent genetic influences on AD and RD. In the Vietnam Era Twin Study of Aging, 393 men (mean age = 61.8 years, SD = 2.6) underwent diffusion-weighted magnetic resonance imaging. We derived fractional anisotropy (FA), mean diffusivity (MD), AD, and RD estimates for 11 major bilateral white matter tracts and the mid-hemispheric corpus callosum, forceps major, and forceps minor. Separately, AD and RD were each highly heritable. In about three-quarters of the tracts, genetic correlations between AD and RD were >.50 (median = .67) and showed both unique and common variance. Genetic variance of FA and MD were predominately explained by RD over AD. These findings are important for informing genetic association studies of axonal coherence/damage and myelination/demyelination. Thus, genetic studies would benefit from examining the shared and unique contributions of AD and RD. © 2018 Wiley Periodicals, Inc.

Dynamics of glycerine and water transport across human skin from binary mixtures.

PubMed

Ventura, S A; Kasting, G B

2017-04-01

Skin transport properties of glycerine and water from binary mixtures contacting human skin were determined to better understand the mechanism of skin moisturization by aqueous glycerine formulations. Steady-state permeation for 3 H 2 O and 14 C-glycerine across split-thickness human skin in vitro and desorption dynamics of the same permeants in isolated human stratum corneum (HSC) were experimentally determined under near equilibrium conditions. These data were compared to a priori values developed in the context of a thermodynamic model for binary mixtures of glycerine and water and a previously determined water sorption isotherm for HSC. This allowed the estimation of diffusion and partition coefficients for each permeant in the HSC, as well as HSC thickness, as a function of composition of the contacting solution. These data may be used to estimate water retention and associated HSC swelling related to the absorption and slow release of glycerine from the skin. It took 6+ days for glycerine to completely desorb from HSC immersed in glycerine/water binary solutions. Desorption of both 3 H 2 O and 14 C-glycerine from HSC was slower in pure water than from binary mixtures, a result that is largely explained by the greater swelling of HSC in water. Parametric relationships were developed for water and glycerine intradiffusivities in HSC as functions of HSC water content, and a mutual diffusion coefficient was estimated by analogy with glycerine/water binary solutions. The intradiffusivity of 14 C-glycerine in HSC as inferred from sorption/desorption experiments was shown to be approximately 10-fold less than that inferred from permeation experiments, whereas the corresponding values for 3 H 2 O were comparable. These studies confirm that glycerine enters HSC in substantial quantities and has a long residence time therein. The coupling between bulk water and glycerine transport projected from binary solution data suggests the net effect of glycerine is to slow water loss from the skin. The data support the concept of glycerine as a humectant with an excellent balance of skin penetration and retention characteristics; however, they do not rule out the possibility of an additional biological effect on skin barrier homoeostasis. © 2016 Society of Cosmetic Scientists and the Société Française de Cosmétologie.

Analysis and estimation of service life of corrosion prevention materials using diffusion, resistivity and accelerated curing for new bridge structures : volume 1 : corrosion prevention materials (monitoring and forensic examination).

DOT National Transportation Integrated Search

2013-12-01

This investigation compiles the results describing the performance of: a) reinforced concrete specimens cast with : 0.37 water to cementitious (w/cm) and binary blends of high performance concrete; the specimens have been : exposed to seawater wet/dr...

Thermal dye double indicator dilution measurement of lung water in man: comparison with gravimetric measurements.

PubMed Central

Mihm, F G; Feeley, T W; Jamieson, S W

1987-01-01

The thermal dye double indicator dilution technique for estimating lung water was compared with gravimetric analyses in nine human subjects who were organ donors. As observed in animal studies, the thermal dye measurement of extravascular thermal volume (EVTV) consistently overestimated gravimetric extravascular lung water (EVLW), the mean (SEM) difference being 3.43 (0.59) ml/kg. In eight of the nine subjects the EVTV -3.43 ml/kg would yield an estimate of EVLW that would be from 3.23 ml/kg under to 3.37 ml/kg over the actual value EVLW at the 95% confidence limits. Reproducibility, assessed with the standard error of the mean percentage, suggested that a 15% change in EVTV can be reliably detected with repeated measurements. One subject was excluded from analysis because the EVTV measurement grossly underestimated its actual EVLW. This error was associated with regional injury observed on gross examination of the lung. Experimental and clinical evidence suggest that the thermal dye measurement provides a reliable estimate of lung water in diffuse pulmonary oedema states. PMID:3616974

Kinetic isotopic fractionation during diffusion of ionic species in water

NASA Astrophysics Data System (ADS)

Richter, Frank M.; Mendybaev, Ruslan A.; Christensen, John N.; Hutcheon, Ian D.; Williams, Ross W.; Sturchio, Neil C.; Beloso, Abelardo D.

2006-01-01

Experiments specifically designed to measure the ratio of the diffusivities of ions dissolved in water were used to determine DLi/DK,D/D,D/D,D/D,andD/D. The measured ratio of the diffusion coefficients for Li and K in water (D Li/D K = 0.6) is in good agreement with published data, providing evidence that the experimental design being used resolves the relative mobility of ions with adequate precision to also be used for determining the fractionation of isotopes by diffusion in water. In the case of Li, we found measurable isotopic fractionation associated with the diffusion of dissolved LiCl (D/D=0.99772±0.00026). This difference in the diffusion coefficient of 7Li compared to 6Li is significantly less than that reported in an earlier study, a difference we attribute to the fact that in the earlier study Li diffused through a membrane separating the water reservoirs. Our experiments involving Mg diffusing in water found no measurable isotopic fractionation (D/D=1.00003±0.00006). Cl isotopes were fractionated during diffusion in water (D/D=0.99857±0.00080) whether or not the co-diffuser (Li or Mg) was isotopically fractionated. The isotopic fractionation associated with the diffusion of ions in water is much smaller than values we found previously for the isotopic fractionation of Li and Ca isotopes by diffusion in molten silicate liquids. A major distinction between water and silicate liquids is that water surrounds dissolved ions with hydration shells, which very likely play an important but still poorly understood role in limiting the isotopic fractionation associated with diffusion.

Monitoring water phase dynamics in winter clouds

NASA Astrophysics Data System (ADS)

Campos, Edwin F.; Ware, Randolph; Joe, Paul; Hudak, David

2014-10-01

This work presents observations of water phase dynamics that demonstrate the theoretical Wegener-Bergeron-Findeisen concepts in mixed-phase winter storms. The work analyzes vertical profiles of air vapor pressure, and equilibrium vapor pressure over liquid water and ice. Based only on the magnitude ranking of these vapor pressures, we identified conditions where liquid droplets and ice particles grow or deplete simultaneously, as well as the conditions where droplets evaporate and ice particles grow by vapor diffusion. The method is applied to ground-based remote-sensing observations during two snowstorms, using two distinct microwave profiling radiometers operating in different climatic regions (North American Central High Plains and Great Lakes). The results are compared with independent microwave radiometer retrievals of vertically integrated liquid water, cloud-base estimates from a co-located ceilometer, reflectivity factor and Doppler velocity observations by nearby vertically pointing radars, and radiometer estimates of liquid water layers aloft. This work thus makes a positive contribution toward monitoring and nowcasting the evolution of supercooled droplets in winter clouds.

Monitoring water phase dynamics in winter clouds

DOE PAGES

Campos, Edwin F.; Ware, Randolph; Joe, Paul; ...

2014-10-01

This work presents observations of water phase dynamics that demonstrate the theoretical Wegener–Bergeron–Findeisen concepts in mixed-phase winter storms. The work analyzes vertical profiles of air vapor pressure, and equilibrium vapor pressure over liquid water and ice. Based only on the magnitude ranking of these vapor pressures, we identified conditions where liquid droplets and ice particles grow or deplete simultaneously, as well as the conditions where droplets evaporate and ice particles grow by vapor diffusion. The method is applied to ground-based remote-sensing observations during two snowstorms, using two distinct microwave profiling radiometers operating in different climatic regions (North American Central Highmore » Plains and Great Lakes). The results are compared with independent microwave radiometer retrievals of vertically integrated liquid water, cloud-base estimates from a co-located ceilometer, reflectivity factor and Doppler velocity observations by nearby vertically pointing radars, and radiometer estimates of liquid water layers aloft. This work thus makes a positive contribution toward monitoring and now casting the evolution of supercooled droplets in winter clouds.« less

Microstructure and hydrogen bonding in water-acetonitrile mixtures.

PubMed

Mountain, Raymond D

2010-12-16

The connection of hydrogen bonding between water and acetonitrile in determining the microheterogeneity of the liquid mixture is examined using NPT molecular dynamics simulations. Mixtures for six, rigid, three-site models for acetonitrile and one water model (SPC/E) were simulated to determine the amount of water-acetonitrile hydrogen bonding. Only one of the six acetonitrile models (TraPPE-UA) was able to reproduce both the liquid density and the experimental estimates of hydrogen bonding derived from Raman scattering of the CN stretch band or from NMR quadrupole relaxation measurements. A simple modification of the acetonitrile model parameters for the models that provided poor estimates produced hydrogen-bonding results consistent with experiments for two of the models. Of these, only one of the modified models also accurately determined the density of the mixtures. The self-diffusion coefficient of liquid acetonitrile provided a final winnowing of the modified model and the successful, unmodified model. The unmodified model is provisionally recommended for simulations of water-acetonitrile mixtures.

Vertical eddy diffusion coefficient from the LANDSAT imagery

NASA Technical Reports Server (NTRS)

Viswanadham, Y. (Principal Investigator); Torsani, J. A.

1982-01-01

Analysis of five stable cases of the smoke plumes that originated in eastern Cabo Frio (22 deg 59'S; 42 deg 02'W), Brazil using LANDSAT imagery is presented for different months and years. From these images the lateral standard deviation (sigma sub y) and the lateral eddy diffusion coefficient (K sub y) are obtained from the formula based on Taylor's theory of diffusion by continuous moment. The rate of kinetic energy dissipation (e) is evaluated from the diffusion parameters sigma sub y and K sub y. Then, the vertical diffusion coefficient (K sub z) is estimated using Weinstock's formulation. These results agree well with the previous experimental values obtained over water surfaces by various workers. Values of e and K sub z show the weaker mixing processes in the marine stable boundary layer. The data sample is apparently to small to include representative active turbulent regions because such regions are so intermittent in time and in space. These results form a data base for use in the development and validation of mesoscale atmospheric diffusion models.

Estimating Past Temperature Change in Antarctica Based on Ice Core Stable Water Isotope Diffusion

NASA Astrophysics Data System (ADS)

Kahle, E. C.; Markle, B. R.; Holme, C.; Jones, T. R.; Steig, E. J.

2017-12-01

The magnitude of the last glacial-interglacial transition is a key target for constraining climate sensitivity on long timescales. Ice core proxy records and general circulation models (GCMs) both provide insight on the magnitude of climate change through the last glacial-interglacial transition, but appear to provide different answers. In particular, the magnitude of the glacial-interglacial temperature change reconstructed from East Antarctic ice-core water-isotope records is greater ( 9 degrees C) than that from most GCM simulations ( 6 degrees C). A possible source of this difference is error in the linear-scaling of water isotopes to temperature. We employ a novel, nonlinear temperature-reconstruction technique using the physics of water-isotope diffusion to infer past temperature. Based on new, ice-core data from the South Pole, this diffusion technique suggests East Antarctic temperature change was smaller than previously thought. We are able to confirm this result using a simple, water-isotope fractionation model to nonlinearly reconstruct temperature change at ice core locations across Antarctica based on combined oxygen and hydrogen isotope ratios. Both methods produce a temperature change of 6 degrees C for South Pole, agreeing with GCM results for East Antarctica. Furthermore, both produce much larger changes in West Antarctica, also in agreement with GCM results and independent borehole thermometry. These results support the fidelity of GCMs in simulating last glacial maximum climate, and contradict the idea, based on previous work, that the climate sensitivity of current GCMs is too low.

Mass transfer kinetics during osmotic dehydration of pomegranate arils.

PubMed

Mundada, Manoj; Hathan, Bahadur Singh; Maske, Swati

2011-01-01

The mass transfer kinetics during osmotic dehydration of pomegranate arils in osmotic solution of sucrose was studied to increase palatability and shelf life of arils. The freezing of the whole pomegranate at -18 °C was carried out prior to osmotic dehydration to increase the permeability of the outer cellular layer of the arils. The osmotic solution concentrations used were 40, 50, 60°Bx, osmotic solution temperatures were 35, 45, 55 °C. The fruit to solution ratio was kept 1:4 (w/w) during all the experiments and the process duration varied from 0 to 240 min. Azuara model and Peleg model were the best fitted as compared to other models for water loss and solute gain of pomegranate arils, respectively. Generalized Exponential Model had an excellent fit for water loss ratio and solute gain ratio of pomegranate arils. Effective moisture diffusivity of water as well as solute was estimated using the analytical solution of Fick's law of diffusion. For above conditions of osmotic dehydration, average effective diffusivity of water loss and solute gain varied from 2.718 × 10(-10) to 5.124 × 10(-10) m(2)/s and 1.471 × 10(-10) to 5.147 × 10(-10) m(2)/s, respectively. The final product was successfully utilized in some nutritional formulations such as ice cream and bakery products.

The effects of dual-domain mass transfer on the tritium-helium-3 dating method.

PubMed

Neumann, Rebecca B; Labolle, Eric M; Harvey, Charles F

2008-07-01

Diffusion of tritiated water (referred to as tritium) and helium-3 between mobile and immobile regions in aquifers (mass transfer) can affect tritium and helium-3 concentrations and hence tritium-helium-3 (3H/3He) ages that are used to estimate aquifer recharge and groundwater residence times. Tritium and helium-3 chromatographically separate during transport because their molecular diffusion coefficients differ. Simulations of tritium and helium-3 transport and diffusive mass transfer along stream tubes show that mass transfer can shift the 3H/3He age of the tritium and helium-3 concentration ([3H + 3He]) peak to dates much younger than the 1963 peak in atmospheric tritium. Furthermore, diffusive mass-transfer can cause the 3H/3He age to become younger downstream along a stream tube, even as the mean water-age must increase. Simulated patterns of [3H + 3He] versus 3H/3He age using a mass transfer model appear consistent with a variety of field data. These results suggest that diffusive mass transfer should be considered, especially when the [3H + 3He] peak is not well defined or appears younger than the atmospheric peak. 3H/3He data provide information about upstream mass-transfer processes that could be used to constrain mass-transfer models; however, uncritical acceptance of 3H/3He dates from aquifers with immobile regions could be misleading.

Improved vertical streambed flux estimation using multiple diurnal temperature methods in series

USGS Publications Warehouse

Irvine, Dylan J.; Briggs, Martin A.; Cartwright, Ian; Scruggs, Courtney; Lautz, Laura K.

2017-01-01

Analytical solutions that use diurnal temperature signals to estimate vertical fluxes between groundwater and surface water based on either amplitude ratios (Ar) or phase shifts (Δϕ) produce results that rarely agree. Analytical solutions that simultaneously utilize Ar and Δϕ within a single solution have more recently been derived, decreasing uncertainty in flux estimates in some applications. Benefits of combined (ArΔϕ) methods also include that thermal diffusivity and sensor spacing can be calculated. However, poor identification of either Ar or Δϕ from raw temperature signals can lead to erratic parameter estimates from ArΔϕ methods. An add-on program for VFLUX 2 is presented to address this issue. Using thermal diffusivity selected from an ArΔϕ method during a reliable time period, fluxes are recalculated using an Ar method. This approach maximizes the benefits of the Ar and ArΔϕ methods. Additionally, sensor spacing calculations can be used to identify periods with unreliable flux estimates, or to assess streambed scour. Using synthetic and field examples, the use of these solutions in series was particularly useful for gaining conditions where fluxes exceeded 1 m/d.

Size-related bioconcentration kinetics of hydrophobic chemicals in fish

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sijm, D.T.H.M.; Linde, A. van der

1994-12-31

Uptake and elimination of hydrophobic chemicals by fish can be regarded as passive diffusive transport processes. Diffusion coefficients, lipid/water partitioning, diffusion pathlenghts, concentration gradients and surface exchange areas are key parameters describing this bioconcentration distribution process. In the present study two of these parameters were studied: the influence of lipid/water partitioning was studied by using hydrophobic chemicals of different hydrophobicity, and the surface exchange area by using different sizes of fish. By using one species of fish it was assumed that all other parameters were kept constant. Seven age classes of fish were exposed to a series of hydrophobic, formore » five days, which was followed by a deputation phase lasting up to 6 months. Bioconcentration parameters, such as uptake and elimination rate constants, and bioconcentration factors were determined. Uptake of the hydrophobic compounds was compared to that of oxygen. Uptake and elimination rates were compared to weight and estimated (gill) exchange areas. The role of weight and its implications for extrapolations of bioconcentration parameters to other species and sizes will be discussed.« less

Anomalous diffusion of water molecules at grain boundaries in ice Ih.

PubMed

Moreira, Pedro Augusto Franco Pinheiro; Veiga, Roberto Gomes de Aguiar; Ribeiro, Ingrid de Almeida; Freitas, Rodrigo; Helfferich, Julian; de Koning, Maurice

2018-05-23

Using ab initio and classical molecular dynamics simulations, we study pre-melting phenomena in pristine coincident-site-lattice grain boundaries (GBs) in proton-disordered hexagonal ice Ih at temperatures just below the melting point Tm. Concerning pre-melt-layer thicknesses, the results are consistent with the available experimental estimates for low-disorder impurity-free GBs. With regard to molecular mobility, the simulations provide a key new insight: the translational motion of the water molecules is found to be subdiffusive for time scales from ∼10 ns up to at least 0.1 μs. Moreover, the fact that the anomalous diffusion occurs even at temperatures just below Tm where the bulk supercooled liquid still diffuses normally suggests that it is related to the confinement of the GB pre-melt layers by the surrounding crystalline environment. Furthermore, we show that this behavior can be characterized by continuous-time random walk models in which the waiting-time distributions decay according to power-laws that are very similar to those describing dynamics in glass-forming systems.

Effects of High Hydrostatic Pressure on Water Absorption of Adzuki Beans

PubMed Central

Ueno, Shigeaki; Shigematsu, Toru; Karo, Mineko; Hayashi, Mayumi; Fujii, Tomoyuki

2015-01-01

The effect of high hydrostatic pressure (HHP) treatment on dried soybean, adzuki bean, and kintoki kidney bean, which are low-moisture-content cellular biological materials, was investigated from the viewpoint of water absorption. The samples were vacuum-packed with distilled water and pressurized at 200 MPa and 25 °C for 10 min. After the HHP treatment, time courses of the moisture contents of the samples were measured, and the dimensionless moisture contents were estimated. Water absorption in the case of soybean could be fitted well by a simple water diffusion model. High pressures were found to have negligible effects on water absorption into the cotyledon of soybean and kintoki kidney bean. A non-linear least square method based on the Weibull equation was applied for the adzuki beans, and the effective water diffusion coefficient was found to increase significantly from 8.6 × 10−13 to 6.7 × 10−10 m2/s after HHP treatment. Approximately 30% of the testa of the adzuki bean was damaged upon HHP treatment, which was comparable to the surface area of the testa in the partially peeled adzuki bean sample. Thus, HHP was confirmed to promote mass transfer to the cotyledon of legumes with a tight testa. PMID:28231195

Distribution, diffusive fluxes, and toxicity of heavy metals and PAHs in pore water profiles from the northern bays of Taihu Lake.

PubMed

Lei, Pei; Zhang, Hong; Shan, Baoqing; Zhang, Bozheng

2016-11-01

Pore water plays a more significant role than do sediments in pollutant cycling dynamics. Also, concentrations of pollutants in pore water provide important information about their bioavailability or eco-toxicity; however, very few studies have focused on this topic. In this study, four duplicate sediment cores from three typical northern bays as well as the central part of Taihu Lake were collected to investigate the distribution, diffusive fluxes, and toxicity of heavy metals and polycyclic aromatic hydrocarbons (PAHs) in pore water profiles, which will be good in understanding the mobility and toxicity of these toxic pollutants and achieving better environmental management. The diffusive fluxes of heavy metals across the sediment-water interface was estimated through Fick's First Law, and the toxicity of heavy metals and PAHs in pore water was assessed by applying a water quality index (interstitial water toxicity criteria unit, IWCTU) and a hazard index (HI), respectively. The average concentrations of Cr, Cu, Ni, Pb, and Zn in surface pore water were 18.8, 23.4, 12.0, 13.5, and 42.5 μg L -1 , respectively. Also, concentrations of the selected heavy metals in both overlying water and pore water from Taihu Lake were all lower than the standard values of the environmental quality standards for surface water. The concentrations as the pore water depth increased, and the highest detected concentrations of heavy metals were recorded between 3 and 5 cm below the sediment surface. The average diffusive fluxes of these metals were 27.3, 24.8, 7.03, 7.81, and -3.32 μg (m 2 day) -1 , respectively, indicating export from sediment into overlying water, with the exception of Zn. There was a potential risk of toxicity, mainly from Pb and Cu, indicating that heavy metals in pore water had slight to moderate impact on sediment-dwelling organisms by values of the IWCTU and the Nemeraw index. The total PAH concentrations in pore water were higher than those in overlying water, and such gradient implies a potential flux of PAHs from pore water to overlying water. The average HI value of PAHs in surface pore water showed no or low ecological risk. While there may be occasional risk due to the HI values in some sites being greater than 1, the dominant contributors were carcinogenic PAHs. Because of their potential biological impact, heavy metals and PAHs and their comprehensive toxic effects in pore water should be given priority attention to keep the safety of Taihu Lake.

Diffuse radiation increases global ecosystem-level water-use efficiency

NASA Astrophysics Data System (ADS)

Moffat, A. M.; Reichstein, M.; Cescatti, A.; Knohl, A.; Zaehle, S.

2012-12-01

Current environmental changes lead not only to rising atmospheric CO2 levels and air temperature but also to changes in air pollution and thus the light quality of the solar radiation reaching the land-surface. While rising CO2 levels are thought to enhance photosynthesis and closure of stomata, thus leading to relative water savings, the effect of diffuse radiation on transpiration by plants is less clear. It has been speculated that the stimulation of photosynthesis by increased levels of diffuse light may be counteracted by higher transpiration and consequently water depletion and drought stress. Ultimately, in water co-limited systems, the overall effect of diffuse radiation will depend on the sensitivity of canopy transpiration versus photosynthesis to diffuse light, i.e. whether water-use efficiency changes with relative levels of diffuse light. Our study shows that water-use efficiency increases significantly with higher fractions of diffuse light. It uses the ecosystem-atmosphere gas-exchange observations obtained with the eddy covariance method at 29 flux tower sites. In contrast to previous global studies, the analysis is based directly on measurements of diffuse radiation. Its effect on water-use efficiency was derived by analyzing the multivariate response of carbon and water fluxes to radiation and air humidity using a purely empirical approach based on artificial neural networks. We infer that per unit change of diffuse fraction the water-use efficiency increases up to 40% depending on diffuse fraction levels and ecosystem type. Hence, in regions with increasing diffuse radiation positive effects on primary production are expected even under conditions where water is co-limiting productivity.

Molecular dynamics simulation of diffusion and electrical conductivity in montmorillonite interlayers

DOE PAGES

Greathouse, Jeffery A.; Cygan, Randall T.; Fredrich, Joanne T.; ...

2016-01-20

In this study, the diffusion of water and ions in the interlayer region of smectite clay minerals represents a direct probe of the type and strength of clay–fluid interactions. Interlayer diffusion also represents an important link between molecular simulation and macroscopic experiments. Here we use molecular dynamics simulation to investigate trends in cation and water diffusion in montmorillonite interlayers, looking specifically at the effects of layer charge, interlayer cation and cation charge (sodium or calcium), water content, and temperature. For Na-montmorillonite, the largest increase in ion and water diffusion coefficients occurs between the one-layer and two-layer hydrates, corresponding to themore » transition from inner-sphere to outer-sphere surface complexes. Calculated activation energies for ion and water diffusion in Na-montmorillonite are similar to each other and to the water hydrogen bond energy, suggesting the breaking of water–water and water–clay hydrogen bonds as a likely mechanism for interlayer diffusion. A comparison of interlayer diffusion with that of bulk electrolyte solutions reveals a clear trend of decreasing diffusion coefficient with increasing electrolyte concentration, and in most cases the interlayer diffusion results are nearly coincident with the corresponding bulk solutions. Trends in electrical conductivities computed from the ion diffusion coefficients are also compared.« less

CO2 diffusion in champagne wines: a molecular dynamics study.

PubMed

Perret, Alexandre; Bonhommeau, David A; Liger-Belair, Gérard; Cours, Thibaud; Alijah, Alexander

2014-02-20

Although diffusion is considered as the main physical process responsible for the nucleation and growth of carbon dioxide bubbles in sparkling beverages, the role of each type of molecule in the diffusion process remains unclear. In the present study, we have used the TIP5P and SPC/E water models to perform force field molecular dynamics simulations of CO2 molecules in water and in a water/ethanol mixture respecting Champagne wine proportions. CO2 diffusion coefficients were computed by applying the generalized Fick's law for the determination of multicomponent diffusion coefficients, a law that simplifies to the standard Fick's law in the case of champagnes. The CO2 diffusion coefficients obtained in pure water and water/ethanol mixtures composed of TIP5P water molecules were always found to exceed the coefficients obtained in mixtures composed of SPC/E water molecules, a trend that was attributed to a larger propensity of SPC/E water molecules to form hydrogen bonds. Despite the fact that the SPC/E model is more accurate than the TIP5P model to compute water self-diffusion and CO2 diffusion in pure water, the diffusion coefficients of CO2 molecules in the water/ethanol mixture are in much better agreement with the experimental values of 1.4 - 1.5 × 10(-9) m(2)/s obtained for Champagne wines when the TIP5P model is employed. This difference was deemed to rely on the larger propensity of SPC/E water molecules to maintain the hydrogen-bonded network between water molecules and form new hydrogen bonds with ethanol, although statistical issues cannot be completely excluded. The remarkable agreement between the theoretical CO2 diffusion coefficients obtained within the TIP5P water/ethanol mixture and the experimental data specific to Champagne wines makes us infer that the diffusion coefficient in these emblematic hydroalcoholic sparkling beverages is expected to remain roughly constant whathever their proportions in sugars, glycerol, or peptides.

Effects of calcium leaching on diffusion properties of hardened and altered cement pastes

NASA Astrophysics Data System (ADS)

Kurumisawa, Kiyofumi; Haga, Kazuko; Hayashi, Daisuke; Owada, Hitoshi

2017-06-01

It is very important to predict alterations in the concrete used for fabricating disposal containers for radioactive waste. Therefore, it is necessary to understand the alteration of cementitious materials caused by calcium leaching when they are in contact with ground water in the long term. To evaluate the long-term transport characteristics of cementitious materials, the microstructural behavior of these materials should be considered. However, many predictive models of transport characteristics focus on the pore structure, while only few such models consider both, the spatial distribution of calcium silicate hydrate (C-S-H), portlandite, and the pore spaces. This study focused on the spatial distribution of these cement phases. The auto-correlation function of each phase of cementitious materials was calculated from two-dimensional backscattered electron imaging, and the three-dimensional spatial image of the cementitious material was produced using these auto-correlation functions. An attempt was made to estimate the diffusion coefficient of chloride from the three-dimensional spatial image. The estimated diffusion coefficient of the altered sample from the three-dimensional spatial image was found to be comparable to the measured value. This demonstrated that it is possible to predict the diffusion coefficient of the altered cement paste by using the proposed model.

Kinetic modeling of copper biosorption by immobilized biomass

DOE Office of Scientific and Technical Information (OSTI.GOV)

Veglio, F.; Beolchini, F.; Toro, L.

1998-03-01

Biosorption of heavy metals is one of the most promising technologies involved in the removal of toxic metals from industrial waste streams and natural waters. The kinetic modeling of copper biosorption by Arthrobacter sp. immobilized in a hydroxyethyl methacrylate-based matrix is reported in this work. The resin-biomass complex (RBC) has been used for copper biosorption in different conditions according to a factorial experiment. Factors investigated were cross-linker (trimethylolpropane trimethacrylate) concentration, biomass concentration in the solid, and particles` granulometry. A maximum copper specific uptake of abut 7 mg of Cu/g of biomass (dry weight) has been observed, in the case ofmore » a RBC with the following characteristics: 2% (w/w) cross-linker concentration, 8% (w/w) biomass concentration, and 425--750 {micro}m granulometry. The shrinking core model has been used for the fitting of experimental data. A good fit has been found in the case of controlling intraparticle diffusion in all experimental trials. The copper diffusion coefficient in RBC has been estimated from the slope of the regression lines. Values obtained for the diffusion coefficients do not differ from one another with respect to the estimated standard error. An average apparent copper diffusion coefficient of about 3 {times} 10{sup {minus}6} cm{sup 2}/s has been found.« less

The effect of solution nonideality on modeling transmembrane water transport and diffusion-limited intracellular ice formation during cryopreservation

NASA Astrophysics Data System (ADS)

Zhao, Gang; Takamatsu, Hiroshi; He, Xiaoming

2014-04-01

A new model was developed to predict transmembrane water transport and diffusion-limited ice formation in cells during freezing without the ideal-solution assumption that has been used in previous models. The model was applied to predict cell dehydration and intracellular ice formation (IIF) during cryopreservation of mouse oocytes and bovine carotid artery endothelial cells in aqueous sodium chloride (NaCl) solution with glycerol as the cryoprotectant or cryoprotective agent. A comparison of the predictions between the present model and the previously reported models indicated that the ideal-solution assumption results in under-prediction of the amount of intracellular ice at slow cooling rates (<50 K/min). In addition, the lower critical cooling rates for IIF that is lethal to cells predicted by the present model were much lower than those estimated with the ideal-solution assumption. This study represents the first investigation on how accounting for solution nonideality in modeling water transport across the cell membrane could affect the prediction of diffusion-limited ice formation in biological cells during freezing. Future studies are warranted to look at other assumptions alongside nonideality to further develop the model as a useful tool for optimizing the protocol of cell cryopreservation for practical applications.

Modeling uptake of hydrophobic organic contaminants into polyethylene passive samplers.

PubMed

Thompson, Jay M; Hsieh, Ching-Hong; Luthy, Richard G

2015-02-17

Single-phase passive samplers are gaining acceptance as a method to measure hydrophobic organic contaminant (HOC) concentration in water. Although the relationship between the HOC concentration in water and passive sampler is linear at equilibrium, mass transfer models are needed for nonequilibrium conditions. We report measurements of organochlorine pesticide diffusion and partition coefficients with respect to polyethylene (PE), and present a Fickian approach to modeling HOC uptake by PE in aqueous systems. The model is an analytic solution to Fick's second law applied through an aqueous diffusive boundary layer and a polyethylene layer. Comparisons of the model with existing methods indicate agreement at appropriate boundary conditions. Laboratory release experiments on the organochlorine pesticides DDT, DDE, DDD, and chlordane in well-mixed slurries support the model's applicability to aqueous systems. In general, the advantage of the model is its application in the cases of well-agitated systems, low values of polyethylene-water partioning coefficients, thick polyethylene relative to the boundary layer thickness, and/or short exposure times. Another significant advantage is the ability to estimate, or at least bound, the needed exposure time to reach a desired CPE without empirical model inputs. A further finding of this work is that polyethylene diffusivity does not vary by transport direction through the sampler thickness.

The effect of solution nonideality on modeling transmembrane water transport and diffusion-limited intracellular ice formation during cryopreservation.

PubMed

Zhao, Gang; Takamatsu, Hiroshi; He, Xiaoming

2014-04-14

A new model was developed to predict transmembrane water transport and diffusion-limited ice formation in cells during freezing without the ideal-solution assumption that has been used in previous models. The model was applied to predict cell dehydration and intracellular ice formation (IIF) during cryopreservation of mouse oocytes and bovine carotid artery endothelial cells in aqueous sodium chloride (NaCl) solution with glycerol as the cryoprotectant or cryoprotective agent. A comparison of the predictions between the present model and the previously reported models indicated that the ideal-solution assumption results in under-prediction of the amount of intracellular ice at slow cooling rates (<50 K/min). In addition, the lower critical cooling rates for IIF that is lethal to cells predicted by the present model were much lower than those estimated with the ideal-solution assumption. This study represents the first investigation on how accounting for solution nonideality in modeling water transport across the cell membrane could affect the prediction of diffusion-limited ice formation in biological cells during freezing. Future studies are warranted to look at other assumptions alongside nonideality to further develop the model as a useful tool for optimizing the protocol of cell cryopreservation for practical applications.

Structure and dynamics of water and lipid molecules in charged anionic DMPG lipid bilayer membranes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rønnest, A. K.; Peters, G. H.; Hansen, F. Y., E-mail: flemming@kemi.dtu.dk

2016-04-14

Molecular dynamics simulations have been used to investigate the influence of the valency of counter-ions on the structure of freestanding bilayer membranes of the anionic 1,2-dimyristoyl-sn-glycero-3-phosphoglycerol (DMPG) lipid at 310 K and 1 atm. At this temperature, the membrane is in the fluid phase with a monovalent counter-ion and in the gel phase with a divalent counter-ion. The diffusion constant of water as a function of its depth in the membrane has been determined from mean-square-displacement calculations. Also, calculated incoherent quasielastic neutron scattering functions have been compared to experimental results and used to determine an average diffusion constant for allmore » water molecules in the system. On extrapolating the diffusion constants inferred experimentally to a temperature of 310 K, reasonable agreement with the simulations is obtained. However, the experiments do not have the sensitivity to confirm the diffusion of a small component of water bound to the lipids as found in the simulations. In addition, the orientation of the dipole moment of the water molecules has been determined as a function of their depth in the membrane. Previous indirect estimates of the electrostatic potential within phospholipid membranes imply an enormous electric field of 10{sup 8}–10{sup 9} V m{sup −1}, which is likely to have great significance in controlling the conformation of translocating membrane proteins and in the transfer of ions and molecules across the membrane. We have calculated the membrane potential for DMPG bilayers and found ∼1 V (∼2 ⋅ 10{sup 8} V m{sup −1}) when in the fluid phase with a monovalent counter-ion and ∼1.4 V (∼2.8 ⋅ 10{sup 8} V m{sup −1}) when in the gel phase with a divalent counter-ion. The number of water molecules for a fully hydrated DMPG membrane has been estimated to be 9.7 molecules per lipid in the gel phase and 17.5 molecules in the fluid phase, considerably smaller than inferred experimentally for 1,2-dimyristoyl-sn-glycero-3-phosphorylcholine (DMPC) membranes but comparable to the number inferred for 1,2-dilauroyl-sn-glycero-3-phosphoethanolamine (DLPE) membranes. Some of the properties of the DMPG membrane are compared with those of the neutral zwitterionic DMPC bilayer membrane at 303 K and 1 atm, which is the same reduced temperature with respect to the gel-to-fluid transition temperature as 310 K is for the DMPG bilayer membrane.« less

Nonparametric estimates of drift and diffusion profiles via Fokker-Planck algebra.

PubMed

Lund, Steven P; Hubbard, Joseph B; Halter, Michael

2014-11-06

Diffusion processes superimposed upon deterministic motion play a key role in understanding and controlling the transport of matter, energy, momentum, and even information in physics, chemistry, material science, biology, and communications technology. Given functions defining these random and deterministic components, the Fokker-Planck (FP) equation is often used to model these diffusive systems. Many methods exist for estimating the drift and diffusion profiles from one or more identifiable diffusive trajectories; however, when many identical entities diffuse simultaneously, it may not be possible to identify individual trajectories. Here we present a method capable of simultaneously providing nonparametric estimates for both drift and diffusion profiles from evolving density profiles, requiring only the validity of Langevin/FP dynamics. This algebraic FP manipulation provides a flexible and robust framework for estimating stationary drift and diffusion coefficient profiles, is not based on fluctuation theory or solved diffusion equations, and may facilitate predictions for many experimental systems. We illustrate this approach on experimental data obtained from a model lipid bilayer system exhibiting free diffusion and electric field induced drift. The wide range over which this approach provides accurate estimates for drift and diffusion profiles is demonstrated through simulation.

Combine the soil water assessment tool (SWAT) with sediment geochemistry to evaluate diffuse heavy metal loadings at watershed scale.

PubMed

Jiao, Wei; Ouyang, Wei; Hao, Fanghua; Huang, Haobo; Shan, Yushu; Geng, Xiaojun

2014-09-15

Assessing the diffuse pollutant loadings at watershed scale has become increasingly important when formulating effective watershed water management strategies, but the process was seldom achieved for heavy metals. In this study, the overall temporal-spatial variability of particulate Pb, Cu, Cr and Ni losses within an agricultural watershed was quantitatively evaluated by combining SWAT with sediment geochemistry. Results showed that the watershed particulate heavy metal loadings displayed strong variability in the simulation period 1981-2010, with an obvious increasing trend in recent years. The simulated annual average loadings were 20.21 g/ha, 21.75 g/ha, 47.35 g/ha and 21.27 g/ha for Pb, Cu, Cr and Ni, respectively. By comparison, these annual average values generally matched the estimated particulate heavy metal loadings at field scale. With spatial interpolation of field loadings, it was found that the diffuse heavy metal pollution mainly came from the sub-basins dominated with cultivated lands, accounting for over 70% of total watershed loadings. The watershed distribution of particulate heavy metal losses was very similar to that of soil loss but contrary to that of heavy metal concentrations in soil, highlighting the important role of sediment yield in controlling the diffuse heavy metal loadings. Copyright © 2014 Elsevier B.V. All rights reserved.

Methane production and consumption monitored by stable H and C isotope ratios at a crude oil spill site, Bemidji, Minnesota

USGS Publications Warehouse

Revesz, Kinga; Coplen, Tyler B.; Baedecker, Mary J.; Glynn, Pierre D.

1995-01-01

Stable isotopic ratios of C and H in dissolved CH4 and C in dissolved inorganic C in the ground water of a crude-oil spill near Bemidji, Minnesota, support the concept of CH4production by acetate fermentation with a contemporaneous increase in HCO3−concentration. Methane concentrations in the saturated zone decrease from 20.6 mg L−1 to less than 0.001 mg L−1 along the investigated flow path. Dissolved N2 and Ar concentrations in the ground water below the oil plume are 25 times lower than background; this suggests that gas exsolution is removing dissolved CH4 (along with other dissolved gases) from the ground water. Oxidation of dissolved CH4 along the flow path seems to be minimal because no measurable change in isotopic composition of CH4 occurs with distance from the oil body. However, CH4 is partly oxidized to CO2 as it diffuses upward from the ground water through a 5- to 7-m thick unsaturated zone; theδ13C of the remaining CH4 increases, theδ13C of the CO2 decreases, and the partial pressure of CO2 increases.Calculations of C fluxes in the saturated and unsaturated zones originating from the degradation of the oil plume lead to a minimum estimated life expectancy of 110 years. This is a minimum estimate because the degradation of the oil body should slow down with time as its more volatile and reactive components are leached out and preferentially oxidized. The calculated life expectancy is an order of magnitude estimate because of the uncertainty in the average linear ground-water velocities and because of the factor of 2 uncertainty in the calculation of the effective CO2 diffusion coefficient.

A scaled-ionic-charge simulation model that reproduces enhanced and suppressed water diffusion in aqueous salt solutions.

PubMed

Kann, Z R; Skinner, J L

2014-09-14

Non-polarizable models for ions and water quantitatively and qualitatively misrepresent the salt concentration dependence of water diffusion in electrolyte solutions. In particular, experiment shows that the water diffusion coefficient increases in the presence of salts of low charge density (e.g., CsI), whereas the results of simulations with non-polarizable models show a decrease of the water diffusion coefficient in all alkali halide solutions. We present a simple charge-scaling method based on the ratio of the solvent dielectric constants from simulation and experiment. Using an ion model that was developed independently of a solvent, i.e., in the crystalline solid, this method improves the water diffusion trends across a range of water models. When used with a good-quality water model, e.g., TIP4P/2005 or E3B, this method recovers the qualitative behaviour of the water diffusion trends. The model and method used were also shown to give good results for other structural and dynamic properties including solution density, radial distribution functions, and ion diffusion coefficients.

Weighted linear least squares estimation of diffusion MRI parameters: strengths, limitations, and pitfalls.

PubMed

Veraart, Jelle; Sijbers, Jan; Sunaert, Stefan; Leemans, Alexander; Jeurissen, Ben

2013-11-01

Linear least squares estimators are widely used in diffusion MRI for the estimation of diffusion parameters. Although adding proper weights is necessary to increase the precision of these linear estimators, there is no consensus on how to practically define them. In this study, the impact of the commonly used weighting strategies on the accuracy and precision of linear diffusion parameter estimators is evaluated and compared with the nonlinear least squares estimation approach. Simulation and real data experiments were done to study the performance of the weighted linear least squares estimators with weights defined by (a) the squares of the respective noisy diffusion-weighted signals; and (b) the squares of the predicted signals, which are reconstructed from a previous estimate of the diffusion model parameters. The negative effect of weighting strategy (a) on the accuracy of the estimator was surprisingly high. Multi-step weighting strategies yield better performance and, in some cases, even outperformed the nonlinear least squares estimator. If proper weighting strategies are applied, the weighted linear least squares approach shows high performance characteristics in terms of accuracy/precision and may even be preferred over nonlinear estimation methods. Copyright © 2013 Elsevier Inc. All rights reserved.

Assessing the cost of groundwater pollution: the case of diffuse agricultural pollution in the Upper Rhine valley aquifer.

PubMed

Rinaudo, J-D; Arnal, C; Blanchin, R; Elsass, P; Meilhac, A; Loubier, S

2005-01-01

This paper presents an assessment of the costs of diffuse groundwater pollution by nitrates and pesticides for the industrial and the drinking water sectors in the Upper Rhine valley, France. Pollution costs which occurred between 1988 and 2002 are described and assessed using the avoidance cost method. Geo-statistical methods (kriging) are then used to construct three scenarios of nitrate concentration evolution. The economic consequences of each scenario are then assessed. The estimates obtained are compared with the results of a contingent valuation study carried out in the same study area ten years earlier.

A pore-pressure diffusion model for estimating landslide-inducing rainfall

USGS Publications Warehouse

Reid, M.E.

1994-01-01

Many types of landslide movement are induced by large rainstorms, and empirical rainfall intensity/duration thresholds for initiating movement have been determined for various parts of the world. In this paper, I present a simple pressure diffusion model that provides a physically based hydrologic link between rainfall intensity/duration at the ground surface and destabilizing pore-water pressures at depth. The model approximates rainfall infiltration as a sinusoidally varying flux over time and uses physical parameters that can be determined independently. Using a comprehensive data set from an intensively monitored landslide, I demonstrate that the model is capable of distinguishing movement-inducing rainstorms. -Author

Analysis of an unconfined aquifer subject to asynchronous dual-tide propagation

USGS Publications Warehouse

Rotzoll, K.; El-Kadi, A. I.; Gingerich, S.B.

2008-01-01

Most published solutions for aquifer responses to ocean tides focus on the one-sided attenuation of the signal as it propagates inland. However, island aquifers experience periodic forcing from the entire coast, which can lead to integrated effects of different tidal signals, especially on narrow high-permeability islands. In general, studies disregard a potential time lag as the tidal wave sweeps around the island. We present a one-dimensional analytical solution to the ground water flow equation subject to asynchronous and asymmetric oscillating head conditions on opposite boundaries and test it on data from an unconfined volcanic aquifer in Maui. The solution considers sediment-damping effects at the coastline. The response of Maui Aquifers indicate that water table elevations near the center of the aquifer are influenced by a combination of tides from opposite coasts. A better match between the observed ground water head and the theoretical response can be obtained with the proposed dual-tide solution than with single-sided solutions. Hydraulic diffusivity was estimated to be 2.3 ?? 107 m 2/d. This translates into a hydraulic conductivity of 500 m/d, assuming a specific yield of 0.04 and an aquifer thickness of 1.8 km. A numerical experiment confirmed the hydraulic diffusivity value and showed that the y-intercepts of the modal attenuation and phase differences estimated by regression can approximate damping factors caused by low-permeability units at the boundary.

A novel inverse numerical modeling method for the estimation of water and salt mass transfer coefficients during ultrasonic assisted-osmotic dehydration of cucumber cubes.

PubMed

Kiani, Hosein; Karimi, Farzaneh; Labbafi, Mohsen; Fathi, Morteza

2018-06-01

The objective of this paper was to study the moisture and salt diffusivity during ultrasonic assisted-osmotic dehydration of cucumbers. Experimental measurements of moisture and salt concentration versus time were carried out and an inverse numerical method was performed by coupling a CFD package (OpenFOAM) with a parameter estimation software (DAKOTA) to determine mass transfer coefficients. A good agreement between experimental and numerical results was observed. Mass transfer coefficients were from 3.5 × 10 -9 to 7 × 10 -9  m/s for water and from 4.8 × 10 -9  m/s to 7.4 × 10 -9  m/s for salt at different conditions (diffusion coefficients of around 3.5 × 10 -12 -11.5 × 10 -12  m 2 /s for water and 5 × 10 -12  m/s-12 × 10 -12  m 2 /s for salt). Ultrasound irradiation could increase the mass transfer coefficient. The values obtained by this method were closer to the actual data. The inverse simulation method can be an accurate technique to study the mass transfer phenomena during food processing. Copyright © 2018 Elsevier B.V. All rights reserved.

Effect of intravascular contrast agent on diffusion and perfusion fraction coefficients in the peripheral zone and prostate cancer.

PubMed

Mazaheri, Yousef; Hötker, Andreas M; Shukla-Dave, Amita; Akin, Oguz; Hricak, Hedvig

2018-09-01

To determine whether water diffusion and the perfusion fraction coefficients in prostate peripheral zone (PZ) and prostate cancer (PCa) are affected by intravenous contrast injection and explore the potential mechanism behind previously reported differences between pre- and post-contrast ADC values. Our institutional review board waived informed consent for this HIPAA-compliant, retrospective study, which included 32 patients (median age, 63 years; range, 47-77 years) with biopsy-proven, untreated PCa who underwent 3-Tesla MRI, including DW-MRI at b-values 0, 400, 700, 1000 s/mm 2 before and after gadolinium injection. For regions of interest (ROIs) in presumed benign PZ and PZ PCa, apparent diffusion coefficient (ADC), perfusion fraction f, and diffusion coefficient D were estimated voxel-wise, and signal-to-noise ratio (SNR) and contrast-to-noise (CNR) were estimated. Pre- and post-contrast measurements were compared by Wilcoxon signed-rank test; P < 0.05 was considered significant. In PZ, f (P = 0.002) was significantly higher on post-contrast imaging than on pre-contrast imaging, but ADC and D values did not change significantly (P = 0.562 and 0.295 respectively). In PCa, all parameters differed significantly between post-contrast and pre-contrast imaging (P < 0.0001 for ADC, P = 0.0084 for D, and P = 0.029 for f). On post-contrast imaging, SNR was not significantly different in PZ (P = 0.260) but was significantly lower in PCa (P < 0.0001); CNR did not change significantly (P = 0.059). After contrast injection, ADC and D declined significantly in PCa only, while f increased significantly in both PCa and PZ. Pre- and post-contrast diffusion parameters cannot be used interchangeably for diagnostic purposes that require quantitative diffusion estimates. Copyright © 2018. Published by Elsevier Inc.

Diffusion coefficients in organic-water solutions and comparison with Stokes-Einstein predictions

NASA Astrophysics Data System (ADS)

Evoy, E.; Kamal, S.; Bertram, A. K.

2017-12-01

Diffusion coefficients of organic species in particles containing secondary organic material (SOM) are necessary for predicting the growth and reactivity of these particles in the atmosphere. Previously, the Stokes-Einstein equation combined with viscosity measurements have been used to predict these diffusion coefficients. However, the accuracy of the Stokes-Einstein equation for predicting diffusion coefficients in SOM-water particles has not been quantified. To test the Stokes-Einstein equation, diffusion coefficients of fluorescent organic probe molecules were measured in citric acid-water and sorbitol-water solutions. These solutions were used as proxies for SOM-water particles found in the atmosphere. Measurements were performed as a function of water activity, ranging from 0.26-0.86, and as a function of viscosity ranging from 10-3 to 103 Pa s. Diffusion coefficients were measured using fluorescence recovery after photobleaching. The measured diffusion coefficients were compared with predictions made using the Stokes-Einstein equation combined with literature viscosity data. Within the uncertainties of the measurements, the measured diffusion coefficients agreed with the predicted diffusion coefficients, in all cases.

Obtaining the porewater composition of a clay rock by modeling the in- and out-diffusion of anions and cations from an in-situ experiment.

PubMed

Appelo, C A J; Vinsot, A; Mettler, S; Wechner, S

2008-10-23

A borehole in the Callovo-Oxfordian clay rock in ANDRA's underground research facility was sampled during 1 year and chemically analyzed. Diffusion between porewater and the borehole solution resulted in concentration changes which were modeled with PHREEQC's multicomponent diffusion module. In the model, the clay rock's pore space is divided in free porewater (electrically neutral) and diffuse double layer water (devoid of anions). Diffusion is calculated separately for the two domains, and individually for all the solute species while a zero-charge flux is maintained. We explain how the finite difference formulas for radial diffusion can be translated into mixing factors for solutions. Operator splitting is used to calculate advective flow and chemical reactions such as ion exchange and calcite dissolution and precipitation. The ion exchange reaction is formulated in the form of surface complexation, which allows distributing charge over the fixed sites and the diffuse double layer. The charge distribution affects pH when calcite dissolves, and modeling of the experimental data shows that about 7% of the cation exchange capacity resides in the diffuse double layer. The model calculates the observed concentration changes very well and provides an estimate of the pristine porewater composition in the clay rock.

ANALYSIS OF THE MOMENTS METHOD EXPERIMENT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kloster, R.L.

1959-09-01

Monte Cario calculations show the effects of a plane water-air boundary on both fast neutron and gamma dose rates. Multigroup diffusion theory calculation for a reactor source shows the effects of a plane water-air boundary on thermal neutron dose rate. The results of Monte Cario and multigroup calculations are compared with experimental values. The predicted boundary effect for fast neutrons of 7.3% agrees within 16% with the measured effect of 6.3%. The gamma detector did not measure a boundary effect because it lacked sensitivity at low energies. However, the effect predicted for gamma rays of 5 to 10% is asmore » large as that for neutrons. An estimate of the boundary effect for thermal neutrons from a PoBe source is obtained from the results of muitigroup diffusion theory calcuiations for a reactor source. The calculated boundary effect agrees within 13% with the measured values. (auth)« less

The diffusion of water in haploanesite

NASA Astrophysics Data System (ADS)

Ni, H.; Zhang, Y.

2008-12-01

Diffusive transport of water in silicate melts is a key process in magma dynamics and volcanic eruptions, including bubble growth. Previous studies demonstrate that in additional to temperature, water content and pressure, melt composition also plays an important role in determining water diffusivity. We carried out high temperature (1311-1512°C) diffusion-couple experiments and intermediate temperature (470- 600°C) dehydration experiments to investigate H2O diffusion in a melt of haploandesitic composition. The diffusion couple is composed of an anhydrous (with <0.1 wt.% H2O) and a hydrous (with 2 wt.% H2O) haploandesitic glass. A platinum capsule is used to contain the couple and then it is welded shut. Diffusion runs are carried out in a 12.7-mm piston-cylinder apparatus at 1 GPa and superliquidus temperatures of 1584-1785 K. Infrared microscopy is applied on quenched glass to measure the profile of total H2O concentration (H2Ot). The profile shape is best fit by an error function, indicating an H2O diffusivity virtually independent of H2O concentration, consistent with the results of Behrens et al. (2004) on an Fe-bearing andesite. Dehydration experiments are performed at 743-873 K in a rapid-quench cold-seal vessel, with a heated hydrous glass losing water to 0.1 GPa Ar atmosphere. Measured diffusion profiles, however, show that water diffusivity is dependent on water content. Experimental data can be explained by H2Om being the dominating diffusant or a total H2O diffusivity proportional to total H2O content. The distinction between the high-temperature experiments where H2Ot diffusivity is apparently independent of H2Ot content, and the intermediate-temperature experiments where H2Ot diffusivity depends on H2Ot can be rationalized if OH diffusion has a higher activation energy than molecular H2O diffusion, and their comparable diffusivities at high T gradually diverge as temperature is lowered. At below 1 wt.% H2O, water diffusivity increases from rhyolite to dacite to andesite at >1300°C, and this sequence is reversed at <600°C.

Paloma-radon: Atmospheric radon-222 as a geochemical probe for water in the Martian subsoil.

NASA Astrophysics Data System (ADS)

Sabroux, J.-C.; Michielsen, N.; Voisin, V.; Ferry, C.; Richon, P.; Pineau, J.-F.; Le Roulley, J.-C.; Chassefière, E.

2003-04-01

Radon exhalation from a porous soil is known to depend strongly on the soil moisture content: a minute amount of water, or water ice, in the pore space increases dramatically the possibility for radon to migrate far from its parent mineral. We propose to take advantage of this characteristic by using atmospheric radon-222 as a geochemical probe for water in the Martian soil, at least one order of magnitude deeper than the current Mars Odyssey neutron data. Strong thermal inversions during the Martian night will accumulate radon in the lowest atmospheric boundary layer, up to measurable levels despite the comparatively high environmental (cosmic and solar) background radiation and the assumed low uranium content of the upper crust of the planet. Preliminary studies and development of an instrument for the measurement of the Martian atmospheric alpha radioactivity is part of the CNES-supported PALOMA experiment. Two test benches have been implemented, one of them allowing differential measurements of the diffusion of radon in the Martian soil simulant NASA JSC Mars-1, under relevant temperatures and pressures. The other, a 1 m^3 radon-dedicated test bench, aims to characterize the instrument that will measure radon in the Mars environment (7 mb CO_2). Tests on several nuclear radiation detectors show that semiconductor alpha-particle detectors (PIPS) are the best option (already on board the Mars Pathfinder Rover and other platforms). In addition, the detection volume is left open in order to capitalize upon the long (ca. 4 m) alpha track at this low pressure. A stationary diffusion model was developed in order to assess the radon flux at the Mars soil surface. Diffusion of gas in Martian soil is governed by Knudsen diffusion. The radon Knudsen diffusion coefficient was estimated, depending on the soil moisture and relevant structural properties, leading to a radon diffusion length of the order of 20 m. The landed platform PALOMA-Radon instrument will consist of a set of alpha detectors connected to an electronic spectrometer, a system of collimators and an alpha source used for test and calibration purposes.

Influence of Diffused Sourcers of Water Pollution In The Basin of Volga River

NASA Astrophysics Data System (ADS)

Vasilchenco, O.

The intensive development of industry and agriculture, great growth of cities in the last decades result in an increase of the nature water consumption and deterioration. Different anthropogenic load change characteristics of water objects regime and de- pletion and qualitative degradation of water resources. Sources of pollution are divided on two classes: controlled and uncontrolled. The first includes industrial and domestic wastewater disposal. Their discharge and concentration of pollutants are quite stable. These sources of pollution are identified as "point". Surface run-off from of cities, industrial platforms, agricultural object, navigation, recreation are not controlled have dispersed nature and are identification as diffuse. Pollution from such sources is es- timates by computation. Quantitative assumption of pollution amounts reaches water objects is complicated and independent problem. The significant amount of full-scale observations and information processes of concerning dissolved and fluidized frag- ments movement are required. According to available guidelines the part of the pollu- tant entering water objects, is about 1-10For estimation of pollution mass and transport are mathematical modeling. Preliminary calculations of contaminants transport for different territories under an- thropogenic impact of river-Volga basin were made either for point sources of pol- lution or for non-point. Received data made it possible to analyze the correlation of contaminant volumes, coming from different sources pollution.

A Bayesian Framework for Coupled Estimation of Key Unknown Parameters of Land Water and Energy Balance Equations

NASA Astrophysics Data System (ADS)

Farhadi, L.; Abdolghafoorian, A.

2015-12-01

The land surface is a key component of climate system. It controls the partitioning of available energy at the surface between sensible and latent heat, and partitioning of available water between evaporation and runoff. Water and energy cycle are intrinsically coupled through evaporation, which represents a heat exchange as latent heat flux. Accurate estimation of fluxes of heat and moisture are of significant importance in many fields such as hydrology, climatology and meteorology. In this study we develop and apply a Bayesian framework for estimating the key unknown parameters of terrestrial water and energy balance equations (i.e. moisture and heat diffusion) and their uncertainty in land surface models. These equations are coupled through flux of evaporation. The estimation system is based on the adjoint method for solving a least-squares optimization problem. The cost function consists of aggregated errors on state (i.e. moisture and temperature) with respect to observation and parameters estimation with respect to prior values over the entire assimilation period. This cost function is minimized with respect to parameters to identify models of sensible heat, latent heat/evaporation and drainage and runoff. Inverse of Hessian of the cost function is an approximation of the posterior uncertainty of parameter estimates. Uncertainty of estimated fluxes is estimated by propagating the uncertainty for linear and nonlinear function of key parameters through the method of First Order Second Moment (FOSM). Uncertainty analysis is used in this method to guide the formulation of a well-posed estimation problem. Accuracy of the method is assessed at point scale using surface energy and water fluxes generated by the Simultaneous Heat and Water (SHAW) model at the selected AmeriFlux stations. This method can be applied to diverse climates and land surface conditions with different spatial scales, using remotely sensed measurements of surface moisture and temperature states

Magnetic orientation of nontronite clay in aqueous dispersions and its effect on water diffusion.

PubMed

Abrahamsson, Christoffer; Nordstierna, Lars; Nordin, Matias; Dvinskikh, Sergey V; Nydén, Magnus

2015-01-01

The diffusion rate of water in dilute clay dispersions depends on particle concentration, size, shape, aggregation and water-particle interactions. As nontronite clay particles magnetically align parallel to the magnetic field, directional self-diffusion anisotropy can be created within such dispersion. Here we study water diffusion in exfoliated nontronite clay dispersions by diffusion NMR and time-dependant 1H-NMR-imaging profiles. The dispersion clay concentration was varied between 0.3 and 0.7 vol%. After magnetic alignment of the clay particles in these dispersions a maximum difference of 20% was measured between the parallel and perpendicular self-diffusion coefficients in the dispersion with 0.7 vol% clay. A method was developed to measure water diffusion within the dispersion in the absence of a magnetic field (random clay orientation) as this is not possible with standard diffusion NMR. However, no significant difference in self-diffusion coefficient between random and aligned dispersions could be observed. Copyright © 2014 Elsevier Inc. All rights reserved.

Quantitative evaluation of water quality in the coastal zone by remote sensing

NASA Technical Reports Server (NTRS)

James, W. P.

1971-01-01

Remote sensing as a tool in a waste management program is discussed. By monitoring both the pollution sources and the environmental quality, the interaction between the components of the exturaine system was observed. The need for in situ sampling is reduced with the development of improved calibrated, multichannel sensors. Remote sensing is used for: (1) pollution source determination, (2) mapping the influence zone of the waste source on water quality parameters, and (3) estimating the magnitude of the water quality parameters. Diffusion coefficients and circulation patterns can also be determined by remote sensing, along with subtle changes in vegetative patterns and density.

Estimation of Nutrients Flux of Water-sediment Interface in the Chukchi Sea, the Western Arctic Ocean

NASA Astrophysics Data System (ADS)

Zhang, H.

2016-02-01

Nutrients regeneration in pore water is one of the important ways to supply nutrients of upper water column in the shelf. The pore water in sediment of the central Chukchi Sea continental shelf, showed a typical benthic distribution of nutrients at water-sediment interface, in where physical and bioturbation was weak. The nutrient samples in multi-tubular short column sediment and water column were obtained from the Forth Chinese National Arctic Research Expedition, to measure the nutrient concentrations of pore water, overlying water and water column. The results show that, the typical distribution can be separated into three layers. The first layer is the exponential increasing layer (I), in which the concentrations of nutrients increased rapidly with depth. Then was the steady layer (II), the sediment demineralization was equal to the nutrient transference and nutrients' concentrations were substantially constant at this stage. The third layer was a slowly descending layer (III), in which NO3- and PO43- were reduced by bacteria and lost oxygen ions due to organic materials degradation depleting oxygen. By a two-layer mode and the Fick's first law of diffusion, diffusive fluxes of silicate, phosphate and nitrate in R06 station of the Chukchi Sea shelf can be calculated, and the fluxes were 1.660 mmol/(m2 · d), 0.008 mmol/(m2 · d) and 0.117 mmol/(m2 · d), respectively. The diffusive fluxes of silicate for CC1, R06, C07 and S23 stations were 3.101 mmol/(m2 · d), 1.660 mmol/(m2 · d), 1.307 mmol/(m2 · d) and mmol/(m2 · d), respectively, which show obvious distribution characteristics with latitude. Distribution of N * in the pore water suggested that a strong denitrification process in sedimentary environment of the Chukchi Sea shelf, which is an important sink for nitrate.

Methane flux from the central Amazonian floodplain

NASA Technical Reports Server (NTRS)

Bartlett, Karen B.; Crill, Patrick M.; Sebacher, Daniel I.; Harriss, Robert C.; Wilson, John O.

1988-01-01

A total of 186 methane measurements from the three primary Amazon floodplain environments of open water lakes, flood forests, and floating grass mats were made over the period 18 July through 2 September 1985. These data indicate that emissions were lowest over open water lakes. Flux from flooded forests and grass mats was significantly higher. At least three transport processes contribute to tropospheric emissions: ebullition from sediments, diffusion along the concentration gradient from sediment to overlaying water to air, and transport through the roots and stems of aquatic plants. Measurements indicate that the first two of these processes are most significant. It was estimated that on the average bubbling makes up 49 percent of the flux from open water, 54 percent of that from flooded forests, and 64 percent of that from floating mats. If the measurements were applied to the entire Amazonian floodplain, it is calculated that the region could supply up to 12 percent of the estimated global natural sources of methane.

Investigation of Processes Controlling Elution of Solutes from Nonaqueous Phase Liquid (NAPL) Pools into Groundwater

NASA Astrophysics Data System (ADS)

Seyedabbasi, M.; Pirestani, K.; Holland, S. B.; Imhoff, P. T.

2005-12-01

Two major processes influencing the elution of solutes from porous media contaminated with nonaqueous phase liquids (NAPLs) are external mass transfer between the NAPL and groundwater and internal diffusion through NAPL ganglia and pools. There is a relatively large body of literature on the dissolution of single-species NAPLs. Less is known about the rates of elution of compounds dissolving from multicomponent NAPLs. We examined the mass transfer of one solute, 2,3-dimethyl-2-butanol (DMB) - a partitioning tracer, between groundwater and a dense NAPL - trichloroethylene (TCE). Diffusion cell experiments were used to measure the molecular diffusion coefficient of DMB in pure TCE and in porous media contaminated with a TCE pool. Measured diffusion coefficients were compared with empirical correlations (pure TCE) and a parallel resistance model (TCE pool). Based on the results from these analyses, a dimensionless Biot number was derived to express the ratio of the external rate of mass transfer from a NAPL pool to the internal rate of diffusion within the pool, which varies with NAPL saturation and NAPL-water partition coefficient. Biot numbers were then estimated for several laboratory scale experiments involving DMB transport between NAPL pools and groundwater. The estimated Biot numbers were in good agreement with experimental results. The expression for the Biot number developed here may be used to assess the processes controlling the elution of solutes from NAPL pools, which has implications on long-term predictions of solute dissolution from NAPLs in the field.

Estimation of life times and diffusion distances of radicals involved in x- ray-induced DNA strand breaks of killing of mammalian cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Roots, R; Okada, S

1975-11-01

We have used a mammalian tissue culture system to calculate the life times and diffusion distances in DNA scissions as well as cell killing for the three main products of water radiolysis: OH, H, and e$sup -$/sub aq/. Using various alcohols as radical scavengers, the average life time for OH in DNA single-strand breaks was calculated to be about 4 x 10$sup -9$ sec. Using the same data and published rate constants, the apparent life time of H atoms was calculated to vary from about 2 x 10$sup -7$ to 4 x 10$sup -6$ sec and, similarly, the calculated lifemore » time of the hydrated electron was found to vary more than was the case for OH. From these life times, the radical diffusion distances were estimated to be approximately 60 A for OH, which is reasonable, but the values for both H and e$sup -$/sub aq/ were unrealistically large, i.e., 880 to 4040 A for H and 9590 to 19,810 A for e$sup -$/sub aq/. In cell killing, the OH radical life time was estimated to be about 8.7 x 10$sup -9$ sec which gives an average diffusion distance for this radical of about 93 A. Our data support the idea that OH is the radical species primarily responsible for the indirect effect in radiation injury measured as DNA single-strand breaks or cell killing, and that H and e$sup -$/sub aq/ are not significantly involved. (auth)« less

Retardation of mobile radionuclides in granitic rock fractures by matrix diffusion

NASA Astrophysics Data System (ADS)

Hölttä, P.; Poteri, A.; Siitari-Kauppi, M.; Huittinen, N.

Transport of iodide and sodium has been studied by means of block fracture and core column experiments to evaluate the simplified radionuclide transport concept. The objectives were to examine the processes causing retention in solute transport, especially matrix diffusion, and to estimate their importance during transport in different scales and flow conditions. Block experiments were performed using a Kuru Grey granite block having a horizontally planar natural fracture. Core columns were constructed from cores drilled orthogonal to the fracture of the granite block. Several tracer tests were performed using uranine, 131I and 22Na as tracers at water flow rates 0.7-50 μL min -1. Transport of tracers was modelled by applying the advection-dispersion model based on the generalized Taylor dispersion added with matrix diffusion. Scoping calculations were combined with experiments to test the model concepts. Two different experimental configurations could be modelled applying consistent transport processes and parameters. The processes, advection-dispersion and matrix diffusion, were conceptualized with sufficient accuracy to replicate the experimental results. The effects of matrix diffusion were demonstrated on the slightly sorbing sodium and mobile iodine breakthrough curves.

A prospective microstructure imaging study in mixed-martial artists using geometric measures and diffusion tensor imaging: methods and findings

PubMed Central

Mayer, Andrew R.; Ling, Josef M.; Dodd, Andrew B.; Meier, Timothy B.; Hanlon, Faith M.; Klimaj, Stefan D.

2018-01-01

Although diffusion magnetic resonance imaging (dMRI) has been widely used to characterize the effects of repetitive mild traumatic brain injury (rmTBI), to date no studies have investigated how novel geometric models of microstructure relate to more typical diffusion tensor imaging (DTI) sequences. Moreover, few studies have evaluated the sensitivity of different registration pipelines (non-linear, linear and tract-based spatial statistics) for detecting dMRI abnormalities in clinical populations. Results from single-subject analyses in healthy controls (HC) indicated a strong negative relationship between fractional anisotropy (FA) and orientation dispersion index (ODI) in both white and gray matter. Equally important, only moderate relationships existed between all other estimates of free/intracellular water volume fractions and more traditional DTI metrics (FA, mean, axial and radial diffusivity). These findings suggest that geometric measures provide differential information about the cellular microstructure relative to traditional DTI measures. Results also suggest greater sensitivity for non-linear registration pipelines that maximize the anatomical information available in T1-weighted images. Clinically, rmTBI resulted in a pattern of decreased FA and increased ODI, largely overlapping in space, in conjunction with increased intracellular and free water fractions, highlighting the potential role of edema following repeated head trauma. In summary, current results suggest that geometric models of diffusion can provide relatively unique information regarding potential mechanisms of pathology that contribute to long-term neurological damage. PMID:27071950

A prospective microstructure imaging study in mixed-martial artists using geometric measures and diffusion tensor imaging: methods and findings.

PubMed

Mayer, Andrew R; Ling, Josef M; Dodd, Andrew B; Meier, Timothy B; Hanlon, Faith M; Klimaj, Stefan D

2017-06-01

Although diffusion magnetic resonance imaging (dMRI) has been widely used to characterize the effects of repetitive mild traumatic brain injury (rmTBI), to date no studies have investigated how novel geometric models of microstructure relate to more typical diffusion tensor imaging (DTI) sequences. Moreover, few studies have evaluated the sensitivity of different registration pipelines (non-linear, linear and tract-based spatial statistics) for detecting dMRI abnormalities in clinical populations. Results from single-subject analyses in healthy controls (HC) indicated a strong negative relationship between fractional anisotropy (FA) and orientation dispersion index (ODI) in both white and gray matter. Equally important, only moderate relationships existed between all other estimates of free/intracellular water volume fractions and more traditional DTI metrics (FA, mean, axial and radial diffusivity). These findings suggest that geometric measures provide differential information about the cellular microstructure relative to traditional DTI measures. Results also suggest greater sensitivity for non-linear registration pipelines that maximize the anatomical information available in T 1 -weighted images. Clinically, rmTBI resulted in a pattern of decreased FA and increased ODI, largely overlapping in space, in conjunction with increased intracellular and free water fractions, highlighting the potential role of edema following repeated head trauma. In summary, current results suggest that geometric models of diffusion can provide relatively unique information regarding potential mechanisms of pathology that contribute to long-term neurological damage.

Negligible fractionation of Kr and Xe isotopes by molecular diffusion in water

NASA Astrophysics Data System (ADS)

Tyroller, Lina; Brennwald, Matthias S.; Busemann, Henner; Maden, Colin; Baur, Heinrich; Kipfer, Rolf

2018-06-01

Molecular diffusion is a key transport process for noble gases in water. Such diffusive transport is often thought to cause a mass-dependent fractionation of noble gas isotopes that is inversely proportional to the square root of the ratio of their atomic mass, referred to as the square root relation. Previous studies, challenged the commonly held assumption that the square root relation adequately describes the behaviour of noble gas isotopes diffusing through water. However, the effect of diffusion on noble gas isotopes has only been determined experimentally for He, Ne and Ar to date, whereas the extent of fractionation of Kr and Xe has not been measured. In the present study the fractionation of Kr and Xe isotopes diffusing through water immobilised by adding agar was quantified through measuring the respective isotope ratio after diffusing through the immobilised water. No fractionation of Kr and Xe isotopes was observed, even using high-precision noble gas analytics. These results complement our current understanding on isotopic fractionation of noble gases diffusing through water. Therefore this complete data set builds a robust basis to describe molecular diffusion of noble gases in water in a physical sound manner which is fundamental to assess the physical aspects of gas dynamics in aquatic systems.

Vapour-Phase Processes Control Liquid-Phase Isotope Profiles in Unsaturated Sphagnum Moss

NASA Astrophysics Data System (ADS)

Edwards, T. W.; Yi, Y.; Price, J. S.; Whittington, P. N.

2009-05-01

Seminal work in the early 1980s clearly established the basis for predicting patterns of heavy-isotope enrichment of pore waters in soils undergoing evaporation. A key feature of the process under steady-state conditions is the development of stable, convex-upward profiles whose shape is controlled by the balance between downward-diffusing heavy isotopologues concentrated by evaporative enrichment at the surface and the upward capillary flow of bulk water that maintains the evaporative flux. We conducted an analogous experiment to probe evaporation processes within 20-cm columns of unsaturated, living and dead (but undecomposed) Sphagnum moss evaporating under controlled conditions, while maintaining a constant water table. The experiment provided striking evidence of the importance of vapour-liquid mass and isotope exchange in the air-filled pores of the Sphagnum columns, as evidenced by the rapid development of hydrologic and isotopic steady-state within hours, rather than days, i.e., an order of magnitude faster than possible by liquid-phase processes alone. This is consistent with the notion that vapour-phase processes effectively "short-circuit" mass and isotope fluxes within the Sphagnum columns, as proposed also in recent characterizations of water dynamics in transpiring leaves. Additionally, advection-diffusion modelling of our results supports independent estimates of the effective liquid-phase diffusivities of the respective heavy water isotopologues, 2.380 x 10-5 cm2 s-1 for 1H1H18O and 2.415 x 10-5 cm2 s-1 for 1H2H16O, which are in notably good agreement with the "default" values that are typically assumed in soil and plant water studies.

Water-polysaccharide interactions in the primary cell wall of Arabidopsis thaliana from polarization transfer solid-state NMR.

PubMed

White, Paul B; Wang, Tuo; Park, Yong Bum; Cosgrove, Daniel J; Hong, Mei

2014-07-23

Polysaccharide-rich plant cell walls are hydrated under functional conditions, but the molecular interactions between water and polysaccharides in the wall have not been investigated. In this work, we employ polarization transfer solid-state NMR techniques to study the hydration of primary-wall polysaccharides of the model plant, Arabidopsis thaliana. By transferring water (1)H polarization to polysaccharides through distance- and mobility-dependent (1)H-(1)H dipolar couplings and detecting it through polysaccharide (13)C signals, we obtain information about water proximity to cellulose, hemicellulose, and pectins as well as water mobility. Both intact and partially extracted cell wall samples are studied. Our results show that water-pectin polarization transfer is much faster than water-cellulose polarization transfer in all samples, but the extent of extraction has a profound impact on the water-polysaccharide spin diffusion. Removal of calcium ions and the consequent extraction of homogalacturonan (HG) significantly slowed down spin diffusion, while further extraction of matrix polysaccharides restored the spin diffusion rate. These trends are observed in cell walls with similar water content, thus they reflect inherent differences in the mobility and spatial distribution of water. Combined with quantitative analysis of the polysaccharide contents, our results indicate that calcium ions and HG gelation increase the amount of bound water, which facilitates spin diffusion, while calcium removal disrupts the gel and gives rise to highly dynamic water, which slows down spin diffusion. The recovery of spin diffusion rates after more extensive extraction is attributed to increased water-exposed surface areas of the polysaccharides. Water-pectin spin diffusion precedes water-cellulose spin diffusion, lending support to the single-network model of plant primary walls in which a substantial fraction of the cellulose surface is surrounded by pectins.

Diffusion of aqueous solutions of ionic, zwitterionic, and polar solutes

NASA Astrophysics Data System (ADS)

Teng, Xiaojing; Huang, Qi; Dharmawardhana, Chamila Chathuranga; Ichiye, Toshiko

2018-06-01

The properties of aqueous solutions of ionic, zwitterionic, and polar solutes are of interest to many fields. For instance, one of the many anomalous properties of aqueous solutions is the behavior of water diffusion in different monovalent salt solutions. In addition, solutes can affect the stabilities of macromolecules such as proteins in aqueous solution. Here, the diffusivities of aqueous solutions of sodium chloride, potassium chloride, tri-methylamine oxide (TMAO), urea, and TMAO-urea are examined in molecular dynamics simulations. The decrease in the diffusivity of water with the concentration of simple ions and urea can be described by a simple model in which the water molecules hydrogen bonded to the solutes are considered to diffuse at the same rate as the solutes, while the remainder of the water molecules are considered to be bulk and diffuse at almost the same rate as pure water. On the other hand, the decrease in the diffusivity of water with the concentration of TMAO is apparently affected by a decrease in the diffusion rate of the bulk water molecules in addition to the decrease due to the water molecules hydrogen bonded to TMAO. In other words, TMAO enhances the viscosity of water, while urea barely affects it. Overall, this separation of water molecules into those that are hydrogen bonded to solute and those that are bulk can provide a useful means of understanding the short- and long-range effects of solutes on water.

Estimates of diffuse phosphorus sources in surface waters of the United States using a spatially referenced watershed model

USGS Publications Warehouse

Alexander, R.B.; Smith, R.A.; Schwarz, G.E.

2004-01-01

The statistical watershed model SPARROW (SPAtially Referenced Regression On Watershed attributes) was used to estimate the sources and transport of total phosphorus (TP) in surface waters of the United States. We calibrated the model using stream measurements of TP from 336 watersheds of mixed land use and spatial data on topography, soils, stream hydrography, and land use (agriculture, forest, shrub/grass, urban). The model explained 87% of the spatial variability in log transformed stream TP flux (kg yr-1). Predictions of stream yield (kg ha-1 yr-1) were typically within 45% of the observed values at the monitoring sites. The model identified appreciable effects of soils, streams, and reservoirs on TP transport, The estimated aquatic rates of phosphorus removal declined with increasing stream size and rates of water flushing in reservoirs (i.e. areal hydraulic loads). A phosphorus budget for the 2.9 million km2 Mississippi River Basin provides a detailed accounting of TP delivery to streams, the removal of TP in surface waters, and the stream export of TP from major interior watersheds for sources associated with each land-use type. ?? US Government 2004.

Simulations on the Influence of Myelin Water in Diffusion-Weighted Imaging

PubMed Central

Harkins, Kevin D.; Does, Mark D.

2016-01-01

While myelinated axons present an important barrier to water diffusion, many models used to interpret DWI signal neglect other potential influences of myelin. In this work, Monte Carlo simulations were used to test the sensitivity of DWI results to the diffusive properties of water within myelin. Within these simulations, the apparent diffusion coefficient (Dapp) varied slowly over several orders of magnitude of the coefficient of myelin water diffusion (Dm), but exhibited important differences compared to Dapp values simulated that neglect Dm (=0). Compared to Dapp, the apparent diffusion kurtosis (Kapp) was generally more sensitive to Dm. Simulations also tested the sensitivity of Dapp and Kapp to the amount of myelin present. Unique variations in Dapp and Kapp caused by differences in the myelin volume fraction were diminished when myelin water diffusion was included. Also, expected trends in Dapp and Kapp with experimental echo time were reduced or inverted when accounting for myelin water diffusion, and these reduced/inverted trends were seen experimentally in ex vivo rat brain DWI experiments. In general, myelin water has the potential to subtly influence DWI results and bias models of DWI that neglect these components of white matter. PMID:27271991

Estimation of the Number of Compartments Associated With the Apparent Diffusion Coefficient in MRI: The Theoretical and Experimental Investigations.

PubMed

Ashoor, Mansour; Khorshidi, Abdollah

2016-03-01

The goal of the present study was to estimate the number of compartments and the mean apparent diffusion coefficient (ADC) value with the use of the DWI signal curve. A useful new mathematic model that includes internal correlation among subcompartments with a distinct number of compartments was proposed. The DWI signal was simulated to estimate the approximate association between the number of subcompartments and the molecular density, with density corresponding to the ratio of the ADC values of the compartments, as determined using the Monte Carlo method. Various factors, such as energy depletion, temperature, intracellular water accumulation, changes in the tortuosity of the extracellular diffusion paths, and changes in cell membrane permeability, have all been implicated as factors contributing to changes in the ADC of water (ADCw); therefore, one may consider them as pseudocompartments in the new model proposed in this study. The lower the coefficient is, the lower the contribution of the compartment to the net signal will be. The results of the simulation indicate that when the number of compartments increases, the signal will become significantly lower, because the gradient factor (i.e., the b value) will increase. In other words, the signal curve is approximately linear at all b values when the number of compartments in which the tissues have been severely damaged is low; however, when the number of compartments is high, the curve will become constant at high b values, and the perfusion parameters will prevail on the diffusion parameters at low b values. Therefore, normal tissues will be investigated when the number of compartments and the ADC values are high and the b values are low, whereas damaged tissues will be evaluated when the number of compartments and the ADC values are low and the b values are high. The present study investigates damaged tissues at high b values for which the effect of eddy currents will also be compensated. These b values will probably be used in functional MRI.

Expansion of Countermine Lidar UAV-based System (CLUBS)

DTIC Science & Technology

2011-09-30

analysis with environmental conditions, namely; Ft. Lauderdale, FL, Looe Key, FL, Alpena , MI, and Buttermilk Bay, MA (Figure 2). We adopt a...estimated Dstat Looe Key, FL Ft. Lauderdale, FL Alpena , MI Buttermilk Bay, MA Figure 2. Regions of interests picked for the study to...Lauderdale, FL Alpena , MI Buttermilk Bay, MA Water properties Effective Fresnel reflectivity 0.002 0.0028 0.00144 0.0005 Diffuse

A method for estimating the diffuse attenuation coefficient (KdPAR)from paired temperature sensors

USGS Publications Warehouse

Read, Jordan S.; Rose, Kevin C.; Winslow, Luke A.; Read, Emily K.

2015-01-01

A new method for estimating the diffuse attenuation coefficient for photosynthetically active radiation (KdPAR) from paired temperature sensors was derived. We show that during cases where the attenuation of penetrating shortwave solar radiation is the dominant source of temperature changes, time series measurements of water temperatures at multiple depths (z1 and z2) are related to one another by a linear scaling factor (a). KdPAR can then be estimated by the simple equation KdPAR ln(a)/(z2/z1). A suggested workflow is presented that outlines procedures for calculating KdPAR according to this paired temperature sensor (PTS) method. This method is best suited for conditions when radiative temperature gains are large relative to physical noise. These conditions occur frequently on water bodies with low wind and/or high KdPARs but can be used for other types of lakes during time periods of low wind and/or where spatially redundant measurements of temperatures are available. The optimal vertical placement of temperature sensors according to a priori knowledge of KdPAR is also described. This information can be used to inform the design of future sensor deployments using the PTS method or for campaigns where characterizing sub-daily changes in temperatures is important. The PTS method provides a novel method to characterize light attenuation in aquatic ecosystems without expensive radiometric equipment or the user subjectivity inherent in Secchi depth measurements. This method also can enable the estimation of KdPAR at higher frequencies than many manual monitoring programs allow.

Hybrid quantitative MRI using chemical shift displacement and recovery-based simultaneous water and lipid imaging: A preliminary study.

PubMed

Ohno, Naoki; Miyati, Tosiaki; Suzuki, Shuto; Kan, Hirohito; Aoki, Toshitaka; Nakamura, Yoshitaka; Hiramatsu, Yuki; Kobayashi, Satoshi; Gabata, Toshifumi

2018-07-01

To suppress olefinic signals and enable simultaneous and quantitative estimation of multiple functional parameters associated with water and lipid, we investigated a modified method using chemical shift displacement and recovery-based separation of lipid tissue (SPLIT) involving acquisitions with different inversion times (TIs), echo times (TEs), and b-values. Single-shot diffusion echo-planar imaging (SSD-EPI) with multiple b-values (0-3000 s/mm 2 ) was performed without fat suppression to separate water and lipid images using the chemical shift displacement of lipid signals in the phase-encoding direction. An inversion pulse (TI = 292 ms) was applied to SSD-EPI to remove olefinic signals. Consecutively, SSD-EPI (b = 0 s/mm 2 ) was performed with TI = 0 ms and TE = 31.8 ms for T 1 and T 2 measurements, respectively. Under these conditions, transverse water and lipid images at the maximum diameter of the right calf were obtained in six healthy subjects. T 1 , T 2 , and the apparent diffusion coefficients (ADC) were then calculated for the tibialis anterior (TA), gastrocnemius (GM), and soleus (SL) muscles, tibialis bone marrow (TB), and subcutaneous fat (SF). Perfusion-related (D*) and restricted diffusion coefficients (D) were calculated for the muscles. Lastly, the lipid fractions (LF) of the muscles were determined after T 1 and T 2 corrections. The modified SPLIT method facilitated sufficient separation of water and lipid images of the calf, and the inversion pulse with TI of 292 ms effectively suppressed olefinic signals. All quantitative parameters obtained with the modified SPLIT method were found to be in general agreement with those previously reported in the literature. The modified SPLIT technique enabled sufficient suppression of olefinic signals and simultaneous acquisition of quantitative parameters including diffusion, perfusion, T 1 and T 2 relaxation times, and LF. Copyright © 2018. Published by Elsevier Inc.

Hadean Oceanography: Experimental Constraints on the Development of the Terrestrial Hydrosphere and the Origin of Life on Earth

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ryerson, F J

The oxygen isotopic compositions of the world's oldest mineral grains, zircon, have recently been used to infer the compositions of the rocks from which they crystallized. The results appear to require a source that had once experienced isotopic fractionation between clay minerals and liquid water, thereby implying the presence of liquid water at the Earth's surface prior to 4.4 billion years ago, less than 2 million years after accretion. This observation has important implications for the development of the Earth's continental crust. The inferred composition of the zircon source rock is directly dependent upon the oxygen isotopic fractionation between zirconmore » and melt, and zircon and water. These fractionation factors have not been determined experimentally, however, constituting the weak link in this argument. A series of experiments to measure these fractionation factors has been conducted. The experiments consist of finely powdered quartz, a polished single crystal of zircon and isotopically-enriched or isotopically normal water to provide a range of isotopic compositions. The experiments will be run until quartz is in isotopic equilibrium with water. Zircon was expected to partially equilibrate producing an oxygen isotopic diffusion profile perpendicular to the surface. Ion probe spot analysis of quartz and depth profiling of zircon will determine the bulk and surface isotopic compositions of the phases, respectively. The well-known quartz-water isotopic fractionation factors can be used to calculate the oxygen isotopic composition of the fluid, and with the zircon surface composition, the zircon-water fractionation factor. Run at temperatures up to 1000 C for as long as 500 hours have not produced diffusion profiles longer than 50 nm. The steep isotopic gradient at the samples surface precludes use of the diffusion profile for estimation on the surface isotopic composition. The short profiles may be the result of surface dissolution, although such dissolution cannot be resolved in SEM images. The sluggish nature of diffusion in zircon may require that fractionation factors be determined by direct hydrothermal synthesis of zircon rather than by mineral-fluid exchange.« less

Measurement and interpretation of the oxygen isotope composition of carbon dioxide respired by leaves in the dark.

PubMed

Cernusak, Lucas A; Farquhar, Graham D; Wong, S Chin; Stuart-Williams, Hilary

2004-10-01

We measured the oxygen isotope composition (delta(18)O) of CO(2) respired by Ricinus communis leaves in the dark. Experiments were conducted at low CO(2) partial pressure and at normal atmospheric CO(2) partial pressure. Across both experiments, the delta(18)O of dark-respired CO(2) (delta(R)) ranged from 44 per thousand to 324 per thousand (Vienna Standard Mean Ocean Water scale). This seemingly implausible range of values reflects the large flux of CO(2) that diffuses into leaves, equilibrates with leaf water via the catalytic activity of carbonic anhydrase, then diffuses out of the leaf, leaving the net CO(2) efflux rate unaltered. The impact of this process on delta(R) is modulated by the delta(18)O difference between CO(2) inside the leaf and in the air, and by variation in the CO(2) partial pressure inside the leaf relative to that in the air. We developed theoretical equations to calculate delta(18)O of CO(2) in leaf chloroplasts (delta(c)), the assumed location of carbonic anhydrase activity, during dark respiration. Their application led to sensible estimates of delta(c), suggesting that the theory adequately accounted for the labeling of CO(2) by leaf water in excess of that expected from the net CO(2) efflux. The delta(c) values were strongly correlated with delta(18)O of water at the evaporative sites within leaves. We estimated that approximately 80% of CO(2) in chloroplasts had completely exchanged oxygen atoms with chloroplast water during dark respiration, whereas approximately 100% had exchanged during photosynthesis. Incorporation of the delta(18)O of leaf dark respiration into ecosystem and global scale models of C(18)OO dynamics could affect model outputs and their interpretation.

Global Mapping of Underwater UV Irradiances and DNA-Weighted Exposures using TOMS and SeaWiFS Data Products

NASA Technical Reports Server (NTRS)

Vasilkov, Alexander; Krotkov, Nickolay; Herman, Jay; McClain, Charles; Arrigo, Kevin; Robinson, Wayne

1999-01-01

The global stratospheric ozone-layer depletion results In an increase in biologically harmful ultraviolet (UV) radiation reaching the surface and penetrating to ecologically significant depths in natural waters. Such an increase can be estimated on a global scale by combining satellite estimates of UV irradiance at the ocean surface from the Total Ozone Mapping Spectrometer (TOMS) satellite instrument with the SeaWIFS satellite ocean-color measurements in the visible spectral region. In this paper we propose a model of seawater optical properties in the UV spectral region based on the Case I water model in the visible range. The inputs to the model are standard monthly SeaWiFS products: chlorophyll concentration and the diffuse attenuation coefficient at 490nm. Penetration of solar UV radiation to different depths in open ocean waters is calculated using the RT (radiative transfer) quasi-single scattering approximation (QSSA). The accuracy of the QSSA approximation in the water is tested using more accurate codes. The sensitivity study of the underwater UV irradiance to atmospheric and oceanic optical properties have shown that the main environmental parameters controlling the absolute levels of the UVB (280-320nm) and DNA-weighted irradiance underwater are: solar-zenith angle, cloud transmittance, water optical properties, and total ozone. Weekly maps of underwater UV irradiance and DNA-weighted exposure are calculated using monthly-mean SeaWiFS chlorophyll and diffuse attenuation coefficient products, daily SeaWiFS cloud fraction data, and the TOMS-derived surface UV irradiance daily maps. The final products include global maps of weekly-average UVB irradiance and DNA-weighted daily exposures at 3m and 10m, and depths where the UVB irradiance and DNA-weighted dose rate at local noon are equal to 10% of their surface values.

Worldwide Ocean Optics Database (WOOD)

DTIC Science & Technology

2002-09-30

attenuation estimated from diffuse attenuation and backscatter data). Error estimates will also be provided for the computed results. Extensive algorithm...empirical algorithms (e.g., beam attenuation estimated from diffuse attenuation and backscatter data). Error estimates will also be provided for the...properties, including diffuse attenuation, beam attenuation, and scattering. Data from ONR-funded bio-optical cruises will be given priority for loading

Solar Resource Assessment for Sri Lanka and Maldives

DOE Office of Scientific and Technical Information (OSTI.GOV)

Renne, D.; George, R.; Marion, B.

2003-08-01

The countries of Sri Lanka and the Maldives lie within the equatorial belt, a region where substantial solar energy resources exist throughout much of the year in adequate quantities for many applications, including solar water heating, solar electricity, and desalination. The extent of solar resources in Sri Lanka has been estimated in the past based on a study of the daily total direct sunshine hours recorded at a number of weather and agricultural stations throughout the country. These data have been applied to the well-known Angstrom relationship in order to obtain an estimate of the distribution of monthly average dailymore » total solar resources at these stations. This study is an effort in improve on these estimates in two ways: (1) to apply a gridded cloud cover database at a 40-km resolution to produce updated monthly average daily total estimates of all solar resources (global horizontal, DNI, and diffuse) for the country, and (2) to input hourly or three-hourly cloud cover observations made at nine weather stations in Sri Lanka and two in the Maldives into a solar model that produces estimates of hourly solar radiation values of the direct normal, global, and diffuse resource covering the length of the observational period. Details and results of these studies are summarized in this report.« less

Theoretical and experimental studies of water interaction in acetate based ionic liquids.

PubMed

Shi, Wei; Damodaran, Krishnan; Nulwala, Hunaid B; Luebke, David R

2012-12-05

Water interactions in 1-ethyl-3-methylimidazolium acetate ([emim][CH(3)COO]) were studied utilizing classical and ab initio simulation methods. The self-diffusivities for water and the ionic liquid (IL) were studied experimentally using pulse field gradient NMR spectroscopy and correlated with computational results. Water forms hydrogen bonding networks with the ionic liquid, and depending on the concentration of water, there are profound effects on the self-diffusivities of the various species. Both simulation and experiments show that the self-diffusivities for species in the water-[emim][CH(3)COO] system exhibit minima at 40-50 mol% water. Water interaction with the [CH(3)COO](-) anion predominates over the water-water and water-cation interactions at most water concentrations. Simulations further indicate that decreasing water-[CH(3)COO](-) interaction will increase the IL and water self-diffusivities. Self-diffusivities in the water-IL systems are dependent upon the cation in a complex way. Water interactions with [P(4444)][CH(3)COO] are reduced compared to [emim][CH(3)COO]. The [P(4444)](+) cation is bulkier than the [emim](+) cation and has a smaller self-diffusivity, but when water was introduced to [P(4444)] [CH(3)COO], the water-[CH(3)COO](-) hydrogen bonding network in the [P(4444)][CH(3)COO] was much smaller than the one observed in [emim][CH(3)COO].

Diffusion of hydrous species in model basaltic melt

NASA Astrophysics Data System (ADS)

Zhang, Li; Guo, Xuan; Wang, Qinxia; Ding, Jiale; Ni, Huaiwei

2017-10-01

Water diffusion in Fe-free model basaltic melt with up to 2 wt% H2O was investigated at 1658-1846 K and 1 GPa in piston-cylinder apparatus using both hydration and diffusion couple techniques. Diffusion profiles measured by FTIR are consistent with a model in which both molecular H2O (H2Om) and hydroxyl (OH) contribute to water diffusion. OH diffusivity is roughly 13% of H2Om diffusivity, showing little dependence on temperature or water concentration. Water diffusion is dominated by the motion of OH until total H2O (H2Ot) concentration reaches 1 wt%. The dependence of apparent H2Ot diffusivity on H2Ot concentration appears to be overestimated by a previous study on MORB melt, but H2Ot diffusivity at 1 wt% H2Ot in basaltic melt is still greater than those in rhyolitic to andesitic melts. The appreciable contribution of OH to water diffusion in basaltic melt can be explained by enhanced mobility of OH, probably associated with the development of free hydroxyl bonded with network-modifying cations, as well as higher OH concentration. Calculation based on the Nernst-Einstein equation demonstrates that OH may serve as an effective charge carrier in hydrous basaltic melt, which could partly account for the previously observed strong influence of water on electrical conductivity of basaltic melt.

The Effect of Pickling on Blue Borscht Gelatin and Other Interesting Diffusive Phenomena.

ERIC Educational Resources Information Center

Davis, Lawrence C.; Chou, Nancy C.

1998-01-01

Presents some simple demonstrations that students can construct for themselves in class to learn the difference between diffusion and convection rates. Uses cabbage leaves and gelatin and focuses on diffusion in ungelified media, a quantitative diffusion estimate with hydroxyl ions, and a quantitative diffusion estimate with photons. (DDR)

Use of GRACE Terrestrial Water Storage Retrievals to Evaluate Model Estimates by the Australian Water Resources Assessment System

NASA Technical Reports Server (NTRS)

van Dijk, A. I. J. M.; Renzullo, L. J.; Rodell, M.

2011-01-01

Terrestrial water storage (TWS) estimates retrievals from the Gravity Recovery and Climate Experiment (GRACE) satellite mission were compared to TWS modeled by the Australian Water Resources Assessment (AWRA) system. The aim was to test whether differences could be attributed and used to identify model deficiencies. Data for 2003 2010 were decomposed into the seasonal cycle, linear trends and the remaining de-trended anomalies before comparing. AWRA tended to have smaller seasonal amplitude than GRACE. GRACE showed a strong (greater than 15 millimeter per year) drying trend in northwest Australia that was associated with a preceding period of unusually wet conditions, whereas weaker drying trends in the southern Murray Basin and southwest Western Australia were associated with relatively dry conditions. AWRA estimated trends were less negative for these regions, while a more positive trend was estimated for areas affected by cyclone Charlotte in 2009. For 2003-2009, a decrease of 7-8 millimeter per year (50-60 cubic kilometers per year) was estimated from GRACE, enough to explain 6-7% of the contemporary rate of global sea level rise. This trend was not reproduced by the model. Agreement between model and data suggested that the GRACE retrieval error estimates are biased high. A scaling coefficient applied to GRACE TWS to reduce the effect of signal leakage appeared to degrade quantitative agreement for some regions. Model aspects identified for improvement included a need for better estimation of rainfall in northwest Australia, and more sophisticated treatment of diffuse groundwater discharge processes and surface-groundwater connectivity for some regions.

Application of the WFD cost proportionality principle to diffuse pollution mitigation: a case study for Scottish Lochs.

PubMed

Vinten, A J A; Martin-Ortega, J; Glenk, K; Booth, P; Balana, B B; MacLeod, M; Lago, M; Moran, D; Jones, M

2012-04-30

The Water Framework Directive (WFD) aims to deliver good ecological status (GES) for Europe's waters. It prescribes the use of economic principles, such as derogation from GES on grounds of disproportionate costs of mitigation. This paper proposes an application of the proportionality principle to mitigation of phosphorus (P) pollution of 544 Scottish lochs at national and local water body scales. P loading estimates were derived from a national diffuse pollution screening tool. For 293 of these lochs (31% of the loch area), GES already occurred. Mitigation cost-effectiveness was assessed using combined mitigation cost curves for managed grassland, rough grazing, arable land, sewage and septic tank sources. These provided sufficient mitigation (92% of national P load) for GES to be achieved on another 31% of loch area at annualised cost of £2.09 m/y. Mitigation of the residual P loading preventing other lochs achieving GES was considered by using a "mop-up" cost of £200/kg P (assumed cost effectiveness of removal of P directly from lochs), leading to a total cost of £189 m/y. Lochs were ranked by mitigation costs per loch area to give a national scale marginal mitigation cost curve. A published choice experiment valuation of WFD targets for Scottish lochs was used to estimate marginal benefits at national scale and combined with the marginal cost curve. This gave proportionate costs of £5.7 m/y leading to GES in 72% of loch area. Using national mean marginal benefits with a scheme to estimate changes in individual loch value with P loading gave proportionate costs of £25.6 m/y leading to GES in 77% of loch area (491 lochs). Copyright © 2011 Elsevier Ltd. All rights reserved.

Differences in Gaussian diffusion tensor imaging and non-Gaussian diffusion kurtosis imaging model-based estimates of diffusion tensor invariants in the human brain.

PubMed

Lanzafame, S; Giannelli, M; Garaci, F; Floris, R; Duggento, A; Guerrisi, M; Toschi, N

2016-05-01

An increasing number of studies have aimed to compare diffusion tensor imaging (DTI)-related parameters [e.g., mean diffusivity (MD), fractional anisotropy (FA), radial diffusivity (RD), and axial diffusivity (AD)] to complementary new indexes [e.g., mean kurtosis (MK)/radial kurtosis (RK)/axial kurtosis (AK)] derived through diffusion kurtosis imaging (DKI) in terms of their discriminative potential about tissue disease-related microstructural alterations. Given that the DTI and DKI models provide conceptually and quantitatively different estimates of the diffusion tensor, which can also depend on fitting routine, the aim of this study was to investigate model- and algorithm-dependent differences in MD/FA/RD/AD and anisotropy mode (MO) estimates in diffusion-weighted imaging of human brain white matter. The authors employed (a) data collected from 33 healthy subjects (20-59 yr, F: 15, M: 18) within the Human Connectome Project (HCP) on a customized 3 T scanner, and (b) data from 34 healthy subjects (26-61 yr, F: 5, M: 29) acquired on a clinical 3 T scanner. The DTI model was fitted to b-value =0 and b-value =1000 s/mm(2) data while the DKI model was fitted to data comprising b-value =0, 1000 and 3000/2500 s/mm(2) [for dataset (a)/(b), respectively] through nonlinear and weighted linear least squares algorithms. In addition to MK/RK/AK maps, MD/FA/MO/RD/AD maps were estimated from both models and both algorithms. Using tract-based spatial statistics, the authors tested the null hypothesis of zero difference between the two MD/FA/MO/RD/AD estimates in brain white matter for both datasets and both algorithms. DKI-derived MD/FA/RD/AD and MO estimates were significantly higher and lower, respectively, than corresponding DTI-derived estimates. All voxelwise differences extended over most of the white matter skeleton. Fractional differences between the two estimates [(DKI - DTI)/DTI] of most invariants were seen to vary with the invariant value itself as well as with MK/RK/AK values, indicating substantial anatomical variability of these discrepancies. In the HCP dataset, the median voxelwise percentage differences across the whole white matter skeleton were (nonlinear least squares algorithm) 14.5% (8.2%-23.1%) for MD, 4.3% (1.4%-17.3%) for FA, -5.2% (-48.7% to -0.8%) for MO, 12.5% (6.4%-21.2%) for RD, and 16.1% (9.9%-25.6%) for AD (all ranges computed as 0.01 and 0.99 quantiles). All differences/trends were consistent between the discovery (HCP) and replication (local) datasets and between estimation algorithms. However, the relationships between such trends, estimated diffusion tensor invariants, and kurtosis estimates were impacted by the choice of fitting routine. Model-dependent differences in the estimation of conventional indexes of MD/FA/MO/RD/AD can be well beyond commonly seen disease-related alterations. While estimating diffusion tensor-derived indexes using the DKI model may be advantageous in terms of mitigating b-value dependence of diffusivity estimates, such estimates should not be referred to as conventional DTI-derived indexes in order to avoid confusion in interpretation as well as multicenter comparisons. In order to assess the potential and advantages of DKI with respect to DTI as well as to standardize diffusion-weighted imaging methods between centers, both conventional DTI-derived indexes and diffusion tensor invariants derived by fitting the non-Gaussian DKI model should be separately estimated and analyzed using the same combination of fitting routines.

Quantitative relationship between the octanol/water partition coefficient and the diffusion limitation of the exchange between adipose and blood

PubMed Central

2010-01-01

Background The goal of physiologically based pharmacokinetics (PBPK) is to predict drug kinetics from an understanding of the organ/blood exchange. The standard approach is to assume that the organ is "flow limited" which means that the venous blood leaving the organ equilibrates with the well-stirred tissue compartment. Although this assumption is valid for most solutes, it has been shown to be incorrect for several very highly fat soluble compounds which appear to be "diffusion limited". This paper describes the physical basis of this adipose diffusion limitation and its quantitative dependence on the blood/water (Kbld-wat) and octanol/water (Kow) partition coefficient. Methods Experimental measurements of the time dependent rat blood and adipose concentration following either intravenous or oral input were used to estimate the "apparent" adipose perfusion rate (FA) assuming that the tissue is flow limited. It is shown that the ratio of FA to the anatomic perfusion rate (F) provides a measure of the diffusion limitation. A quantitative relationship between this diffusion limitation and Kbld-wat and Kow is derived. This analysis was applied to previously published data, including the Oberg et. al. measurements of the rat plasma and adipose tissue concentration following an oral dose of a mixture of 13 different polychlorinated biphenyls. Results Solutes become diffusion limited at values of log Kow greater than about 5.6, with the adipose-blood exchange rate reduced by a factor of about 30 for a solute with a log Kow of 7.36. Quantitatively, a plot of FA/F versus Kow is well described assuming an adipose permeability-surface area product (PS) of 750/min. This PS corresponds to a 0.14 micron aqueous layer separating the well-stirred blood from the adipose lipid. This is approximately equal to the thickness of the rat adipose capillary endothelium. Conclusions These results can be used to quantitate the adipose-blood diffusion limitation as a function of Kow. This is especially important for the highly fat soluble persistent organic chemicals (e.g. polychlorinated biphenyls, dioxins) whose pharmacokinetics are primarily determined by the adipose-blood exchange kinetics. PMID:20055995

Quantitative relationship between the octanol/water partition coefficient and the diffusion limitation of the exchange between adipose and blood.

PubMed

Levitt, David G

2010-01-07

The goal of physiologically based pharmacokinetics (PBPK) is to predict drug kinetics from an understanding of the organ/blood exchange. The standard approach is to assume that the organ is "flow limited" which means that the venous blood leaving the organ equilibrates with the well-stirred tissue compartment. Although this assumption is valid for most solutes, it has been shown to be incorrect for several very highly fat soluble compounds which appear to be "diffusion limited". This paper describes the physical basis of this adipose diffusion limitation and its quantitative dependence on the blood/water (Kbld-wat) and octanol/water (Kow) partition coefficient. Experimental measurements of the time dependent rat blood and adipose concentration following either intravenous or oral input were used to estimate the "apparent" adipose perfusion rate (FA) assuming that the tissue is flow limited. It is shown that the ratio of FA to the anatomic perfusion rate (F) provides a measure of the diffusion limitation. A quantitative relationship between this diffusion limitation and Kbld-wat and Kow is derived. This analysis was applied to previously published data, including the Oberg et. al. measurements of the rat plasma and adipose tissue concentration following an oral dose of a mixture of 13 different polychlorinated biphenyls. Solutes become diffusion limited at values of log Kow greater than about 5.6, with the adipose-blood exchange rate reduced by a factor of about 30 for a solute with a log Kow of 7.36. Quantitatively, a plot of FA/F versus Kow is well described assuming an adipose permeability-surface area product (PS) of 750/min. This PS corresponds to a 0.14 micron aqueous layer separating the well-stirred blood from the adipose lipid. This is approximately equal to the thickness of the rat adipose capillary endothelium. These results can be used to quantitate the adipose-blood diffusion limitation as a function of Kow. This is especially important for the highly fat soluble persistent organic chemicals (e.g. polychlorinated biphenyls, dioxins) whose pharmacokinetics are primarily determined by the adipose-blood exchange kinetics.

Strain localization and fabric development in polycrystalline anorthite + melt by water diffusion in an axial deformation experiment

NASA Astrophysics Data System (ADS)

Fukuda, Jun-ichi; Muto, Jun; Nagahama, Hiroyuki

2018-01-01

We performed two axial deformation experiments on synthetic polycrystalline anorthite samples with a grain size of 3 μm and 5 vol% Si-Al-rich glass at 900 °C, a confining pressure of 1.0 GPa, and a strain rate of 10-4.8 s-1. One sample was deformed as-is (dry); in the other sample, two half-cut samples (two cores) with 0.15 wt% water at the boundary were put together in the apparatus. The mechanical data for both samples were essentially identical with a yield strength of 700 MPa and strain weakening of 500 MPa by 20% strain. The dry sample appears to have been deformed by distributed fracturing. Meanwhile, the water-added sample shows plastic strain localization in addition to fracturing and reaction products composed of zoisite grains and SiO2 materials along the boundary between the two sample cores. Infrared spectra of the water-added sample showed dominant water bands of zoisite. The maximum water content was 1500 wt ppm H2O at the two-core boundary, which is the same as the added amount. The water contents gradually decreased from the boundaries to the sample interior, and the gradient fitted well with the solution of the one-dimensional diffusion equation. The determined diffusion coefficient was 7.4 × 10-13 m2/s, which agrees with previous data for the grain boundary diffusion of water. The anorthite grains in the water-added sample showed no crystallographic preferred orientation. Textural observations and water diffusion indicate that water promotes the plastic deformation of polycrystalline anorthite by grain-size-sensitive creep as well as simultaneous reactions. We calculated the strain rate evolution controlled by water diffusion in feldspar aggregates surrounded by a water source. We assumed water diffusion in a dry rock mass with variable sizes. Diffused water weakens a rock mass with time under compressive stress. The calculated strain rate decreased from 10-10 to 10-15 s-1 with an increase in the rock mass size to which water is supplied from < 1 m to 1 km and an increase in the time of water diffusion from < 1 to 10,000 years. This indicates a decrease in the strain rate in a rock mass with increasing deformation via water diffusion.

Lambert-Beer law in ocean waters: optical properties of water and of dissolved/suspended material, optical energy budgets.

PubMed

Stavn, R H

1988-01-15

The role of the Lambert-Beer law in ocean optics is critically examined. The Lambert-Beer law and the three-parameter model of the submarine light field are used to construct an optical energy budget for any hydrosol. It is further applied to the analytical exponential decay coefficient of the light field and used to estimate the optical properties and effects of the dissolved/suspended component in upper ocean layers. The concepts of the empirical exponential decay coefficient (diffuse attenuation coefficient) of the light field and a constant exponential decay coefficient for molecular water are analyzed quantitatively. A constant exponential decay coefficient for water is rejected. The analytical exponential decay coefficient is used to analyze optical gradients in ocean waters.

Structural and water diffusion of poly(acryl amide)/poly(vinyl alcohol) blend films: Experiment and molecular dynamics simulations.

PubMed

Wang, Yanen; Wei, Qinghua; Wang, Shuzhi; Chai, Weihong; Zhang, Yingfeng

2017-01-01

To study the effects of composition ratios and temperature on the diffusion of water molecules in PVA/PAM blend films, five simulation models of PVA/PAM with ten water molecules at different composition ratios (4/0, 3/1, 2/2, 1/3, 0/4) were constructed and simulated by using a molecular dynamics (MD) simulation. The diffusion behavior of water molecules in blends were investigated from the aspects of the diffusion coefficient, free volume, pair correlation function (PCF) and trajectories of water molecules, respectively. And the hydrophilicity of blend composite was studied based on the contact angle and equilibrium water content (EWC) of the blend films. The simulation results show that the diffusion coefficient of water molecules and fractional free volume (FFV) of blend membranes increase with the addition of PAM, and a higher temperature can also improve the diffusion of water molecules. Additionally, the analysis of PCFs reveals the main reason why the diffusion coefficient of water in blend system increases with the addition of PAM. The measurement results of contact angle and EWC of blend films indicate that the hydrophilicity of blend films decreases with the addition of PAM, but the EWC of blends increases with the addition of PAM. Copyright © 2016 Elsevier Inc. All rights reserved.

Fish population dynamics in a seasonally varying wetland

USGS Publications Warehouse

DeAngelis, Donald L.; Trexler, Joel C.; Cosner, Chris; Obaza, Adam; Jopp, Fred

2010-01-01

Small fishes in seasonally flooded environments such as the Everglades are capable of spreading into newly flooded areas and building up substantial biomass. Passive drift cannot account for the rapidity of observed population expansions. To test the reaction-diffusion mechanism for spread of the fish, we estimated their diffusion coefficient and applied a reaction-diffusion model. This mechanism was also too weak to account for the spatial dynamics. Two other hypotheses were tested through modeling. The first--the 'refuge mechanism--hypothesizes that small remnant populations of small fishes survive the dry season in small permanent bodies of water (refugia), sites where the water level is otherwise below the surface. The second mechanism, which we call the 'dynamic ideal free distribution mechanism' is that consumption by the fish creates a prey density gradient and that fish taxis along this gradient can lead to rapid population expansion in space. We examined the two alternatives and concluded that although refugia may play an important role in recolonization by the fish population during reflooding, only the second, taxis in the direction of the flooding front, seems capable of matching empirical observations. This study has important implications for management of wetlands, as fish biomass is an essential support of higher trophic levels.

Comparison of groundwater recharge estimation techniques in an alluvial aquifer system with an intermittent/ephemeral stream (Queensland, Australia)

NASA Astrophysics Data System (ADS)

King, Adam C.; Raiber, Matthias; Cox, Malcolm E.; Cendón, Dioni I.

2017-09-01

This study demonstrates the importance of the conceptual hydrogeological model for the estimation of groundwater recharge rates in an alluvial system interconnected with an ephemeral or intermittent stream in south-east Queensland, Australia. The losing/gaining condition of these streams is typically subject to temporal and spatial variability, and knowledge of these hydrological processes is critical for the interpretation of recharge estimates. Recharge rate estimates of 76-182 mm/year were determined using the water budget method. The water budget method provides useful broad approximations of recharge and discharge fluxes. The chloride mass balance (CMB) method and the tritium method were used on 17 and 13 sites respectively, yielding recharge rates of 1-43 mm/year (CMB) and 4-553 mm/year (tritium method). However, the conceptual hydrogeological model confirms that the results from the CMB method at some sites are not applicable in this setting because of overland flow and channel leakage. The tritium method was appropriate here and could be applied to other alluvial systems, provided that channel leakage and diffuse infiltration of rainfall can be accurately estimated. The water-table fluctuation (WTF) method was also applied to data from 16 bores; recharge estimates ranged from 0 to 721 mm/year. The WTF method was not suitable where bank storage processes occurred.

Modelling of underwater light fields in turbid and eutrophic waters: application and validation with experimental data

NASA Astrophysics Data System (ADS)

Sundarabalan, B.; Shanmugam, P.

2014-09-01

A reliable radiative transfer model is an essential and indispensable tool for understanding of the radiative transfer processes in homogenous and layered waters, analyzing measurements made by radiance sensors and developing remote sensing algorithms to derive meaningful physical quantities and biogeochemical variables in turbid and productive coastal waters. Existing radiative transfer models have been designed to be applicable to either homogenous waters or inhomogeneous waters. To overcome such constraints associated with these models, this study presents a radiative transfer model that treats a homogenous layer as a diffuse part and an inhomogeneous layer as a direct part in the water column and combines these two parts appropriately in order to generate more reliable underwater light field data such as upwelling radiance (Lu), downwelling irradiance (Ed) and upwelling irradiance (Eu). The diffuse model assumes the inherent optical properties (IOPs) to be vertically continuous and the light fields to exponentially decrease with the depth, whereas the direct part considers the water column to be vertically inhomogeneous (layer-by-layer phenomena) with the vertically varying phase function. The surface and bottom boundary conditions, source function due to chlorophyll and solar incident geometry are also included in the present RT model. The performance of this model is assessed in a variety of waters (clear, turbid and eutrophic) using the measured radiometric data. The present model shows an advantage in terms of producing accurate Lu, Ed and Eu profiles (in spatial domain) in different waters determined by both homogenous and inhomogeneous conditions. The feasibility of predicting these underwater light fields based on the remotely estimated IOP data is also examined using the present RT model. For this application, vertical profiles of the water constituents and IOPs are estimated by empirical models based on our in-situ data. The present RT model generates Lu, Ed and Eu spectra closely consistent with the measured data. These results lead to a conclusion that the present RT model is a viable alternative to existing RT models and has an important implication for remote sensing of optically complex waters.

Modelling of underwater light fields in turbid and eutrophic waters: application and validation with experimental data

NASA Astrophysics Data System (ADS)

Sundarabalan, B.; Shanmugam, P.

2015-01-01

A reliable radiative transfer (RT) model is an essential and indispensable tool for understanding the radiative transfer processes in homogenous and layered waters, analyzing measurements made by radiance sensors and developing remote-sensing algorithms to derive meaningful physical quantities and biogeochemical variables in turbid and productive coastal waters. Existing radiative transfer models have been designed to be applicable to either homogenous waters or inhomogeneous waters. To overcome such constraints associated with these models, this study presents a radiative transfer model that treats a homogenous layer as a diffuse part and an inhomogeneous layer as a direct part in the water column and combines these two parts appropriately in order to generate more reliable underwater light-field data such as upwelling radiance (Lu), downwelling irradiance (Ed) and upwelling irradiance (Eu). The diffuse model assumes the inherent optical properties (IOPs) to be vertically continuous and the light fields to exponentially decrease with depth, whereas the direct part considers the water column to be vertically inhomogeneous (layer-by-layer phenomena) with the vertically varying phase function. The surface and bottom boundary conditions, source function due to chlorophyll and solar incident geometry are also included in the present RT model. The performance of this model is assessed in a variety of waters (clear, turbid and eutrophic) using the measured radiometric data. The present model shows an advantage in terms of producing accurate Lu, Ed and Eu profiles (in spatial domain) in different waters determined by both homogenous and inhomogeneous conditions. The feasibility of predicting these underwater light fields based on the remotely estimated IOP data is also examined using the present RT model. For this application, vertical profiles of the water constituents and IOPs are estimated by empirical models based on our in situ data. The present RT model generates Lu, Ed and Eu spectra closely consistent with the measured data. These results lead to a conclusion that the present RT model is a viable alternative to existing RT models and has an important implication for remote sensing of optically complex waters.

Equilibration and analysis of first-principles molecular dynamics simulations of water

NASA Astrophysics Data System (ADS)

Dawson, William; Gygi, François

2018-03-01

First-principles molecular dynamics (FPMD) simulations based on density functional theory are becoming increasingly popular for the description of liquids. In view of the high computational cost of these simulations, the choice of an appropriate equilibration protocol is critical. We assess two methods of estimation of equilibration times using a large dataset of first-principles molecular dynamics simulations of water. The Gelman-Rubin potential scale reduction factor [A. Gelman and D. B. Rubin, Stat. Sci. 7, 457 (1992)] and the marginal standard error rule heuristic proposed by White [Simulation 69, 323 (1997)] are evaluated on a set of 32 independent 64-molecule simulations of 58 ps each, amounting to a combined cumulative time of 1.85 ns. The availability of multiple independent simulations also allows for an estimation of the variance of averaged quantities, both within MD runs and between runs. We analyze atomic trajectories, focusing on correlations of the Kohn-Sham energy, pair correlation functions, number of hydrogen bonds, and diffusion coefficient. The observed variability across samples provides a measure of the uncertainty associated with these quantities, thus facilitating meaningful comparisons of different approximations used in the simulations. We find that the computed diffusion coefficient and average number of hydrogen bonds are affected by a significant uncertainty in spite of the large size of the dataset used. A comparison with classical simulations using the TIP4P/2005 model confirms that the variability of the diffusivity is also observed after long equilibration times. Complete atomic trajectories and simulation output files are available online for further analysis.

Equilibration and analysis of first-principles molecular dynamics simulations of water.

PubMed

Dawson, William; Gygi, François

2018-03-28

First-principles molecular dynamics (FPMD) simulations based on density functional theory are becoming increasingly popular for the description of liquids. In view of the high computational cost of these simulations, the choice of an appropriate equilibration protocol is critical. We assess two methods of estimation of equilibration times using a large dataset of first-principles molecular dynamics simulations of water. The Gelman-Rubin potential scale reduction factor [A. Gelman and D. B. Rubin, Stat. Sci. 7, 457 (1992)] and the marginal standard error rule heuristic proposed by White [Simulation 69, 323 (1997)] are evaluated on a set of 32 independent 64-molecule simulations of 58 ps each, amounting to a combined cumulative time of 1.85 ns. The availability of multiple independent simulations also allows for an estimation of the variance of averaged quantities, both within MD runs and between runs. We analyze atomic trajectories, focusing on correlations of the Kohn-Sham energy, pair correlation functions, number of hydrogen bonds, and diffusion coefficient. The observed variability across samples provides a measure of the uncertainty associated with these quantities, thus facilitating meaningful comparisons of different approximations used in the simulations. We find that the computed diffusion coefficient and average number of hydrogen bonds are affected by a significant uncertainty in spite of the large size of the dataset used. A comparison with classical simulations using the TIP4P/2005 model confirms that the variability of the diffusivity is also observed after long equilibration times. Complete atomic trajectories and simulation output files are available online for further analysis.

Water activity and mobility in solutions of glycerol and small molecular weight sugars: Implication for cryo- and lyopreservation

NASA Astrophysics Data System (ADS)

He, Xiaoming; Fowler, Alex; Toner, Mehmet

2006-10-01

In this study, the free volume models, originally developed for large molecular weight polymer-solvent systems, were used to study the water activity and mobility in solutions of four small molecular weight cryo-/lyoprotectants, viz., glycerol, a monosaccharide (fructose), and two disaccharides (sucrose and trehalose). The free volume model parameters were determined by fitting the models to available experimental data using a nonlinear optimization procedure. It was found that free volume models could accurately predict the available experimental data, which suggests that the free volume models might be generally applicable to aqueous solutions of small molecular weight cryo-/lyoprotectants. Furthermore, several models for estimating the mutual diffusion coefficient were tested using available experimental data for aqueous solutions of glycerol and a better method to estimate the mutual diffusion coefficient was proposed. Free volume models were used to predict and analyze the water activity and mobility in solutions of four cryo-/lyoprotectants under conditions frequently encountered in cryo-/lyopreservation applications. It was found that the water mobility in the glassy state of the above four solutions is essentially negligible in the case of cryopreservation with storage temperature lower than -110°C. However, the water mobility in a glass at higher temperature (>-80°C) may be significant. As a result, a subcooling of up to 50°C may be necessary for the long-term cryo-/lyopreservation of biomaterials depending on the water content and the type of cryo-/lyoprotectants. It was further shown that trehalose might be the best of the four protectants studied for lyopreservation (water mass fraction ⩽0.1) when the storage temperature is above the room temperature. The results from this study might be useful for the development of more effective protocols for both cryopreservation and lyopreservation of living cells and other biomaterials.

Nanometer-scale water- and proton-diffusion heterogeneities across water channels in polymer electrolyte membranes.

PubMed

Song, Jinsuk; Han, Oc Hee; Han, Songi

2015-03-16

Nafion, the most widely used polymer for electrolyte membranes (PEMs) in fuel cells, consists of a fluorocarbon backbone and acidic groups that, upon hydration, swell to form percolated channels through which water and ions diffuse. Although the effects of the channel structures and the acidic groups on water/ion transport have been studied before, the surface chemistry or the spatially heterogeneous diffusivity across water channels has never been shown to directly influence water/ion transport. By the use of molecular spin probes that are selectively partitioned into heterogeneous regions of the PEM and Overhauser dynamic nuclear polarization relaxometry, this study reveals that both water and proton diffusivity are significantly faster near the fluorocarbon and the acidic groups lining the water channels than within the water channels. The concept that surface chemistry at the (sub)nanometer scale dictates water and proton diffusivity invokes a new design principle for PEMs. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Causes and implications of suppressed vesiculation and crystallization in phenocryst embayments

NASA Astrophysics Data System (ADS)

Cashman, K. V.; Rust, A.

2016-12-01

Recent studies of crystal-hosted melt embayments have modeled water diffusion to estimate rates of magma ascent. Uncertainties in these calculations have been linked primarily to the assumed initial pressure. None of these studies, however, have addressed the conditions under which crystal-hosted clear glass channels form in samples dominated by crystal- and bubble-rich groundmass. Embayments are common in phenocrysts from the 1974 basaltic eruption of Fuego volcano. They are hosted by both plagioclase and olivine phenocrysts where rapid and spatially heterogeneous growth creates a local melt channel. Embayment shapes differ in the two phases, however, depending on the characteristic rapid growth morphologies. Embayment channels are typically 20-50 µm wide and may reach 100-200 µm in length. Interestingly, these length scales are similar to those of melt embayments in plagioclase within the dacitic Mount St. Helens. We suggest that these characteristic length scales are key to embayment preservation as clear glass. We explore two hypotheses: (1) that the space constraints of the embayment inhibit bubble nucleation and growth, or (2) that rapid decompression-driven crystal growth on all sides of the melt channel temporarily increases the melt temperature and water content (and therefore element diffusivity) above ambient. Support for the second hypothesis - that diffusion out of the melt channels is energetically more favorable than nucleation of new bubble and crystal phases - is suggested by observed diffusion profiles of melt components within the embayments. Understanding the origin of melt channels has important implications for diffusion-based studies of magma decompression. First, if the embayments are formed by rapid, syn-eruptive crystal growth, then the effective diffusion length scale must increase with time. Second, if local and temporary heating increase elemental diffusion rates, then characteristic diffusion time scales will be overestimated. By extension, we also note that similar conditions may characterize rapid growth of skeletal and hopper crystals.

Observed and Simulated Eddy Diffusivity Upstream of the Drake Passage

NASA Astrophysics Data System (ADS)

Tulloch, R.; Ferrari, R. M.; Marshall, J.

2012-12-01

Estimates of eddy diffusivity in the Southern Ocean are poorly constrained due to lack of observations. We compare the first direct estimate of isopycnal eddy diffusivity upstream of the Drake Passage (from Ledwell et al. 2011) with a numerical simulation. The estimate is computed from a point tracer release as part of the Diapycnal and Isopycnal Mixing Experiment in the Southern Ocean (DIMES). We find that the observational diffusivity estimate of about 500m^2/s at 1500m depth is close to that computed in a data-constrained, 1/20th of a degree simulation of the Drake Passage region. This tracer estimate also agrees with Lagrangian float calculations in the model. The role of mean flow suppression of eddy diffusivity at shallower depths will also be discussed.

Meridional overturning and large-scale circulation of the Indian Ocean

NASA Astrophysics Data System (ADS)

Ganachaud, Alexandre; Wunsch, Carl; Marotzke, Jochem; Toole, John

2000-11-01

The large scale Indian Ocean circulation is estimated from a global hydrographic inverse geostrophic box model with a focus on the meridional overturning circulation (MOC). The global model is based on selected recent World Ocean Circulation Experiment (WOCE) sections which in the Indian Basin consist of zonal sections at 32°S, 20°S and 8°S, and a section between Bali and Australia from the Java-Australia Dynamic Experiment (JADE). The circulation is required to conserve mass, salinity, heat, silica and "PO" (170PO4+O2). Near-conservation is imposed within layers bounded by neutral surfaces, while permitting advective and diffusive exchanges between the layers. Conceptually, the derived circulation is an estimate of the average circulation for the period 1987-1995. A deep inflow into the Indian Basin of 11±4 Sv is found, which is in the lower range of previous estimates, but consistent with conservation requirements and the global data set. The Indonesian Throughflow (ITF) is estimated at 15±5 Sv. The flow in the Mozambique Channel is of the same magnitude, implying a weak net flow between Madagascar and Australia. A net evaporation of -0.6±0.4 Sv is found between 32°S and 8°S, consistent with independent estimates. No net heat gain is found over the Indian Basin (0.1 ± 0.2PW north of 32°S) as a consequence of the large warm water influx from the ITF. Through the use of anomaly equations, the average dianeutral upwelling and diffusion between the sections are required and resolved, with values in the range 1-3×10-5 cm s-1 for the upwelling and 2-10 cm2 s-1 for the diffusivity.

Simulations on the influence of myelin water in diffusion-weighted imaging

NASA Astrophysics Data System (ADS)

Harkins, K. D.; Does, M. D.

2016-07-01

While myelinated axons present an important barrier to water diffusion, many models used to interpret DWI signal neglect other potential influences of myelin. In this work, Monte Carlo simulations were used to test the sensitivity of DWI results to the diffusive properties of water within myelin. Within these simulations, the apparent diffusion coefficient (D app) varied slowly over several orders of magnitude of the coefficient of myelin water diffusion (D m), but exhibited important differences compared to D app values simulated that neglect D m (=0). Compared to D app, the apparent diffusion kurtosis (K app) was generally more sensitive to D m. Simulations also tested the sensitivity of D app and K app to the amount of myelin present. Unique variations in D app and K app caused by differences in the myelin volume fraction were diminished when myelin water diffusion was included. Also, expected trends in D app and K app with experimental echo time were reduced or inverted when accounting for myelin water diffusion, and these reduced/inverted trends were seen experimentally in ex vivo rat brain DWI experiments. In general, myelin water has the potential to subtly influence DWI results and bias models of DWI that neglect these components of white matter.

Simulations on the influence of myelin water in diffusion-weighted imaging.

PubMed

Harkins, K D; Does, M D

2016-07-07

While myelinated axons present an important barrier to water diffusion, many models used to interpret DWI signal neglect other potential influences of myelin. In this work, Monte Carlo simulations were used to test the sensitivity of DWI results to the diffusive properties of water within myelin. Within these simulations, the apparent diffusion coefficient (D app) varied slowly over several orders of magnitude of the coefficient of myelin water diffusion (D m), but exhibited important differences compared to D app values simulated that neglect D m (=0). Compared to D app, the apparent diffusion kurtosis (K app) was generally more sensitive to D m. Simulations also tested the sensitivity of D app and K app to the amount of myelin present. Unique variations in D app and K app caused by differences in the myelin volume fraction were diminished when myelin water diffusion was included. Also, expected trends in D app and K app with experimental echo time were reduced or inverted when accounting for myelin water diffusion, and these reduced/inverted trends were seen experimentally in ex vivo rat brain DWI experiments. In general, myelin water has the potential to subtly influence DWI results and bias models of DWI that neglect these components of white matter.

Hyper-mobility of water around actin filaments revealed using pulse-field gradient spin-echo {sup 1}H NMR and fluorescence spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wazawa, Tetsuichi; CREST, JST, 4-1-8, Honcho, Kawaguchi, Saitama 332-0012; Sagawa, Takashi

2011-01-28

Research highlights: {yields} Translationally hyper-mobile water has been detected around actin filaments. {yields} Translationally hyper-mobile water is formed upon polymerization of actin. {yields} Low water viscosity was found around F-actin using fluorescence anisotropy. {yields} Formation of hyper-mobile water may explain endothermic actin polymerization. -- Abstract: This paper reports that water molecules around F-actin, a polymerized form of actin, are more mobile than those around G-actin or in bulk water. A measurement using pulse-field gradient spin-echo {sup 1}H NMR showed that the self-diffusion coefficient of water in aqueous F-actin solution increased with actin concentration by {approx}5%, whereas that in G-actin solutionmore » was close to that of pure water. This indicates that an F-actin/water interaction is responsible for the high self-diffusion of water. The local viscosity around actin was also investigated by fluorescence measurements of Cy3, a fluorescent dye, conjugated to Cys 374 of actin. The steady-state fluorescence anisotropy of Cy3 attached to F-actin was 0.270, which was lower than that for G-actin, 0.334. Taking into account the fluorescence lifetimes of the Cy3 bound to actin, their rotational correlation times were estimated to be 3.8 and 9.1 ns for F- and G-actin, respectively. This indicates that Cy3 bound to F-actin rotates more freely than that bound to G-actin, and therefore the local water viscosity is lower around F-actin than around G-actin.« less

Atomistic modeling of water diffusion in hydrolytic biomaterials.

PubMed

Gautieri, Alfonso; Mezzanzanica, Andrea; Motta, Alberto; Redealli, Alberto; Vesentini, Simone

2012-04-01

One of the most promising applications of hydrolytically degrading biomaterials is their use as drug release carriers. These uses, however, require that the degradation and diffusion of drug are reliably predicted, which is complex to achieve through present experimental methods. Atomistic modeling can help in the knowledge-based design of degrading biomaterials with tuned drug delivery properties, giving insights on the small molecules diffusivity at intermediate states of the degradation process. We present here an atomistic-based approach to investigate the diffusion of water (through which hydrolytic degradation occurs) in degrading bulk models of poly(lactic acid) or PLA. We determine the water diffusion coefficient for different swelling states of the polymeric matrix (from almost dry to pure water) and for different degrees of degradation. We show that water diffusivity is highly influenced by the swelling degree, while little or not influenced by the degradation state. This approach, giving water diffusivity for different states of the matrix, can be combined with diffusion-reaction analytical methods in order to predict the degradation path on longer time scales. Furthermore, atomistic approach can be used to investigate diffusion of other relevant small molecules, eventually leading to the a priori knowledge of degradable biomaterials transport properties, helping the design of the drug delivery systems.

Abatement vs. treatment for efficient diffuse source water pollution management in terrestrial-marine systems.

PubMed

Roebeling, P C; Cunha, M C; Arroja, L; van Grieken, M E

2015-01-01

Marine ecosystems are affected by water pollution originating from coastal catchments. The delivery of water pollutants can be reduced through water pollution abatement as well as water pollution treatment. Hence, sustainable economic development of coastal regions requires balancing of the marginal costs from water pollution abatement and/or treatment and the associated marginal benefits from marine resource appreciation. Water pollution delivery reduction costs are, however, not equal across abatement and treatment options. In this paper, an optimal control approach is developed and applied to explore welfare maximizing rates of water pollution abatement and/or treatment for efficient diffuse source water pollution management in terrestrial-marine systems. For the case of diffuse source dissolved inorganic nitrogen water pollution in the Tully-Murray region, Queensland, Australia, (agricultural) water pollution abatement cost, (wetland) water pollution treatment cost and marine benefit functions are determined to explore welfare maximizing rates of water pollution abatement and/or treatment. Considering partial (wetland) treatment costs and positive water quality improvement benefits, results show that welfare gains can be obtained, primarily, through diffuse source water pollution abatement (improved agricultural management practices) and, to a minor extent, through diffuse source water pollution treatment (wetland restoration).

The estimation method on diffusion spot energy concentration of the detection system

NASA Astrophysics Data System (ADS)

Gao, Wei; Song, Zongxi; Liu, Feng; Dan, Lijun; Sun, Zhonghan; Du, Yunfei

2016-09-01

We propose a method to estimate the diffusion spot energy of the detection system. We do outdoor observation experiments in Xinglong Observatory, by using a detection system which diffusion spot energy concentration is estimated (the correlation coefficient is approximate 0.9926).The aperture of system is 300mm and limiting magnitude of system is 14.15Mv. Observation experiments show that the highest detecting magnitude of estimated system is 13.96Mv, and the average detecting magnitude of estimated system is about 13.5Mv. The results indicate that this method can be used to evaluate the energy diffusion spot concentration level of detection system efficiently.

Predicting the Kinetics of Ice Recrystallization in Aqueous Sugar Solutions

PubMed Central

2018-01-01

The quality of stored frozen products such as foods and biomaterials generally degrades in time due to the growth of large ice crystals by recrystallization. While there is ample experimental evidence that recrystallization within such products (or model systems thereof) is often dominated by diffusion-limited Ostwald ripening, the application of Ostwald-ripening theories to predict measured recrystallization rates has only met with limited success. For a model system of polycrystalline ice within an aqueous solution of sugars, we here show recrystallization rates can be predicted on the basis of Ostwald ripening theory, provided (1) the theory accounts for the fact the solution can be nonideal, nondilute and of different density than the crystals, (2) the effect of ice-phase volume fraction on the diffusional flux of water between crystals is accurately described, and (3) all relevant material properties (involving binary Fick diffusion coefficients, the thermodynamic factor of the solution, and the surface energy of ice) are carefully estimated. To enable calculation of material properties, we derive an alternative formulation of Ostwald ripening in terms of the Maxwell–Stefan instead of the Fick approach to diffusion. First, this leads to a cancellation of the thermodynamic factor (a measure for the nonideality of a solution), which is a notoriously difficult property to obtain. Second, we show that Maxwell–Stefan diffusion coefficients can to a reasonable approximation be related to self-diffusion coefficients, which are relatively easy to measure or predict in comparison to Fick diffusion coefficients. Our approach is validated for a binary system of water and sucrose, for which we show predicted recrystallization rates of ice compare well to experimental results, with relative deviations of at most a factor of 2. PMID:29651228

String-like collective motion and diffusion in the interfacial region of ice

NASA Astrophysics Data System (ADS)

Wang, Xinyi; Tong, Xuhang; Zhang, Hao; Douglas, Jack F.

2017-11-01

We investigate collective molecular motion and the self-diffusion coefficient Ds of water molecules in the mobile interfacial layer of the secondary prismatic plane (11 2 ¯ 0 ) of hexagonal ice by molecular dynamics simulation based on the TIP4P/2005 water potential and a metrology of collective motion drawn from the field of glass-forming liquids. The width ξ of the mobile interfacial layer varies from a monolayer to a few nm as the temperature is increased towards the melting temperature Tm, in accordance with recent simulations and many experimental studies, although different experimental methods have differed in their precise estimates of the thickness of this layer. We also find that the dynamics within this mobile interfacial ice layer is "dynamically heterogeneous" in a fashion that has many features in common with glass-forming liquids and the interfacial dynamics of crystalline Ni over the same reduced temperature range, 2/3 < T/Tm < 1. In addition to exhibiting non-Gaussian diffusive transport, decoupling between mass diffusion and the structural relaxation time, and stretched exponential relaxation, we find string-like collective molecular exchange motion in the interfacial zone within the ice interfacial layer and colored noise fluctuations in the mean square molecular atomic displacement 〈u2〉 after a "caging time" of 1 ps, i.e., the Debye-Waller factor. However, while the heterogeneous dynamics of ice is clearly similar in many ways to molecular and colloidal glass-forming materials, we find distinct trends between the diffusion coefficient activation energy Ea for diffusion Ds and the interfacial width ξ from the scale of collective string-like motion L than those found in glass-forming liquids.

Predicting the Kinetics of Ice Recrystallization in Aqueous Sugar Solutions.

PubMed

van Westen, Thijs; Groot, Robert D

2018-04-04

The quality of stored frozen products such as foods and biomaterials generally degrades in time due to the growth of large ice crystals by recrystallization. While there is ample experimental evidence that recrystallization within such products (or model systems thereof) is often dominated by diffusion-limited Ostwald ripening, the application of Ostwald-ripening theories to predict measured recrystallization rates has only met with limited success. For a model system of polycrystalline ice within an aqueous solution of sugars, we here show recrystallization rates can be predicted on the basis of Ostwald ripening theory, provided (1) the theory accounts for the fact the solution can be nonideal, nondilute and of different density than the crystals, (2) the effect of ice-phase volume fraction on the diffusional flux of water between crystals is accurately described, and (3) all relevant material properties (involving binary Fick diffusion coefficients, the thermodynamic factor of the solution, and the surface energy of ice) are carefully estimated. To enable calculation of material properties, we derive an alternative formulation of Ostwald ripening in terms of the Maxwell-Stefan instead of the Fick approach to diffusion. First, this leads to a cancellation of the thermodynamic factor (a measure for the nonideality of a solution), which is a notoriously difficult property to obtain. Second, we show that Maxwell-Stefan diffusion coefficients can to a reasonable approximation be related to self-diffusion coefficients, which are relatively easy to measure or predict in comparison to Fick diffusion coefficients. Our approach is validated for a binary system of water and sucrose, for which we show predicted recrystallization rates of ice compare well to experimental results, with relative deviations of at most a factor of 2.

Using Diurnal Temperature Signals to Infer Vertical Groundwater-Surface Water Exchange.

PubMed

Irvine, Dylan J; Briggs, Martin A; Lautz, Laura K; Gordon, Ryan P; McKenzie, Jeffrey M; Cartwright, Ian

2017-01-01

Heat is a powerful tracer to quantify fluid exchange between surface water and groundwater. Temperature time series can be used to estimate pore water fluid flux, and techniques can be employed to extend these estimates to produce detailed plan-view flux maps. Key advantages of heat tracing include cost-effective sensors and ease of data collection and interpretation, without the need for expensive and time-consuming laboratory analyses or induced tracers. While the collection of temperature data in saturated sediments is relatively straightforward, several factors influence the reliability of flux estimates that are based on time series analysis (diurnal signals) of recorded temperatures. Sensor resolution and deployment are particularly important in obtaining robust flux estimates in upwelling conditions. Also, processing temperature time series data involves a sequence of complex steps, including filtering temperature signals, selection of appropriate thermal parameters, and selection of the optimal analytical solution for modeling. This review provides a synthesis of heat tracing using diurnal temperature oscillations, including details on optimal sensor selection and deployment, data processing, model parameterization, and an overview of computing tools available. Recent advances in diurnal temperature methods also provide the opportunity to determine local saturated thermal diffusivity, which can improve the accuracy of fluid flux modeling and sensor spacing, which is related to streambed scour and deposition. These parameters can also be used to determine the reliability of flux estimates from the use of heat as a tracer. © 2016, National Ground Water Association.

Optimal estimation of diffusion coefficients from single-particle trajectories

NASA Astrophysics Data System (ADS)

Vestergaard, Christian L.; Blainey, Paul C.; Flyvbjerg, Henrik

2014-02-01

How does one optimally determine the diffusion coefficient of a diffusing particle from a single-time-lapse recorded trajectory of the particle? We answer this question with an explicit, unbiased, and practically optimal covariance-based estimator (CVE). This estimator is regression-free and is far superior to commonly used methods based on measured mean squared displacements. In experimentally relevant parameter ranges, it also outperforms the analytically intractable and computationally more demanding maximum likelihood estimator (MLE). For the case of diffusion on a flexible and fluctuating substrate, the CVE is biased by substrate motion. However, given some long time series and a substrate under some tension, an extended MLE can separate particle diffusion on the substrate from substrate motion in the laboratory frame. This provides benchmarks that allow removal of bias caused by substrate fluctuations in CVE. The resulting unbiased CVE is optimal also for short time series on a fluctuating substrate. We have applied our estimators to human 8-oxoguanine DNA glycolase proteins diffusing on flow-stretched DNA, a fluctuating substrate, and found that diffusion coefficients are severely overestimated if substrate fluctuations are not accounted for.

Spatial patterns of mixing in the Solomon Sea

NASA Astrophysics Data System (ADS)

Alberty, M. S.; Sprintall, J.; MacKinnon, J.; Ganachaud, A.; Cravatte, S.; Eldin, G.; Germineaud, C.; Melet, A.

2017-05-01

The Solomon Sea is a marginal sea in the southwest Pacific that connects subtropical and equatorial circulation, constricting transport of South Pacific Subtropical Mode Water and Antarctic Intermediate Water through its deep, narrow channels. Marginal sea topography inhibits internal waves from propagating out and into the open ocean, making these regions hot spots for energy dissipation and mixing. Data from two hydrographic cruises and from Argo profiles are employed to indirectly infer mixing from observations for the first time in the Solomon Sea. Thorpe and finescale methods indirectly estimate the rate of dissipation of kinetic energy (ɛ) and indicate that it is maximum in the surface and thermocline layers and decreases by 2-3 orders of magnitude by 2000 m depth. Estimates of diapycnal diffusivity from the observations and a simple diffusive model agree in magnitude but have different depth structures, likely reflecting the combined influence of both diapycnal mixing and isopycnal stirring. Spatial variability of ɛ is large, spanning at least 2 orders of magnitude within isopycnal layers. Seasonal variability of ɛ reflects regional monsoonal changes in large-scale oceanic and atmospheric conditions with ɛ increased in July and decreased in March. Finally, tide power input and topographic roughness are well correlated with mean spatial patterns of mixing within intermediate and deep isopycnals but are not clearly correlated with thermocline mixing patterns.

Communication: Modeling of concentration dependent water diffusivity in ionic solutions: Role of intermolecular charge transfer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yao, Yi; Berkowitz, Max L., E-mail: maxb@unc.edu, E-mail: ykanai@unc.edu; Kanai, Yosuke, E-mail: maxb@unc.edu, E-mail: ykanai@unc.edu

2015-12-28

The translational diffusivity of water in solutions of alkali halide salts depends on the identity of ions, exhibiting dramatically different behavior even in solutions of similar salts of NaCl and KCl. The water diffusion coefficient decreases as the salt concentration increases in NaCl. Yet, in KCl solution, it slightly increases and remains above bulk value as salt concentration increases. Previous classical molecular dynamics simulations have failed to describe this important behavior even when polarizable models were used. Here, we show that inclusion of dynamical charge transfer among water molecules produces results in a quantitative agreement with experiments. Our results indicatemore » that the concentration-dependent diffusivity reflects the importance of many-body effects among the water molecules in aqueous ionic solutions. Comparison with quantum mechanical calculations shows that a heterogeneous and extended distribution of charges on water molecules around the ions due to ion-water and also water-water charge transfer plays a very important role in controlling water diffusivity. Explicit inclusion of the charge transfer allows us to model accurately the difference in the concentration-dependent water diffusivity between Na{sup +} and K{sup +} ions in simulations, and it is likely to impact modeling of a wide range of systems for medical and technological applications.« less

Abiotic control of underwater light in a drinking water reservoir: Photon budget analysis and implications for water quality monitoring

NASA Astrophysics Data System (ADS)

Watanabe, Shohei; Laurion, Isabelle; Markager, Stiig; Vincent, Warwick F.

2015-08-01

In optically complex inland waters, the underwater attenuation of photosynthetically active radiation (PAR) is controlled by a variable combination of absorption and scattering components of the lake or river water. Here we applied a photon budget approach to identify the main optical components affecting PAR attenuation in Lake St. Charles, a drinking water reservoir for Québec City, Canada. This analysis showed the dominant role of colored dissolved organic matter (CDOM) absorption (average of 44% of total absorption during the sampling period), but with large changes over depth in the absolute and relative contribution of the individual absorption components (water, nonalgal particulates, phytoplankton and CDOM) to PAR attenuation. This pronounced vertical variation occurred because of the large spectral changes in the light field with depth, and it strongly affected the average in situ diffuse absorption coefficients in the water column. For example, the diffuse absorption coefficient for pure-water in the ambient light field was 10-fold higher than the value previously measured in the blue open ocean and erroneously applied to lakes and coastal waters. Photon absorption budget calculations for a range of limnological conditions confirmed that phytoplankton had little direct influence on underwater light, even at chlorophyll a values above those observed during harmful algal blooms in the lake. These results imply that traditional measures of water quality such as Secchi depth and radiometric transparency do not provide a meaningful estimate of the biological state of the water column in CDOM-colored lakes and reservoirs.

Examining the mean vertical attenuation of scalar quantum irradiance (PAR) over the Louisiana-Texas shelf (northern Gulf of Mexico)

NASA Astrophysics Data System (ADS)

Lugo-Fernández, A.; Gravois, M.; Green, R. E.; Montgomery, T.

2012-04-01

We examined freshwater and ocean circulation effects on the distribution of vertical quantum diffuse attenuation coefficients (Kq0) of photosyntheticaly available radiation (PAR) in waters of the northern Gulf of Mexico's Louisiana-Texas shelf. Mean Kq0 coefficients were estimated from 509 vertical profiles of PAR collected during 10 cruises spanning 30 months (1992-1994). Vertical profiles of density revealed that the shelf waters are divided into two periods: a stratified period with an upper layer 10 m thick of turbid waters (0.06≤Kq0≤1.18 m-1) and a lower layer of more transparent waters (0.01≤Kq0≤0.49 m-1). The second or non-stratified period consists of a homogenous layer ˜55 m thick and less turbid waters (0.03≤Kq0≤1.00 m-1). Horizontally, the distribution of Kq0 reveals nearshore coastal or case 2 waters followed by offshore oceanic or case 1 waters that separate near the 70-m isobath regardless of time and place. The Kq0 distribution reflects the freshwater influx from the Mississippi and Atchafalaya Rivers which causes a turbid surface trapped river plume, the shelf wind-driven circulation, and ensuing mixing. To investigate Kq0 we used two regression models involving salinity, suspended particulate matter (SPM), chlorophyll-a (Chl), and water depth. The best statistical model explained 57% to 85% of the observed Kq0 variability and involved the reciprocal of water depth, salinity, and SPM. However, a more bio-optically relevant model involving salinity, SPM, and Chl, explained only 32% to 64% of the observed Kq0 variability. Estimates of Kq0 for the upper layer indicate compensation depths of 30-92 m in waters deeper than 70 m which help account for the presence of coral communities on submerged banks near the shelf edge. The observed temporal and spatial distribution of Kq0 agrees qualitatively with that of satellite-derived values of the diffuse attenuation coefficient, Kd(4 9 0) over this shelf.

Volatile emissions and gas geochemistry of Hot Spring Basin, Yellowstone National Park, USA

USGS Publications Warehouse

Werner, C.; Hurwitz, S.; Evans, William C.; Lowenstern, J. B.; Bergfeld, D.; Heasler, H.; Jaworowski, C.; Hunt, A.

2008-01-01

We characterize and quantify volatile emissions at Hot Spring Basin (HSB), a large acid-sulfate region that lies just outside the northeastern edge of the 640??ka Yellowstone Caldera. Relative to other thermal areas in Yellowstone, HSB gases are rich in He and H2, and mildly enriched in CH4 and H2S. Gas compositions are consistent with boiling directly off a deep geothermal liquid at depth as it migrates toward the surface. This fluid, and the gases evolved from it, carries geochemical signatures of magmatic volatiles and water-rock reactions with multiple crustal sources, including limestones or quartz-rich sediments with low K/U (or 40*Ar/4*He). Variations in gas chemistry across the region reflect reservoir heterogeneity and variable degrees of boiling. Gas-geothermometer temperatures approach 300????C and suggest that the reservoir feeding HSB is one of the hottest at Yellowstone. Diffuse CO2 flux in the western basin of HSB, as measured by accumulation-chamber methods, is similar in magnitude to other acid-sulfate areas of Yellowstone and is well correlated to shallow soil temperatures. The extrapolation of diffuse CO2 fluxes across all the thermal/altered area suggests that 410 ?? 140??t d- 1 CO2 are emitted at HSB (vent emissions not included). Diffuse fluxes of H2S were measured in Yellowstone for the first time and likely exceed 2.4??t d- 1 at HSB. Comparing estimates of the total estimated diffuse H2S emission to the amount of sulfur as SO42- in streams indicates ~ 50% of the original H2S in the gas emission is lost into shallow groundwater, precipitated as native sulfur, or vented through fumaroles. We estimate the heat output of HSB as ~ 140-370??MW using CO2 as a tracer for steam condensate, but not including the contribution from fumaroles and hydrothermal vents. Overall, the diffuse heat and volatile fluxes of HSB are as great as some active volcanoes, but they are a small fraction (1-3% for CO2, 2-8% for heat) of that estimated for the entire Yellowstone system.

Spatial variability of the Arctic Ocean's double-diffusive staircase

NASA Astrophysics Data System (ADS)

Shibley, N. C.; Timmermans, M.-L.; Carpenter, J. R.; Toole, J. M.

2017-02-01

The Arctic Ocean thermohaline stratification frequently exhibits a staircase structure overlying the Atlantic Water Layer that can be attributed to the diffusive form of double-diffusive convection. The staircase consists of multiple layers of O(1) m in thickness separated by sharp interfaces, across which temperature and salinity change abruptly. Through a detailed analysis of Ice-Tethered Profiler measurements from 2004 to 2013, the double-diffusive staircase structure is characterized across the entire Arctic Ocean. We demonstrate how the large-scale Arctic Ocean circulation influences the small-scale staircase properties. These staircase properties (layer thicknesses and temperature and salinity jumps across interfaces) are examined in relation to a bulk vertical density ratio spanning the staircase stratification. We show that the Lomonosov Ridge serves as an approximate boundary between regions of low density ratio (approximately 3-4) on the Eurasian side and higher density ratio (approximately 6-7) on the Canadian side. We find that the Eurasian Basin staircase is characterized by fewer, thinner layers than that in the Canadian Basin, although the margins of all basins are characterized by relatively thin layers and the absence of a well-defined staircase. A double-diffusive 4/3 flux law parametrization is used to estimate vertical heat fluxes in the Canadian Basin to be O(0.1) W m-2. It is shown that the 4/3 flux law may not be an appropriate representation of heat fluxes through the Eurasian Basin staircase. Here molecular heat fluxes are estimated to be between O(0.01) and O(0.1) W m-2. However, many uncertainties remain about the exact nature of these fluxes.

Experimental generation and computational modeling of intracellular pH gradients in cardiac myocytes.

PubMed

Swietach, Pawel; Leem, Chae-Hun; Spitzer, Kenneth W; Vaughan-Jones, Richard D

2005-04-01

It is often assumed that pH(i) is spatially uniform within cells. A double-barreled microperfusion system was used to apply solutions of weak acid (acetic acid, CO(2)) or base (ammonia) to localized regions of an isolated ventricular myocyte (guinea pig). A stable, longitudinal pH(i) gradient (up to 1 pH(i) unit) was observed (using confocal imaging of SNARF-1 fluorescence). Changing the fractional exposure of the cell to weak acid/base altered the gradient, as did changing the concentration and type of weak acid/base applied. A diffusion-reaction computational model accurately simulated this behavior of pH(i). The model assumes that H(i)(+) movement occurs via diffusive shuttling on mobile buffers, with little free H(+) diffusion. The average diffusion constant for mobile buffer was estimated as 33 x 10(-7) cm(2)/s, consistent with an apparent H(i)(+) diffusion coefficient, D(H)(app), of 14.4 x 10(-7) cm(2)/s (at pH(i) 7.07), a value two orders of magnitude lower than for H(+) ions in water but similar to that estimated recently from local acid injection via a cell-attached glass micropipette. We conclude that, because H(i)(+) mobility is so low, an extracellular concentration gradient of permeant weak acid readily induces pH(i) nonuniformity. Similar concentration gradients for weak acid (e.g., CO(2)) occur across border zones during regional myocardial ischemia, raising the possibility of steep pH(i) gradients within the heart under some pathophysiological conditions.

Geochemical impacts of waste disposal on the abyssal seafloor

NASA Astrophysics Data System (ADS)

Jahnke, Richard A.

1998-05-01

The response of pore water oxygen, nitrate, sulfate, sulfide, ammonium and methane and particulate organic carbon distributions to the input of 8.5 million m 3 (3.8×10 12 g) of organic-rich waste materials is simulated. The deposit is assumed to be conical with a maximum thickness of approximately 20 m. Remineralization reactions within the deposit rapidly deplete any initially available pore water oxidants such as oxygen, nitrate and sulfate, and are subsequently dominated by fermentation reactions. Diffusion downward of reduced metabolites, sulfide, ammonium and methane, depletes the available oxidants in the pore waters below the waste pile, increasing the thickness of the anoxic layer. While the impacted region is limited to essentially the deposition site, recovery of the pore waters is estimated to be >10 4 years. The overall computational results are corroborated by the pore water distributions observed at turbidite boundaries. Numerous uncertainties in the parameterizations limit the overall accuracy of the calculations presented. The most significant of these are: (1) A quantitatively accurate assessment of the remineralization rate of the deposited organic matter including its rate of inoculation by abyssal microorganisms; (2) a detailed assessment of potential non-diffusive pore water transport processes including advection due to compaction and buoyancy-driven flows and enhanced exchange due to macrobenthic irrigation activities and (3) an assessment of the potential alteration of pore space and methane reactivity due to gas hydrate formation.

Diffusion properties of NAA in human corpus callosum as studied with diffusion tensor spectroscopy.

PubMed

Upadhyay, Jaymin; Hallock, Kevin; Erb, Kelley; Kim, Dae-Shik; Ronen, Itamar

2007-11-01

In diffusion tensor imaging (DTI) the anisotropic movement of water is exploited to characterize microstructure. One confounding issue of DTI is the presence of intra- and extracellular components contributing to the measured diffusivity. This causes an ambiguity in determining the underlying cause of diffusion properties, particularly the fractional anisotropy (FA). In this study an intracellular constituent, N-acetyl aspartate (NAA), was used to probe intracellular diffusion, while water molecules were used to probe the combined intra- and extracellular diffusion. NAA and water diffusion measurements were made in anterior and medial corpus callosum (CC) regions, which are referred to as R1 and R2, respectively. FA(NAA) was found to be greater than FA(Water) in both CC regions, thus indicating a higher degree of anisotropy within the intracellular space in comparison to the combined intra- and extracellular spaces. A decreasing trend in the FA of NAA and water was observed between R1 and R2, while the radial diffusivity (RD) for both molecules increased. The increase in RD(NAA) is particularly significant, thus explaining the more significant decrease in FA(NAA) between the two regions. It is suggested that diffusion tensor spectroscopy of NAA can potentially be used to further characterize microscopic anatomic organization in white matter. Copyright 2007 Wiley-Liss, Inc.

The Transition of Benthic Nutrient Sources after Planned Levee Breaches Adjacent to Upper Klamath and Agency Lakes, Oregon

USGS Publications Warehouse

Kuwabara, James S.; Topping, Brent R.; Carter, James L.; Parcheso, Francis; Cameron, Jason M.; Asbill, Jessica R.; Fend, Steven V.; Duff, John H.; Engelstad, Anita C.

2010-01-01

Four sampling trips were coordinated after planned levee breaches that hydrologically reconnected both Upper Klamath Lake and Agency Lake, Oregon, to adjacent wetlands. Sets of nonmetallic pore-water profilers were deployed during these trips in November 2007, June 2008, May 2009, and July 2009. Deployments temporally spanned the annual cyanophyte bloom of Aphanizomenon flos-aquae (AFA) and spatially involved three lake and four wetland sites. Profilers, typically deployed in triplicate at each lake or wetland site, provided high-resolution (centimeter-scale) estimates of the vertical concentration gradients for diffusive-flux determinations. Estimates based on molecular diffusion may underestimate benthic flux because solute transport across the sediment-water interface can be enhanced by processes including bioturbation, bioirrigation and groundwater advection. Water-column and benthic samples were also collected to help interpret spatial and temporal trends in diffusive-flux estimates. Data from these samples complement taxonomic and geochemical analyses of bottom-sediments taken from Upper Klamath Lake (UKL) in prior studies. This ongoing study provides information necessary for developing process-interdependent solute-transport models for the watershed (that is, models integrating physical, geochemical, and biological processes) and supports efforts to evaluate remediation or load-allocation strategies. To augment studies funded by the U.S. Bureau of Reclamation (USBR), the Department of the Interior supported an additional full deployment of pore-water profilers in November 2007 and July 2009, immediately following the levee breaches and after the crash of the annual summer AFA bloom. As observed consistently since 2006, benthic flux of 0.2-micron filtered, soluble reactive phosphorus (that is, biologically available phosphorus, primarily as orthophosphate; SRP) was consistently positive (that is, out of the sediment into the overlying water column) and ranged from a negligible value (-0.19?0.91 milligrams per square meter per day; mg m-2 d-1) within wetlands of the Upper Klamath National Wildlife Refuge to 74?48 mg m-2 d-1 at the newly restored wetland site removed from the levee breach (TNC1); both observed in May 2009 before the annual AFA bloom. When areally averaged (13 km2 for the newly restored wetlands), an SRP flux to the overlying water column is determined of approximately 87,000 kilograms (kg) over the 3-month AFA bloom season that exceeds the magnitude of riverine inputs (42,000 kg for the season). Elevated SRP benthic flux at TNC1 relative to all other lake and wetland sites (including TNC2 near the breached levee) in 2009 suggests that the restored wetlands, at least chemically, remain in a transition period after engineered blasts on October 30, 2007, restored hydrologic connectivity between lake and wetland environments. As reported in previous lake studies, ammonium fluxes to the water column were consistently positive, with the exception of two measurements at the restored wetland sites (TNC1 and TNC2) immediately following the levee breaches in November 2007. The flux of ammonia, particularly at elevated pH in the overlying water column, has toxicological implications for endangered fish populations in both lake and wetland environments. For dissolved nitrate, with the exception of a single positive flux measurement at TNC1 in June 2008 (0.16?0.02 mg m-2 d-1), consistently negative (consumed by the sediment) or undetectable nitrate-flux values were observed (-21?12 mg m-2 d-1 to undetectable fluxes due to concentrations for dissolved nitrate <0.03 milligrams per liter (mg L-1) in both porewaters and overlying waters near the sediment-water interface). Such negative fluxes for dissolved nitrate are typical of microbial transformations, such as dinitrification (dissimilatory nitrate reduction), that benthically consume nitrate from the water column. The diffusive-flux measurements reported herei

Imaging of high-amylose starch tablets. 3. Initial diffusion and temperature effects.

PubMed

Thérien-Aubin, Héloïse; Baille, Wilms E; Zhu, Xiao Xia; Marchessault, Robert H

2005-01-01

The penetration of water into cross-linked high amylose starch tablets was studied at different temperatures by nuclear magnetic resonance (NMR) imaging, which follows the changes occurring at the surface and inside the starch tablets during swelling. It was found that the swelling was anisotropic, whereas water diffusion was almost isotropic. The water proton image profiles at the initial stage of water penetration were used to calculate the initial diffusion coefficient. The swelling and water concentration gradients in this controlled release system show significant temperature dependence. Diffusion behavior changed from Fickian to Case II diffusion with increasing temperature. The observed phenomena are attributed to the gelatinization of starch and the pseudo-cross-linking effect of double helix formation.

Quantitative body DW-MRI biomarkers uncertainty estimation using unscented wild-bootstrap.

PubMed

Freiman, M; Voss, S D; Mulkern, R V; Perez-Rossello, J M; Warfield, S K

2011-01-01

We present a new method for the uncertainty estimation of diffusion parameters for quantitative body DW-MRI assessment. Diffusion parameters uncertainty estimation from DW-MRI is necessary for clinical applications that use these parameters to assess pathology. However, uncertainty estimation using traditional techniques requires repeated acquisitions, which is undesirable in routine clinical use. Model-based bootstrap techniques, for example, assume an underlying linear model for residuals rescaling and cannot be utilized directly for body diffusion parameters uncertainty estimation due to the non-linearity of the body diffusion model. To offset this limitation, our method uses the Unscented transform to compute the residuals rescaling parameters from the non-linear body diffusion model, and then applies the wild-bootstrap method to infer the body diffusion parameters uncertainty. Validation through phantom and human subject experiments shows that our method identify the regions with higher uncertainty in body DWI-MRI model parameters correctly with realtive error of -36% in the uncertainty values.

Estimating the Probability of a Diffusing Target Encountering a Stationary Sensor.

DTIC Science & Technology

1985-07-01

7 RD-R1577 6- 44 ESTIMATING THE PROBABILITY OF A DIFFUSING TARGET i/i ENCOUNTERING R STATIONARY SENSOR(U) NAVAL POSTGRADUATE U SCHOOL MONTEREY CA...8217,: *.:.; - -*.. ,’.-,:;;’.’.. ’,. ,. .*.’.- 4 6 6- ..- .-,,.. : .-.;.- -. NPS55-85-013 NAVAL POSTGRADUATE SCHOOL Monterey, California ESTIMATING THE PROBABILITY OF A DIFFUSING TARGET...PROBABILITY OF A DIFFUSING Technical TARGET ENCOUNTERING A STATIONARY SENSOR S. PERFORMING ORG. REPORT NUMBER 7. AUTHOR(@) S. CONTRACT OR GRANT NUMBER(a

Controlled drug release from hydrogels for contact lenses: Drug partitioning and diffusion.

PubMed

Pimenta, A F R; Ascenso, J; Fernandes, J C S; Colaço, R; Serro, A P; Saramago, B

2016-12-30

Optimization of drug delivery from drug loaded contact lenses assumes understanding the drug transport mechanisms through hydrogels which relies on the knowledge of drug partition and diffusion coefficients. We chose, as model systems, two materials used in contact lens, a poly-hydroxyethylmethacrylate (pHEMA) based hydrogel and a silicone based hydrogel, and three drugs with different sizes and charges: chlorhexidine, levofloxacin and diclofenac. Equilibrium partition coefficients were determined at different ionic strength and pH, using water (pH 5.6) and PBS (pH 7.4). The measured partition coefficients were related with the polymer volume fraction in the hydrogel, through the introduction of an enhancement factor following the approach developed by the group of C. J. Radke (Kotsmar et al., 2012; Liu et al., 2013). This factor may be decomposed in the product of three other factors E HS , E el and E ad which account for, respectively, hard-sphere size exclusion, electrostatic interactions, and specific solute adsorption. While E HS and E el are close to 1, E ad >1 in all cases suggesting strong specific interactions between the drugs and the hydrogels. Adsorption was maximal for chlorhexidine on the silicone based hydrogel, in water, due to strong hydrogen bonding. The effective diffusion coefficients, D e , were determined from the drug release profiles. Estimations of diffusion coefficients of the non-adsorbed solutes D=D e ×E ad allowed comparison with theories for solute diffusion in the absence of specific interaction with the polymeric membrane. Copyright © 2016 Elsevier B.V. All rights reserved.

Measuring Moisture Levels in Graphite Epoxy Composite Sandwich Structures

NASA Technical Reports Server (NTRS)

Nurge, Mark; Youngquist, Robert; Starr, Stanley

2011-01-01

Graphite epoxy composite (GEC) materials are used in the construction of rocket fairings, nose cones, interstage adapters, and heat shields due to their high strength and light weight. However, they absorb moisture depending on the environmental conditions they are exposed to prior to launch. Too much moisture absorption can become a problem when temperature and pressure changes experienced during launch cause the water to vaporize. The rapid state change of the water can result in structural failure of the material. In addition, heat and moisture combine to weaken GEC structures. Diffusion models that predict the total accumulated moisture content based on the environmental conditions are one accepted method of determining if the material strength has been reduced to an unacceptable level. However, there currently doesn t exist any field measurement technique to estimate the actual moisture content of a composite structure. A multi-layer diffusion model was constructed with Mathematica to predict moisture absorption and desorption from the GEC sandwich structure. This model is used in conjunction with relative humidity/temperature sensors both on the inside and outside of the material to determine the moisture levels in the structure. Because the core materials have much higher diffusivity than the face sheets, a single relative humidity measurement will accurately reflect the moisture levels in the core. When combined with an external relative humidity measurement, the model can be used to determine the moisture levels in the face sheets. Since diffusion is temperaturedependent, the temperature measurements are used to determine the diffusivity of the face sheets for the model computations.

Sucrose diffusion in aqueous solution

PubMed Central

Murray, Benjamin J.

2016-01-01

The diffusion of sugar in aqueous solution is important both in nature and in technological applications, yet measurements of diffusion coefficients at low water content are scarce. We report directly measured sucrose diffusion coefficients in aqueous solution. Our technique utilises a Raman isotope tracer method to monitor the diffusion of non-deuterated and deuterated sucrose across a boundary between the two aqueous solutions. At a water activity of 0.4 (equivalent to 90 wt% sucrose) at room temperature, the diffusion coefficient of sucrose was determined to be approximately four orders of magnitude smaller than that of water in the same material. Using literature viscosity data, we show that, although inappropriate for the prediction of water diffusion, the Stokes–Einstein equation works well for predicting sucrose diffusion under the conditions studied. As well as providing information of importance to the fundamental understanding of diffusion in binary solutions, these data have technological, pharmaceutical and medical implications, for example in cryopreservation. Moreover, in the atmosphere, slow organic diffusion may have important implications for aerosol growth, chemistry and evaporation, where processes may be limited by the inability of a molecule to diffuse between the bulk and the surface of a particle. PMID:27364512

Raman Spectroscopy of Isotopic Water Diffusion in Ultraviscous, Glassy, and Gel States in Aerosol by Use of Optical Tweezers.

PubMed

Davies, James F; Wilson, Kevin R

2016-02-16

The formation of ultraviscous, glassy, and amorphous gel states in aqueous aerosol following the loss of water results in nonequilibrium dynamics due to the extended time scales for diffusive mixing. Existing techniques for measuring water diffusion by isotopic exchange are limited by contact of samples with the substrate, and methods applied to infer diffusion coefficients from mass transport in levitated droplets requires analysis by complex coupled differential equations to derive diffusion coefficients. We present a new technique that combines contactless levitation with aerosol optical tweezers with isotopic exchange (D2O/H2O) to measure the water diffusion coefficient over a broad range (Dw ≈ 10(-12)-10(-17) m(2)·s(-1)) in viscous organic liquids (citric acid, sucrose, and shikimic acid) and inorganic gels (magnesium sulfate, MgSO4). For the organic liquids in binary and ternary mixtures, Dw depends on relative humidity and follows a simple compositional Vignes relationship. In MgSO4 droplets, water diffusivity decreases sharply with water activity and is consistent with predictions from percolation theory. These measurements show that, by combining micrometer-sized particle levitation (a contactless measurement with rapid mixing times) with an established probe of water diffusion, Dw can be simply and directly quantified for amorphous and glassy states that are inaccessible to existing methods.

Raman Spectroscopy of Isotopic Water Diffusion in Ultraviscous, Glassy, and Gel States in Aerosol by Use of Optical Tweezers

DOE PAGES

Davies, James F.; Wilson, Kevin R.

2016-01-11

The formation of ultraviscous, glassy, and amorphous gel states in aqueous aerosol following the loss of water results in nonequilibrium dynamics due to the extended time scales for diffusive mixing. Existing techniques for measuring water diffusion by isotopic exchange are limited by contact of samples with the substrate, and methods applied to infer diffusion coefficients from mass transport in levitated droplets requires analysis by complex coupled differential equations to derive diffusion coefficients. Here, we present a new technique that combines contactless levitation with aerosol optical tweezers with isotopic exchange (D 2O/H 2O) to measure the water diffusion coefficient over amore » broad range (D w ≈ 10 -12-10 -17 m 2s -1) in viscous organic liquids (citric acid, sucrose, and shikimic acid) and inorganic gels (magnesium sulfate, MgSO 4). For the organic liquids in binary and ternary mixtures, D w depends on relative humidity and follows a simple compositional Vignes relationship. In MgSO 4 droplets, water diffusivity decreases sharply with water activity and is consistent with predictions from percolation theory. These measurements show that, by combining micrometer-sized particle levitation (a contactless measurement with rapid mixing times) with an established probe of water diffusion, D w can be simply and directly quantified for amorphous and glassy states that are inaccessible to existing methods.« less

Temperature dependence of water diffusion pools in brain white matter.

PubMed

Dhital, Bibek; Labadie, Christian; Stallmach, Frank; Möller, Harald E; Turner, Robert

2016-02-15

Water diffusion in brain tissue can now be easily investigated using magnetic resonance (MR) techniques, providing unique insights into cellular level microstructure such as axonal orientation. The diffusive motion in white matter is known to be non-Gaussian, with increasing evidence for more than one water-containing tissue compartment. In this study, freshly excised porcine brain white matter was measured using a 125-MHz MR spectrometer (3T) equipped with gradient coils providing magnetic field gradients of up to 35,000 mT/m. The sample temperature was varied between -14 and +19 °C. The hypothesis tested was that white matter contains two slowly exchanging pools of water molecules with different diffusion properties. A Stejskal-Tanner diffusion sequence with very short gradient pulses and b-factors up to 18.8 ms/μm(2) was used. The dependence on b-factor of the attenuation due to diffusion was robustly fitted by a biexponential function, with comparable volume fractions for each component. The diffusion coefficient of each component follows Arrhenius behavior, with significantly different activation energies. The measured volume fractions are consistent with the existence of three water-containing compartments, the first comprising relatively free cytoplasmic and extracellular water molecules, the second of water molecules in glial processes, and the third comprising water molecules closely associated with membranes, as for example, in the myelin sheaths and elsewhere. The activation energy of the slow diffusion pool suggests proton hopping at the surface of membranes by a Grotthuss mechanism, mediated by hydrating water molecules. Copyright © 2015 Elsevier Inc. All rights reserved.

Finite Difference Formulation for Prediction of Water Pollution

NASA Astrophysics Data System (ADS)

Johari, Hanani; Rusli, Nursalasawati; Yahya, Zainab

2018-03-01

Water is an important component of the earth. Human being and living organisms are demand for the quality of water. Human activity is one of the causes of the water pollution. The pollution happened give bad effect to the physical and characteristic of water contents. It is not practical to monitor all aspects of water flow and transport distribution. So, in order to help people to access to the polluted area, a prediction of water pollution concentration must be modelled. This study proposed a one-dimensional advection diffusion equation for predicting the water pollution concentration transport. The numerical modelling will be produced in order to predict the transportation of water pollution concentration. In order to approximate the advection diffusion equation, the implicit Crank Nicolson is used. For the purpose of the simulation, the boundary condition and initial condition, the spatial steps and time steps as well as the approximations of the advection diffusion equation have been encoded. The results of one dimensional advection diffusion equation have successfully been used to predict the transportation of water pollution concentration by manipulating the velocity and diffusion parameters.

Estimation of cauliflower mass transfer parameters during convective drying

NASA Astrophysics Data System (ADS)

Sahin, Medine; Doymaz, İbrahim

2017-02-01

The study was conducted to evaluate the effect of pre-treatments such as citric acid and hot water blanching and air temperature on drying and rehydration characteristics of cauliflower slices. Experiments were carried out at four different drying air temperatures of 50, 60, 70 and 80 °C with the air velocity of 2.0 m/s. It was observed that drying and rehydration characteristics of cauliflower slices were greatly influenced by air temperature and pre-treatment. Six commonly used mathematical models were evaluated to predict the drying kinetics of cauliflower slices. The Midilli et al. model described the drying behaviour of cauliflower slices at all temperatures better than other models. The values of effective moisture diffusivities ( D eff ) were determined using Fick's law of diffusion and were between 4.09 × 10-9 and 1.88 × 10-8 m2/s. Activation energy was estimated by an Arrhenius type equation and was 23.40, 29.09 and 26.39 kJ/mol for citric acid, blanch and control samples, respectively.

Hyperspectral radiometer for automated measurement of global and diffuse sky irradiance

NASA Astrophysics Data System (ADS)

Kuusk, Joel; Kuusk, Andres

2018-01-01

An automated hyperspectral radiometer for the measurement of global and diffuse sky irradiance, SkySpec, has been designed for providing the SMEAR-Estonia research station with spectrally-resolved solar radiation data. The spectroradiometer has been carefully studied in the optical radiometry laboratory of Tartu Observatory, Estonia. Recorded signals are corrected for spectral stray light as well as for changes in dark signal and spectroradiometer spectral responsivity due to temperature effects. Comparisons with measurements of shortwave radiation fluxes made at the Baseline Surface Radiation Network (BSRN) station at Tõravere, Estonia, and with fluxes simulated using the atmospheric radiative transfer model 6S and Aerosol Robotic Network (AERONET) data showed that the spectroradiometer is a reliable instrument that provides accurate estimates of integrated fluxes and of their spectral distribution. The recorded spectra can be used to estimate the amount of atmospheric constituents such as aerosol and column water vapor, which are needed for the atmospheric correction of spectral satellite images.

Predict the glass transition temperature and plasticization of β-cyclodextrin/water binary system by molecular dynamics simulation.

PubMed

Zhou, Guohui; Zhao, Tianhai; Wan, Jie; Liu, Chengmei; Liu, Wei; Wang, Risi

2015-01-12

The glass transition temperature, diffusion behavior and plasticization of β-cyclodextrin (β-CD), and three amorphous β-CD/water mixtures (3%, 5% and 10% [w/w] water, respectively) were investigated by molecular dynamics simulation, which were performed using Condensed-phase Optimized Molecular Potentials for Atomistic Simulation Studies (COMPASS) force field and isothermal-isobaric ensembles. The specific volumes of four amorphous cells were obtained as a function of temperature. The glass transition temperatures (T(g)) were estimated to be 334.25 K, 325.12 K, 317.32 K, and 305.41 K for amorphous β-CD containing 0%, 3%, 5% and 10% w/w water, respectively, which compares well with the values observed in published literature. The radial distribution function was computed to elucidate the intermolecular interactions between amorphous β-CD and water, which acts as a plasticizer. These results indicate that the hydrogen bond interactions of oxygen in hydroxyl ions was higher than oxygen in acetal groups in β-CD amorphous mixtures with that in water, due to less accessibility of ring oxygens to the surrounding water molecules. The mobility of water molecules was investigated over various temperature ranges, including the rubbery and glassy phases of the β-CD/water mixtures, by calculating the diffusion coefficients and the fractional free volume. In β-CD amorphous models, the higher mobility of water molecules was observed at temperatures above Tg, and almost no change was observed at temperatures below T(g). Copyright © 2014 Elsevier Ltd. All rights reserved.

Development of advanced methods for analysis of experimental data in diffusion

NASA Astrophysics Data System (ADS)

Jaques, Alonso V.

There are numerous experimental configurations and data analysis techniques for the characterization of diffusion phenomena. However, the mathematical methods for estimating diffusivities traditionally do not take into account the effects of experimental errors in the data, and often require smooth, noiseless data sets to perform the necessary analysis steps. The current methods used for data smoothing require strong assumptions which can introduce numerical "artifacts" into the data, affecting confidence in the estimated parameters. The Boltzmann-Matano method is used extensively in the determination of concentration - dependent diffusivities, D(C), in alloys. In the course of analyzing experimental data, numerical integrations and differentiations of the concentration profile are performed. These methods require smoothing of the data prior to analysis. We present here an approach to the Boltzmann-Matano method that is based on a regularization method to estimate a differentiation operation on the data, i.e., estimate the concentration gradient term, which is important in the analysis process for determining the diffusivity. This approach, therefore, has the potential to be less subjective, and in numerical simulations shows an increased accuracy in the estimated diffusion coefficients. We present a regression approach to estimate linear multicomponent diffusion coefficients that eliminates the need pre-treat or pre-condition the concentration profile. This approach fits the data to a functional form of the mathematical expression for the concentration profile, and allows us to determine the diffusivity matrix directly from the fitted parameters. Reformulation of the equation for the analytical solution is done in order to reduce the size of the problem and accelerate the convergence. The objective function for the regression can incorporate point estimations for error in the concentration, improving the statistical confidence in the estimated diffusivity matrix. Case studies are presented to demonstrate the reliability and the stability of the method. To the best of our knowledge there is no published analysis of the effects of experimental errors on the reliability of the estimates for the diffusivities. For the case of linear multicomponent diffusion, we analyze the effects of the instrument analytical spot size, positioning uncertainty, and concentration uncertainty on the resulting values of the diffusivities. These effects are studied using Monte Carlo method on simulated experimental data. Several useful scaling relationships were identified which allow more rigorous and quantitative estimates of the errors in the measured data, and are valuable for experimental design. To further analyze anomalous diffusion processes, where traditional diffusional transport equations do not hold, we explore the use of fractional calculus in analytically representing these processes is proposed. We use the fractional calculus approach for anomalous diffusion processes occurring through a finite plane sheet with one face held at a fixed concentration, the other held at zero, and the initial concentration within the sheet equal to zero. This problem is related to cases in nature where diffusion is enhanced relative to the classical process, and the order of differentiation is not necessarily a second--order differential equation. That is, differentiation is of fractional order alpha, where 1 ≤ alpha < 2. For alpha = 2, the presented solutions reduce to the classical second-order diffusion solution for the conditions studied. The solution obtained allows the analysis of permeation experiments. Frequently, hydrogen diffusion is analyzed using electrochemical permeation methods using the traditional, Fickian-based theory. Experimental evidence shows the latter analytical approach is not always appropiate, because reported data shows qualitative (and quantitative) deviation from its theoretical scaling predictions. Preliminary analysis of data shows better agreement with fractional diffusion analysis when compared to traditional square-root scaling. Although there is a large amount of work in the estimation of the diffusivity from experimental data, reported studies typically present only the analytical description for the diffusivity, without scattering. However, because these studies do not consider effects produced by instrument analysis, their direct applicability is limited. We propose alternatives to address these, and to evaluate their influence on the final resulting diffusivity values.

A global ocean climatological atlas of the Turner angle: implications for double-diffusion and water-mass structure

NASA Astrophysics Data System (ADS)

You, Yuzhu

2002-11-01

The 1994 Levitus climatological atlas is used to calculate the Turner angle (named after J. Stewart Turner) to examine which oceanic water masses are favorable for double-diffusion in the form of diffusive convection or salt-fingering and which are doubly stable. This atlas complements the Levitus climatology. It reveals the major double-diffusive signals associated with large-scale water-mass structure. In total, about 44% of the oceans display double-diffusion, of which 30% is salt-fingering and 14% is diffusive double-diffusion. Results show that various central and deep waters are favorable for salt-fingering. The former is due to positive evaporation minus precipitation, and the latter is due to thermohaline circulation, i.e. the southward spreading of relatively warm, salty North Atlantic Deep Water (NADW) overlying cold, fresh Antarctic Bottom Water. In the northern Indian Ocean and eastern North Atlantic, favorable conditions for salt-fingering are found throughout the water column. The Red Sea (including the Persian Gulf) and Mediterranean Sea are the sources of warm, salty water for the ocean. As consequence, temperature and salinity in these outflow regions both decrease from the sea surface to the bottom. On the other hand, ocean currents are in general sluggish in these regions. In the polar and subpolar regions of Arctic and Antarctic, Okhotsk Sea, Gulf of Alaska, the subpolar gyre of the North Pacific, the Labrador Sea, and the Norwegian Sea, the upper layer water is favorable for diffusive convection because of high latitude surface cooling and ice melting. Weak and shallow diffusive convection is also found throughout tropical regions and the Bay of Bengal. The former is due to excessive precipitation over evaporation and rain cooling, and the latter is due to both precipitation and river runoff. Diffusive convection in the ocean's interior is unique to the South Atlantic between Antarctic Intermediate Water and upper NADW (uNADW). It is the consequence of the intrusive equatorward flow of upper Circumpolar Deep Water, which carries with it the minimum temperature and very low salinity overlying warm, salty uNADW.

Horizontal mixing in the Southern Ocean from Argo float trajectories

NASA Astrophysics Data System (ADS)

Roach, Christopher J.; Balwada, Dhruv; Speer, Kevin

2016-08-01

We provide the first observational estimate of the circumpolar distribution of cross-stream eddy diffusivity at 1000 m in the Southern Ocean using Argo float trajectories. We show that Argo float trajectories, from the float surfacing positions, can be used to estimate lateral eddy diffusivities in the ocean and that these estimates are comparable to those obtained from RAFOS floats, where they overlap. Using the Southern Ocean State Estimate (SOSE) velocity fields to advect synthetic particles with imposed behavior that is "Argo-like" and "RAFOS-like" diffusivity estimates from both sets of synthetic particles agreed closely at the three dynamically very different test sites, the Kerguelen Island region, the Southeast Pacific Ocean, and the Scotia Sea, and support our approach. Observed cross-stream diffusivities at 1000 m, calculated from Argo float trajectories, ranged between 300 and 2500 m2 s-1, with peaks corresponding to topographic features associated with the Scotia Sea, the Kerguelen Plateau, the Campbell Plateau, and the Southeast Pacific Ridge. These observational estimates agree with previous regional estimates from the Diapycnal and Isopycnal Mixing Experiment in the Southern Ocean (DIMES) near the Drake Passage, and other estimates from natural tracers (helium), inverse modeling studies, and current meter measurements. These estimates are also compared to the suppressed eddy diffusivity in the presence of mean flows. The comparison suggests that away from regions of strong topographic steering suppression explains both the structure and magnitude of eddy diffusivity but that eddy diffusivities in the regions of topographic steering are greater than what would be theoretically expected and the ACC experiences localized enhanced cross-stream mixing in these regions.

Worldwide Ocean Optics Database (WOOD)

DTIC Science & Technology

2001-09-30

user can obtain values computed from empirical algorithms (e.g., beam attenuation estimated from diffuse attenuation and backscatter data). Error ...from empirical algorithms (e.g., beam attenuation estimated from diffuse attenuation and backscatter data). Error estimates will also be provided for...properties, including diffuse attenuation, beam attenuation, and scattering. The database shall be easy to use, Internet accessible, and frequently updated

Differentiating transpiration from evaporation in seasonal agricultural wetlands and the link to advective fluxes in the root zone

USGS Publications Warehouse

Bachand, P.A.M.; S. Bachand,; Fleck, Jacob A.; Anderson, Frank E.; Windham-Myers, Lisamarie

2014-01-01

The current state of science and engineering related to analyzing wetlands overlooks the importance of transpiration and risks data misinterpretation. In response, we developed hydrologic and mass budgets for agricultural wetlands using electrical conductivity (EC) as a natural conservative tracer. We developed simple differential equations that quantify evaporation and transpiration rates using flowrates and tracer concentrations atwetland inflows and outflows. We used two ideal reactormodel solutions, a continuous flowstirred tank reactor (CFSTR) and a plug flow reactor (PFR), to bracket real non-ideal systems. From those models, estimated transpiration ranged from 55% (CFSTR) to 74% (PFR) of total evapotranspiration (ET) rates, consistent with published values using standard methods and direct measurements. The PFR model more appropriately represents these nonideal agricultural wetlands in which check ponds are in series. Using a fluxmodel, we also developed an equation delineating the root zone depth at which diffusive dominated fluxes transition to advective dominated fluxes. This relationship is similar to the Peclet number that identifies the dominance of advective or diffusive fluxes in surface and groundwater transport. Using diffusion coefficients for inorganic mercury (Hg) and methylmercury (MeHg) we calculated that during high ET periods typical of summer, advective fluxes dominate root zone transport except in the top millimeters below the sediment–water interface. The transition depth has diel and seasonal trends, tracking those of ET. Neglecting this pathway has profound implications: misallocating loads along different hydrologic pathways; misinterpreting seasonal and diel water quality trends; confounding Fick's First Law calculations when determining diffusion fluxes using pore water concentration data; and misinterpreting biogeochemicalmechanisms affecting dissolved constituent cycling in the root zone. In addition,our understanding of internal root zone cycling of Hg and other dissolved constituents, benthic fluxes, and biological irrigation may be greatly affected.

Internal loading of phosphorus in western Lake Erie

USGS Publications Warehouse

Matisoff, Gerald; Kaltenberg, Eliza M.; Steely, Rebecca L.; Hummel, Stephanie K.; Seo, Jinyu; Gibbons, Kenneth J.; Bridgeman, Thomas B.; Seo, Youngwoo; Behbahani, Mohsen; James, William F.; Johnson, Laura; Doan, Phuong; Dittrich, Maria; Evans, Mary Anne; Chaffin, Justin D.

2016-01-01

This study applied eight techniques to obtain estimates of the diffusive flux of phosphorus (P) from bottom sediments throughout the western basin of Lake Erie. The flux was quantified from both aerobic and anaerobic incubations of whole cores; by monitoring the water encapsulated in bottom chambers; from pore water concentration profiles measured with a phosphate microelectrode, a diffusive equilibrium in thin films (DET) hydrogel, and expressed pore waters; and from mass balance and biogeochemical diagenetic models. Fluxes under aerobic conditions at summertime temperatures averaged 1.35 mg P/m2/day and displayed spatial variability on scales as small as a centimeter. Using two different temperature correction factors, the flux was adjusted to mean annual temperature yielding average annual fluxes of 0.43–0.91 mg P/m2/day and a western basin-wide total of 378–808 Mg P/year as the diffusive flux from sediments. This is 3–7% of the 11,000 Mg P/year International Joint Commission (IJC) target load for phosphorus delivery to Lake Erie from external sources. Using these average aerobic fluxes, the sediment contributes 3.0–6.3 μg P/L as a background internal contribution that represents 20–42% of the IJC Target Concentration of 15 μg P/L for the western basin. The implication is that this internal diffusive recycling of P is unlikely to trigger cyanobacterial blooms by itself but is sufficiently large to cause blooms when combined with external loads. This background flux may be also responsible for delayed response of the lake to any decrease in the external loading.

Weeks Island brine diffuser site study: baseline conditions and environmental assessment technical report

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

1980-12-12

This technical report presents the results of a study conducted at two alternative brine diffuser sites (A and B) proposed for the Weeks Island salt dome, together with an analysis of the potential physical, chemical, and biological effects of brine disposal for this area of the Gulf of Mexico. Brine would result from either the leaching of salt domes to form or enlarge oil storage caverns, or the subsequent use of these caverns for crude oil storage in the Strategic Petroleum Reserve (SPR) program. Brine leached from the Weeks Island salt dome would be transported through a pipeline which wouldmore » extend from the salt dome either 27 nautical miles (32 statute miles) for Site A, or 41 nautical miles (47 statute miles) for Site B, into Gulf waters. The brine would be discharged at these sites through an offshore diffuser at a sustained peak rate of 39 ft/sup 3//sec. The disposal of large quantities of brine in the Gulf could have a significant impact on the biology and water quality of the area. Physical and chemical measurements of the marine environment at Sites A and B were taken between September 1977 and July 1978 to correlate the existing environmental conditions with the estimated physical extent of tthe brine discharge as predicted by the MIT model (US Dept. of Commerce, 1977a). Measurements of wind, tide, waves, currents, and stratification (water column structure) were also obtained since the diffusion and dispersion of the brine plume are a function of the local circulation regime. These data were used to calculate both near- and far-field concentrations of brine, and may also be used in the design criteria for diffuser port configuration and verification of the plume model. Biological samples were taken to characterize the sites and to predict potential areas of impact with regard to the discharge. This sampling focused on benthic organisms and demersal fish. (DMC)« less

Overcoming free energy barriers using unconstrained molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Hénin, Jérôme; Chipot, Christophe

2004-08-01

Association of unconstrained molecular dynamics (MD) and the formalisms of thermodynamic integration and average force [Darve and Pohorille, J. Chem. Phys. 115, 9169 (2001)] have been employed to determine potentials of mean force. When implemented in a general MD code, the additional computational effort, compared to other standard, unconstrained simulations, is marginal. The force acting along a chosen reaction coordinate ξ is estimated from the individual forces exerted on the chemical system and accumulated as the simulation progresses. The estimated free energy derivative computed for small intervals of ξ is canceled by an adaptive bias to overcome the barriers of the free energy landscape. Evolution of the system along the reaction coordinate is, thus, limited by its sole self-diffusion properties. The illustrative examples of the reversible unfolding of deca-L-alanine, the association of acetate and guanidinium ions in water, the dimerization of methane in water, and its transfer across the water liquid-vapor interface are examined to probe the efficiency of the method.

Overcoming free energy barriers using unconstrained molecular dynamics simulations.

PubMed

Hénin, Jérôme; Chipot, Christophe

2004-08-15

Association of unconstrained molecular dynamics (MD) and the formalisms of thermodynamic integration and average force [Darve and Pohorille, J. Chem. Phys. 115, 9169 (2001)] have been employed to determine potentials of mean force. When implemented in a general MD code, the additional computational effort, compared to other standard, unconstrained simulations, is marginal. The force acting along a chosen reaction coordinate xi is estimated from the individual forces exerted on the chemical system and accumulated as the simulation progresses. The estimated free energy derivative computed for small intervals of xi is canceled by an adaptive bias to overcome the barriers of the free energy landscape. Evolution of the system along the reaction coordinate is, thus, limited by its sole self-diffusion properties. The illustrative examples of the reversible unfolding of deca-L-alanine, the association of acetate and guanidinium ions in water, the dimerization of methane in water, and its transfer across the water liquid-vapor interface are examined to probe the efficiency of the method. (c) 2004 American Institute of Physics.

Triple isotope composition of oxygen in atmospheric water vapor

NASA Astrophysics Data System (ADS)

Uemura, Ryu; Barkan, Eugeni; Abe, Osamu; Luz, Boaz

2010-02-01

Recently, an excess of 17O (17O-excess) has been demonstrated in meteoric water and ice cores. Based on theory and experiments, it has been suggested that this excess originates from evaporation of ocean water into under-saturated air. However, there has never been direct demonstration of this excess in marine vapor. Here, we present results of the first measurements of δ17O and δ18O in vapor samples collected over the South Indian and the Southern Oceans. Our data show the existence of 17O-excess in marine vapor and also clear negative correlation between 17O-excess and relative humidity. Thus, 17O-excess is useful for constraining oceanic humidity in hydrological and climatic models. Using the obtained values of 17O-excess, we estimated the fractionation factor between H218O and H216O for diffusion in air above the ocean (18αdiff). The new estimation of 18αdiff (1.008) is larger than the widely accepted value in hydrological studies.

An Analysis of a Finite Element Method for Convection-Diffusion Problems. Part II. A Posteriori Error Estimates and Adaptivity.

DTIC Science & Technology

1983-03-01

AN ANALYSIS OF A FINITE ELEMENT METHOD FOR CONVECTION- DIFFUSION PROBLEMS PART II: A POSTERIORI ERROR ESTIMATES AND ADAPTIVITY by W. G. Szymczak Y 6a...PERIOD COVERED AN ANALYSIS OF A FINITE ELEMENT METHOD FOR final life of the contract CONVECTION- DIFFUSION PROBLEM S. Part II: A POSTERIORI ERROR ...Element Method for Convection- Diffusion Problems. Part II: A Posteriori Error Estimates and Adaptivity W. G. Szvmczak and I. Babu~ka# Laboratory for

Multi-Mission Remote Sensing of Suspended Particulate Matter and Diffuse Attenuation Coefficient in the Yangtze Estuarine and Coastal Waters

NASA Astrophysics Data System (ADS)

Yu, X.; Salama, S.; Shen, F.

2016-08-01

During the Dragon-3 project (ID: 10555) period, we developed and improved the atmospheric correction algorithms (AC) and retrieval models of suspended sediment concentration ( ) and diffuse attenuation coefficient ( ) for the Yangtze estuarine and coastal waters. The developed models were validated by measurements with consistently stable and fairly accurate estimations, reproducing reasonable distribution maps of and over the study area. Spatial-temporal variations of were presented and the mechanisms of the sediment transport were discussed. We further examined the compatibility of the developed AC algorithms and retrieval model and the consistency of satellite products for multi-sensor such as MODIS/Terra/Aqua, MERIS/Envisat, MERSI/ FY-3 and GOCI. The inter-comparison of multi- sensor suggested that different satellite products can be combined to increase revisit frequency and complement a temporal gap of time series satellites that may exist between on-orbit and off- orbit, facilitating a better monitor on the spatial- temporal dynamics of .

Low cost fuel cell diffusion layer configured for optimized anode water management

DOEpatents

Owejan, Jon P; Nicotera, Paul D; Mench, Matthew M; Evans, Robert E

2013-08-27

A fuel cell comprises a cathode gas diffusion layer, a cathode catalyst layer, an anode gas diffusion layer, an anode catalyst layer and an electrolyte. The diffusion resistance of the anode gas diffusion layer when operated with anode fuel is higher than the diffusion resistance of the cathode gas diffusion layer. The anode gas diffusion layer may comprise filler particles having in-plane platelet geometries and be made of lower cost materials and manufacturing processes than currently available commercial carbon fiber substrates. The diffusion resistance difference between the anode gas diffusion layer and the cathode gas diffusion layer may allow for passive water balance control.

Estimating the spin diffusion length and the spin Hall angle from spin pumping induced inverse spin Hall voltages

NASA Astrophysics Data System (ADS)

Roy, Kuntal

2017-11-01

There exists considerable confusion in estimating the spin diffusion length of materials with high spin-orbit coupling from spin pumping experiments. For designing functional devices, it is important to determine the spin diffusion length with sufficient accuracy from experimental results. An inaccurate estimation of spin diffusion length also affects the estimation of other parameters (e.g., spin mixing conductance, spin Hall angle) concomitantly. The spin diffusion length for platinum (Pt) has been reported in the literature in a wide range of 0.5-14 nm, and in particular it is a constant value independent of Pt's thickness. Here, the key reasonings behind such a wide range of reported values of spin diffusion length have been identified comprehensively. In particular, it is shown here that a thickness-dependent conductivity and spin diffusion length is necessary to simultaneously match the experimental results of effective spin mixing conductance and inverse spin Hall voltage due to spin pumping. Such a thickness-dependent spin diffusion length is tantamount to the Elliott-Yafet spin relaxation mechanism, which bodes well for transitional metals. This conclusion is not altered even when there is significant interfacial spin memory loss. Furthermore, the variations in the estimated parameters are also studied, which is important for technological applications.

Estimating hydraulic properties from tidal attenuation in the Northern Guam Lens Aquifer, territory of Guam, USA

USGS Publications Warehouse

Rotzoll, Kolja; Gingerich, Stephen B.; Jenson, John W.; El-Kadi, Aly I.

2013-01-01

Tidal-signal attenuations are analyzed to compute hydraulic diffusivities and estimate regional hydraulic conductivities of the Northern Guam Lens Aquifer, Territory of Guam (Pacific Ocean), USA. The results indicate a significant tidal-damping effect at the coastal boundary. Hydraulic diffusivities computed using a simple analytical solution for well responses to tidal forcings near the periphery of the island are two orders of magnitude lower than for wells in the island’s interior. Based on assigned specific yields of ~0.01–0.4, estimated hydraulic conductivities are ~20–800 m/day for peripheral wells, and ~2,000–90,000 m/day for interior wells. The lower conductivity of the peripheral rocks relative to the interior rocks may best be explained by the effects of karst evolution: (1) dissolutional enhancement of horizontal hydraulic conductivity in the interior; (2) case-hardening and concurrent reduction of local hydraulic conductivity in the cliffs and steeply inclined rocks of the periphery; and (3) the stronger influence of higher-conductivity regional-scale features in the interior relative to the periphery. A simple numerical model calibrated with measured water levels and tidal response estimates values for hydraulic conductivity and storage parameters consistent with the analytical solution. The study demonstrates how simple techniques can be useful for characterizing regional aquifer properties.

Global Anthropogenic Phosphorus Loads to Freshwater and Associated Grey Water Footprints and Water Pollution Levels: A High-Resolution Global Study

NASA Astrophysics Data System (ADS)

Mekonnen, Mesfin M.; Hoekstra, Arjen Y.

2018-01-01

We estimate the global anthropogenic phosphorus (P) loads to freshwater and the associated grey water footprints (GWFs) for the period 2002-2010, at a spatial resolution of 5 × 5 arc min, and compare the GWF per river basin to runoff to assess the P-related water pollution level (WPL). The global anthropogenic P load to freshwater systems from both diffuse and point sources is estimated at 1.5 Tg/yr. More than half of this total load was in Asia, followed by Europe (19%) and Latin America and the Caribbean (13%). The domestic sector contributed 54% to the total, agriculture 38%, and industry 8%. In agriculture, cereals production had the largest contribution to the P load (31%), followed by fruits, vegetables, and oil crops, each contributing 15%. The global total GWF related to anthropogenic P loads is estimated to be 147 × 1012 m3/yr, with China contributing 30%, India 8%, USA 7%, and Spain and Brazil 6% each. The basins with WPL > 1 (where GWF exceeds the basin's assimilation capacity) together cover about 38% of the global land area, 37% of the global river discharge, and provide residence to about 90% of the global population.

Using diurnal temperature signals to infer vertical groundwater-surface water exchange

USGS Publications Warehouse

Irvine, Dylan J.; Briggs, Martin A.; Lautz, Laura K.; Gordon, Ryan P.; McKenzie, Jeffrey M.; Cartwright, Ian

2017-01-01

Heat is a powerful tracer to quantify fluid exchange between surface water and groundwater. Temperature time series can be used to estimate pore water fluid flux, and techniques can be employed to extend these estimates to produce detailed plan-view flux maps. Key advantages of heat tracing include cost-effective sensors and ease of data collection and interpretation, without the need for expensive and time-consuming laboratory analyses or induced tracers. While the collection of temperature data in saturated sediments is relatively straightforward, several factors influence the reliability of flux estimates that are based on time series analysis (diurnal signals) of recorded temperatures. Sensor resolution and deployment are particularly important in obtaining robust flux estimates in upwelling conditions. Also, processing temperature time series data involves a sequence of complex steps, including filtering temperature signals, selection of appropriate thermal parameters, and selection of the optimal analytical solution for modeling. This review provides a synthesis of heat tracing using diurnal temperature oscillations, including details on optimal sensor selection and deployment, data processing, model parameterization, and an overview of computing tools available. Recent advances in diurnal temperature methods also provide the opportunity to determine local saturated thermal diffusivity, which can improve the accuracy of fluid flux modeling and sensor spacing, which is related to streambed scour and deposition. These parameters can also be used to determine the reliability of flux estimates from the use of heat as a tracer.

Sorption of water by biochar: Closer look at micropores

NASA Astrophysics Data System (ADS)

Spokas, Kurt; Hall, Kathleen; Joseph, Stephan; Kammann, Claudia; Novak, Jeffrey; Gámiz, Beatriz; Cox, Lucia

2017-04-01

Typically, biochar has been assumed to increase total water content of the soil system and thereby positively influence plant-soil moisture hydraulics. In this work, we focused on water's interaction with micro-pores (<2 nm) and its influence on water availability. In other words, the main question was if the driving force of water's behavior was the physics or chemistry of biochar pores. The temporal scale of liquid water entry into biochar's pore network is very complex, with observed bubbling occurring days, weeks, and even months after a piece of biochar is immersed under water at ambient conditions. Elevated temperature biochar typically has a positive heat of immersion measured calorimetrically, whereas the calculated BET energy of sorption from a water sorption isotherm typically decrease with production temperatures. To further complicate matters, different pieces of biochar interact differently with water even though the entire batch was created in the same reactor at the same time and after liquid water exposure the physical structure of biochar is irreversibly altered, sometimes negligible other times catastrophically. Nevertheless, based on the estimations of diffusion coefficients in biochar from drying curve analyses, pore surface moieties do reduce the effective diffusivity of water vapor in biochar. Contrary to the rule of thumb in soil physics, where higher gas filled porosity correlates with higher soil moisture holding capacities, our results indicate that biochar's water sorption rate and capacity is actually reduced at ambient conditions by an increase in microporous volume. Thereby, biochar's hydrophobic behavior is partly due to the entrapment of gas within the air-filled porosity which prevents liquid water's entry, even though these biochars possess elevated gas phase sorption capacities (e.g., BET N2/CO2 surface areas).

Benthic nutrient sources to hypereutrophic upper Klamath Lake, Oregon, USA.

PubMed

Kuwabara, James S; Topping, Brent R; Lynch, Dennis D; Carter, James L; Essaid, Hedeff I

2009-03-01

Three collecting trips were coordinated in April, May, and August 2006 to sample the water column and benthos of hypereutrophic Upper Klamath Lake (OR, USA) through the annual cyanophyte bloom of Aphanizomenon flos-aquae. A pore-water profiler was designed and fabricated to obtain the first high-resolution (centimeter-scale) estimates of the vertical concentration gradients of macro- and micronutrients for diffusive-flux determinations. A consistently positive benthic flux for soluble reactive phosphorus (SRP) was observed with solute release from the sediment, ranging between 0.4 and 6.1 mg/m(2)/d. The mass flux over an approximate 200-km(2) lake area was comparable in magnitude to riverine inputs. An additional concern related to fish toxicity was identified when dissolved ammonium also displayed consistently positive benthic fluxes of 4 to 134 mg/m(2)/d, again comparable to riverine inputs. Although phosphorus was a logical initial choice by water quality managers for the limiting nutrient when nitrogen-fixing cyanophytes dominate, initial trace-element results from the lake and major inflowing tributaries suggested that the role of iron limitation on primary productivity should be investigated. Dissolved iron became depleted in the lake water column during the course of the algal bloom, while dissolved ammonium and SRP increased. Elevated macroinvertebrate densities, at least of the order of 10(4) individuals/m(2), suggested that the diffusive-flux estimates may be significantly enhanced by bioturbation. In addition, heat-flux modeling indicated that groundwater advection of nutrients could also significantly contribute to internal nutrient loading. Accurate environmental assessments of lentic systems and reasonable expectations for point-source management require quantitative consideration of internal solute sources.

Tidal variability in benthic silicic acid fluxes and microphytobenthos uptake in intertidal sediment

NASA Astrophysics Data System (ADS)

Leynaert, Aude; Longphuirt, Sorcha Ní; An, Soonmo; Lim, Jae-Hyun; Claquin, Pascal; Grall, Jacques; Kwon, Bong Oh; Koh, Chul Hwan

2011-11-01

Silicic acid (DSi) benthic fluxes play a major role in the benthic-pelagic coupling of coastal ecosystems. They can sustain microphytobenthos (MPB) development at the water-sediment interface and support pelagic diatoms when river DSi inputs decrease. DSi benthic fluxes have been studied at the seasonal scale but little is known about their dial variations. This study measured the amplitude of such variations in an intertidal area over an entire tidal cycle by following the alteration of DSi pore water concentrations at regular intervals over the flood/ebb period. Furthermore we independently estimated the potential DSi uptake by benthic diatoms and compared it to the variations of DSi pore water concentrations and fluxes. The microphytobenthos DSi demand was estimated from primary production measurements on cells extracted from the sediment. There were large changes in DSi pore water concentration and a prominent effect of tidal pumping: the DSi flushed out from the sediment at rising tide, occurs in a very short period of time, but plays a far more important role in fueling the ecosystem (800 μmol-Si m -2 d -1), than diffusive fluxes occurring throughout the rest of the tidal cycle (2 μmol-Si m -2 d -1). This process is not, to our knowledge, currently considered when describing the DSi cycling of intertidal sediments. Moreover, there was a large potential MPB requirement for DSi (812 μmol-Si m -2 d -1), similar to the advective flow periodically pumped by the incoming tide, and largely exceeded benthic diffusive fluxes. However, this DSi uptake by benthic diatoms is almost undetectable given the variation of DSi concentration profiles within the sediment.

Terahertz Measurement of the Water Content Distribution in Wood Materials

NASA Astrophysics Data System (ADS)

Bensalem, M.; Sommier, A.; Mindeguia, J. C.; Batsale, J. C.; Pradere, C.

2018-02-01

Recently, THz waves have been shown to be an effective technique for investigating the water diffusion within porous media, such as biomaterial or insulation materials. This applicability is due to the sufficient resolution for such applications and the safe levels of radiation. This study aims to achieve contactless absolute water content measurements at a steady state case in semi-transparent solids (wood) using a transmittance THz wave range setup. First, a calibration method is developed to validate an analytical model based on the Beer-Lambert law, linking the absorption coefficient, the density of the solid, and its water content. Then, an estimation of the water content on a local scale in a transient-state case (drying) is performed. This study shows that THz waves are an effective contactless, safe, and low-cost technique for the measurement of water content in a porous medium, such as wood.

Effects of different cooling treatments on water diffusion, microcirculation, and water content within exercised muscles: evaluation by magnetic resonance T2-weighted and diffusion-weighted imaging.

PubMed

Yanagisawa, Osamu; Takahashi, Hideyuki; Fukubayashi, Toru

2010-09-01

In this study, we determined the effects of different cooling treatments on exercised muscles. Seven adults underwent four post-exercise treatments (20-min ice-bag application, 60-min gel-pack application at 10 degrees C and 17 degrees C, and non-cooling treatment) with at least 1 week between treatments. Magnetic resonance diffusion- and T2-weighted images were obtained to calculate the apparent diffusion coefficients (apparent diffusion coefficient 1, which reflects intramuscular water diffusion and microcirculation, and apparent diffusion coefficient 2, which is approximately equal to the true diffusion coefficient that excludes as much of the effect of intramuscular microcirculation as possible) and the T2 values (intramuscular water content level) of the ankle dorsiflexors, respectively, before and after ankle dorsiflexion exercise and after post-exercise treatment. The T2 values increased significantly after exercise and returned to pre-exercise values after each treatment; no significant differences were observed among the four post-exercise treatments. Both apparent diffusion coefficients also increased significantly after exercise and decreased significantly after the three cooling treatments; no significant difference was detected among the three cooling treatments. Local cooling suppresses both water diffusion and microcirculation within exercised muscles. Moreover, although the treatment time was longer, adequate cooling effects could be achieved using the gel-pack applications at relatively mild cooling temperatures.

Correlation of rates of tritium migration through porous concrete

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fukada, S.; Katayama, K.; Takeishi, T.

In a nuclear facility when tritium leaks from a glovebox to room accidentally, an atmosphere detritiation system (ADS) starts operating, and HTO released is recovered by ADS. ADS starts when tritium activity in air becomes higher than its controlled level. Before ADS operates, the laboratory walls are the final enclosure facing tritium and are usually made of porous concrete coated with a hydrophobic paint. In the present study, previous data on the diffusivity and adsorption coefficient of concrete and paints are reviewed. Tritium penetrates and migrates into concrete by following 3 ways. First, gaseous HT or T{sub 2} easily penetratesmore » into porous concrete. Its diffusivity is almost equal to that of H{sub 2}. When a gaseous molecule diffuses through pores with a smaller diameter than a mean free path, its migration rate is described by the Knudsen diffusion formula. The second mechanism is H{sub 2}O vapor diffusion in pores. Concrete holds a lot of structural water. Therefore, H{sub 2}O or HTO vapor can diffuse inside concrete pores along with adsorption-desorption and isotopic exchange with structural water, which is the third mechanism. Literature shows that the diffusivity of HTO through the epoxy-resin paint is determined as D(HTO)=1.0*10{sup -16} m{sup 2}/s. We have used this data to set a model and we have applied it to estimate residual tritium in laboratory walls. We have considered 2 accidental cases and a normal case: first, ADS starts operating 1 hour after 100 Ci HTO is released in the room, secondly, ADS starts 24 hours after 100 Ci HTO release and thirdly, when the walls are exposed to HTO for 10 years of normal operation. It appears that the immediate start up of ADS is indispensable for safety.« less

Exploratory laboratory study of lateral turbulent diffusion at the surface of an alluvial channel

USGS Publications Warehouse

Sayre, William W.; Chamberlain, A.R.

1964-01-01

In natural streams turbulent diffusion is one of the principal mechanisms by which liquid and suspended-particulate contaminants are dispersed in the flow. A knowledge of turbulence characteristics is therefore essential in predicting the dispersal rates of contaminants in streams. In this study the theory of diffusion by continuous movements for homogeneous turbulence is applied to lateral diffusion at the surface of an open channel in which there is uniform flow. An exploratory-laboratory investigation was conducted in which the lateral dispersion at the water surface of a sand-Led flume was studied by measuring the lateral spread from a point source of small floating polyethylene articles. The experiment was restricted to a single set of low and channel geometry conditions. The results of the study indicate that with certain restrictions lateral dispersion in alluvial channels may be successfully described by the theory of diffusion by continuous movements. The experiment demonstrates a means for evaluating the lateral diffusion coefficient and also methods for quantitatively estimating fundamental turbulence properties, such as the intensity and the Lagrangian integral scale of turbulence in an alluvial channel. The experimental results show that with increasing distance from the source the coefficient of lateral turbulent diffusion increases initially but tends toward a constant limiting value. This result is in accordance with turbulent diffusion theory. Indications are that the distance downstream from the source required for the diffusion coefficient to reach its limiting value is actually very small when compared to the length scale of most diffusion phenomena in natural streams which are of practical interest.

Ion pair and solvation dynamics of [Bmim][BF4 ] + water system.

PubMed

Cascão, João; Silva, Wagner; Ferreira, Ana S D; Cabrita, Eurico J

2018-02-01

In this work, 1-butyl-3-methylimidazolium tetrafluoroborate/water mixtures were analysed over the whole water composition (x w ) in order to study the rotational and translational behaviour of the ions. We employed a multinuclear NMR approach to determine anion/cation/water diffusion coefficients and longitudinal relaxation rates at different water content. In neat ionic liquids (IL), the cation diffuses faster than the anion, and at low x w , anions and cations share almost the same diffusion coefficient, but above a critical water concentration, the anion begins to diffuse faster than the cation. We identified this composition as approximately 10% x w where the ions share the same diffusion coefficient. We found that the water at this composition seems to have a much more dramatic effect in the rotational diffusion of the anion that decreases substantially and approaches that of the anion in the diluted IL. Translational and rotational dynamics of the ions suggest that water is first incorporated in pockets in the nanostructure of the IL allowing the ions to maintain most of the cation/anion interactions present in neat IL but already disrupting some anion/cation interactions due to preferential interaction with the anion. HOESY and NOESY data show that water displays contacts both with the cation and the anion in a positive NOE regime in contrary to the negative regime found for the cation/anion and cation/cation cross-relaxation. This is in accordance with the high relative diffusion coefficient of water and suggests that water molecules can exchange between preferential location sites that allow water to maintain contacts both with the anion and cation. Copyright © 2017 John Wiley & Sons, Ltd.

Use of Passive Diffusion Samplers for Monitoring Volatile Organic Compounds in Ground Water

USGS Publications Warehouse

Harte, Philip T.; Brayton, Michael J.; Ives, Wayne

2000-01-01

Passive diffusion samplers have been tested at a number of sites where volatile organic compounds (VOC's) are the principal contaminants in ground water. Test results generally show good agreement between concentrations of VOC's in samples collected with diffusion samplers and concentrations in samples collected by purging the water from a well. Diffusion samplers offer several advantages over conventional and low-flow ground-water sampling procedures: * Elimination of the need to purge a well before collecting a sample and to dispose of contaminated water. * Elimination of cross-contamination of samples associated with sampling with non-dedicated pumps or sample delivery tubes. * Reduction in sampling time by as much as 80 percent of that required for 'purge type' sampling methods. * An increase in the frequency and spatial coverage of monitoring at a site because of the associated savings in time and money. The successful use of diffusion samplers depends on the following three primary factors: (1) understanding site conditions and contaminants of interest (defining sample objectives), (2) validating of results of diffusion samplers against more widely acknowledged sampling methods, and (3) applying diffusion samplers in the field.

Study of drug diffusion rate by laser beam deflection technique

NASA Astrophysics Data System (ADS)

Swapna, Mohanachandran Nair. S.; Anitha, Madhu J.; Sankararaman, Sankaranarayana Iyer

2017-06-01

Drug administration is an unavoidable part of treatment. When a drug is administered orally or intravenously, it gets absorbed into the blood stream. The rate and efficiency of absorption depend on the route of administration. When a drug is administered through the oral route, it penetrates the epithelial cells of the intestinal mucosa. The diffusion of the drug into the blood stream depends on various parameters, such as concentration, temperature, and the nature of the mucous membrane. The passive diffusion of drugs is found to obey Fick's law. Water soluble drugs penetrate the cell membrane through aqueous channel or pores. Hence, the study of diffusion of drugs into the water and finally into the blood stream is important. An attempt has been made to study the diffusion of the drug in water as 60% to 80% of human body is water. For the study of drug diffusion in water, a commonly used cough syrup of specific gravity 1.263 is used. It is found that the diffusion rate increases with the concentration of the drug.

A theoretical signal processing framework for linear diffusion MRI: Implications for parameter estimation and experiment design.

PubMed

Varadarajan, Divya; Haldar, Justin P

2017-11-01

The data measured in diffusion MRI can be modeled as the Fourier transform of the Ensemble Average Propagator (EAP), a probability distribution that summarizes the molecular diffusion behavior of the spins within each voxel. This Fourier relationship is potentially advantageous because of the extensive theory that has been developed to characterize the sampling requirements, accuracy, and stability of linear Fourier reconstruction methods. However, existing diffusion MRI data sampling and signal estimation methods have largely been developed and tuned without the benefit of such theory, instead relying on approximations, intuition, and extensive empirical evaluation. This paper aims to address this discrepancy by introducing a novel theoretical signal processing framework for diffusion MRI. The new framework can be used to characterize arbitrary linear diffusion estimation methods with arbitrary q-space sampling, and can be used to theoretically evaluate and compare the accuracy, resolution, and noise-resilience of different data acquisition and parameter estimation techniques. The framework is based on the EAP, and makes very limited modeling assumptions. As a result, the approach can even provide new insight into the behavior of model-based linear diffusion estimation methods in contexts where the modeling assumptions are inaccurate. The practical usefulness of the proposed framework is illustrated using both simulated and real diffusion MRI data in applications such as choosing between different parameter estimation methods and choosing between different q-space sampling schemes. Copyright © 2017 Elsevier Inc. All rights reserved.

Correcting for diffusion in carbon-14 dating of ground water

USGS Publications Warehouse

Sanford, W.E.

1997-01-01

It has generally been recognized that molecular diffusion can be a significant process affecting the transport of carbon-14 in the subsurface when occurring either from a permeable aquifer into a confining layer or from a fracture into a rock matrix. An analytical solution that is valid for steady-state radionuclide transport through fractured rock is shown to be applicable to many multilayered aquifer systems. By plotting the ratio of the rate of diffusion to the rate of decay of carbon-14 over the length scales representative of several common hydrogeologic settings, it is demonstrated that diffusion of carbon-14 should often be not only a significant process, but a dominant one relative to decay. An age-correction formula is developed and applied to the Bangkok Basin of Thailand, where a mean carbon-14-based age of 21,000 years was adjusted to 11,000 years to account for diffusion. This formula and its graphical representation should prove useful for many studies, for they can be used first to estimate the potential role of diffusion and then to make a simple first-order age correction if necessary.It has generally been recognized that molecular diffusion can be a significant process affecting the transport of carbon-14 in the subsurface when occurring either from a permeable aquifer into a confining layer or from a fracture into a rock matrix. An analytical solution that is valid for steady-state radionuclide transport through fractured rock is shown to be applicable to many multilayered aquifer systems. By plotting the ratio of the rate of diffusion to the rate of decay of carbon-14 over the length scales representative of several common hydrogeologic settings, it is demonstrated that diffusion of carbon-14 should often be not only a significant process, but a dominant one relative to decay. An age-correction formula is developed and applied to the Bangkok Basin of Thailand, where a mean carbon-14-based age of 21,000 years was adjusted to 11,000 years to account for diffusion. This formula and its graphical representation should prove useful for many studies, for they can be used first to estimate the potential role of diffusion and then to make a simple first-order age correction if necessary.

First Principles Study for Proton Transport and Diffusion Behavior in Hydrous Hexagonal WO3

NASA Astrophysics Data System (ADS)

Liu, Chi-Ping; Zhou, Fei; Ozolins, Vidvuds; QPAM Team

2013-03-01

Proton transport is of great importance in biological species and energy storage and conversion systems. Previous studies have shown fast proton conduction in liquids and polymers but seldom in inorganic materials. In this work, first principles density functional theory (DFT) reveals that the formation of hydronium and water chains inside the hexagonal channels plays the key roles for the anomalously fast proton transport, by following modified Grotthuss mechanism. Our DFT study shows the detailed microscopic proton diffusion mechanism along the channel in hydrous WO3 with 50% water composition, which is proper for water chain formation. The water chain in the channel serves as a possible diffusion media for hydronium (H3O +) . With the continuous formation and cleavage of hydrogen bonds in the channel, the hydronium diffuses by hydrogen bonds exchange between water molecules. This mechanism is very similar with Grotthuss relay mechanism for proton transport in liquid. The possible proton diffusion were studied for hydronium is either far away from the water chain bond defect or next to H2O defect at the end of water chain. The diffusion barriers for both conditions are around 150 meV to 200 meV, and water defects reorganization in the chain is the rate-limited step for proton diffusion. These small diffusion barriers could explain the fast 1-D proton transport in hydrous WO3 channel. Further studies about fast proton transport in other inorganic materials could be an important topic in not only biochemistry but also clean energy applications like fuel cell applications.

Aggregation Number in Water/n-Hexanol Molecular Clusters Formed in Cyclohexane at Different Water/n-Hexanol/Cyclohexane Compositions Calculated by Titration 1H NMR.

PubMed

Flores, Mario E; Shibue, Toshimichi; Sugimura, Natsuhiko; Nishide, Hiroyuki; Moreno-Villoslada, Ignacio

2017-11-09

Upon titration of n-hexanol/cyclohexane mixtures of different molar compositions with water, water/n-hexanol clusters are formed in cyclohexane. Here, we develop a new method to estimate the water and n-hexanol aggregation numbers in the clusters that combines integration analysis in one-dimensional 1 H NMR spectra, diffusion coefficients calculated by diffusion-ordered NMR spectroscopy, and further application of the Stokes-Einstein equation to calculate the hydrodynamic volume of the clusters. Aggregation numbers of 5-15 molecules of n-hexanol per cluster in the absence of water were observed in the whole range of n-hexanol/cyclohexane molar fractions studied. After saturation with water, aggregation numbers of 6-13 n-hexanol and 0.5-5 water molecules per cluster were found. O-H and O-O atom distances related to hydrogen bonds between donor/acceptor molecules were theoretically calculated using density functional theory. The results show that at low n-hexanol molar fractions, where a robust hydrogen-bond network is held between n-hexanol molecules, addition of water makes the intermolecular O-O atom distance shorter, reinforcing molecular association in the clusters, whereas at high n-hexanol molar fractions, where dipole-dipole interactions dominate, addition of water makes the intermolecular O-O atom distance longer, weakening the cluster structure. This correlates with experimental NMR results, which show an increase in the size and aggregation number in the clusters upon addition of water at low n-hexanol molar fractions, and a decrease of these magnitudes at high n-hexanol molar fractions. In addition, water produces an increase in the proton exchange rate between donor/acceptor molecules at all n-hexanol molar fractions.

Water diffusion-exchange effect on the paramagnetic relaxation enhancement in off-resonance rotating frame

NASA Astrophysics Data System (ADS)

Zhang, Huiming; Xie, Yang; Ji, Tongyu

2007-06-01

The off-resonance rotating frame technique based on the spin relaxation properties of off-resonance T1 ρ can significantly increase the sensitivity of detecting paramagnetic labeling at high magnetic fields by MRI. However, the in vivo detectable dimension for labeled cell clusters/tissues in T1 ρ-weighted images is limited by the water diffusion-exchange between mesoscopic scale compartments. An experimental investigation of the effect of water diffusion-exchange between compartments on the paramagnetic relaxation enhancement of paramagnetic agent compartment is presented for in vitro/ in vivo models. In these models, the size of paramagnetic agent compartment is comparable to the mean diffusion displacement of water molecules during the long RF pulses that are used to generate the off-resonance rotating frame. The three main objectives of this study were: (1) to qualitatively correlate the effect of water diffusion-exchange with the RF parameters of the long pulse and the rates of water diffusion, (2) to explore the effect of water diffusion-exchange on the paramagnetic relaxation enhancement in vitro, and (3) to demonstrate the paramagnetic relaxation enhancement in vivo. The in vitro models include the water permeable dialysis tubes or water permeable hollow fibers embedded in cross-linked proteins gels. The MWCO of the dialysis tubes was chosen from 0.1 to 15 kDa to control the water diffusion rate. Thin hollow fibers were chosen to provide sub-millimeter scale compartments for the paramagnetic agents. The in vivo model utilized the rat cerebral vasculatures as a paramagnetic agent compartment, and intravascular agents (Gd-DTPA) 30-BSA were administrated into the compartment via bolus injections. Both in vitro and in vivo results demonstrate that the paramagnetic relaxation enhancement is predominant in the T1 ρ-weighted image in the presence of water diffusion-exchange. The T1 ρ contrast has substantially higher sensitivity than the conventional T1 contrast in detecting paramagnetic agents, especially at low paramagnetic agent volumetric fractions, low paramagnetic agent concentrations, and low RF amplitudes. Short pulse duration, short pulse recycle delay and efficient paramagnetic relaxation can reduce the influence of water diffusion-exchange on the paramagnetic enhancement. This study paves the way for the design of off-resonance rotating experiments to detect labeled cell clusters/tissue compartments in vivo at a sub-millimeter scale.

Arabidopsis thalianafrom Polarization Transfer Solid-State NMR

DOE Office of Scientific and Technical Information (OSTI.GOV)

White, Paul B; Wang, Tuo; Park, Yong Bum

2014-07-23

Polysaccharide-rich plant cell walls are hydrated under functional conditions, but the molecular interactions between water and polysaccharides in the wall have not been investigated. In this work, we employ polarization transfer solid-state NMR techniques to study the hydration of primary-wall polysaccharides of the model plant, Arabidopsis thaliana. By transferring water 1H polarization to polysaccharides through distance- and mobility-dependent 1H–1H dipolar couplings and detecting it through polysaccharide 13C signals, we obtain information about water proximity to cellulose, hemicellulose, and pectins as well as water mobility. Both intact and partially extracted cell wall samples are studied. Our results show that water–pectin polarizationmore » transfer is much faster than water–cellulose polarization transfer in all samples, but the extent of extraction has a profound impact on the water–polysaccharide spin diffusion. Removal of calcium ions and the consequent extraction of homogalacturonan (HG) significantly slowed down spin diffusion, while further extraction of matrix polysaccharides restored the spin diffusion rate. These trends are observed in cell walls with similar water content, thus they reflect inherent differences in the mobility and spatial distribution of water. Combined with quantitative analysis of the polysaccharide contents, our results indicate that calcium ions and HG gelation increase the amount of bound water, which facilitates spin diffusion, while calcium removal disrupts the gel and gives rise to highly dynamic water, which slows down spin diffusion. The recovery of spin diffusion rates after more extensive extraction is attributed to increased water-exposed surface areas of the polysaccharides. Water–pectin spin diffusion precedes water–cellulose spin diffusion, lending support to the single-network model of plant primary walls in which a substantial fraction of the cellulose surface is surrounded by pectins.« less

Viscous organic aerosol particles in the upper troposphere: diffusivity-controlled water uptake and ice nucleation?

DOE PAGES

Lienhard, D. M.; Huisman, A. J.; Krieger, U. K.; ...

2015-01-01

New measurements of water diffusion in secondary organic aerosol (SOA) material produced by oxidation of α-pinene and in a number of organic/inorganic model mixtures (3-methylbutane-1,2,3-tricarboxylic acid (3-MBTCA), levoglucosan, levoglucosan/NH 4HSO 4, raffinose) are presented. These indicate that water diffusion coefficients are determined by several properties of the aerosol substance and cannot be inferred from the glass transition temperature or bouncing properties. Our results suggest that water diffusion in SOA particles is faster than often assumed and imposes no significant kinetic limitation on water uptake and release at temperatures above 220 K. The fast diffusion of water suggests that heterogeneous icemore » nucleation on a glassy core is very unlikely in these systems. At temperatures below 220 K, model simulations of SOA particles suggest that heterogeneous ice nucleation may occur in the immersion mode on glassy cores which remain embedded in a liquid shell when experiencing fast updraft velocities. The particles absorb significant quantities of water during these updrafts which plasticize their outer layers such that these layers equilibrate readily with the gas phase humidity before the homogeneous ice nucleation threshold is reached. Glass formation is thus unlikely to restrict homogeneous ice nucleation. Only under most extreme conditions near the very high tropical tropopause may the homogeneous ice nucleation rate coefficient be reduced as a consequence of slow condensed-phase water diffusion. Since the differences between the behavior limited or non limited by diffusion are small even at the very high tropical tropopause, condensed-phase water diffusivity is unlikely to have significant consequences on the direct climatic effects of SOA particles under tropospheric conditions.« less

Dynamics of Nafion membrane swelling in H2O/D2O mixtures as studied using FTIR technique

NASA Astrophysics Data System (ADS)

Bunkin, Nikolai F.; Kozlov, Valeriy A.; Shkirin, Alexey V.; Ninham, Barry W.; Balashov, Anatoliy A.; Gudkov, Sergey V.

2018-03-01

Experiments with Fourier transform spectrometry of Nafion, a water-swollen polymeric membrane, are described. The transmittance spectra of liquid samples and Nafion, soaked in these samples, were studied, depending on the deuterium content in water in the spectral range 1.8-2.15 μm. The experiments were carried out using two protocols: in the first protocol we studied the dynamics of Nafion swelling in H2O + D2O mixtures for the deuterium concentrations 3 < C < 104 ppm, and in the second protocol we studied the dynamics of swelling in pure heavy water (C = 106 ppm). For liquid mixtures in the concentration range 3 < C < 104 ppm, the transmittance spectra are the same, but for Nafion soaked in these fluids, the corresponding spectra are different. It is shown that, in the range of deuterium contents C = 90-500 ppm, the behavior of transmittance of the polymer membrane is non-monotonic. In experiments using the second protocol, the dynamics of diffusion replacement of residual water, which is always present in the bulk of the polymer membrane inside closed cavities (i.e., without access to atmospheric air), were studied. The experimentally estimated diffusion coefficient for this process is ≈6.10-11 cm2/s.

Radial diffusion, vertical transport, and refixation of labeled bicarbonate in scots pine stems

NASA Astrophysics Data System (ADS)

Marshall, J. D.; Tarvainen, L.; Wallin, G.

2016-12-01

The CO2 produced by a respiring stem provides an index of metabolic activity in the stem and a quantitative estimate of an important component of the forest carbon budget. Production of CO2 by a given stem volume is lost by three competing processes. First, some diffuses radially outward through the bark. Second, some is dissolved and vertically transported upward out of the control volume by the xylem stream. Third, some is refixed by photosynthesis under the bark. The relative balance among these pathways was quantified in 17-m Scots pine trees by 13C-bicarbonate labeling of the xylem stream and monitoring of the 13CO2 in the xylem water, along with continuous monitoring of the radial diffusive flux at four canopy heights and in transpiration from leaves. Most of the label diffused out radially, as 13CO2, immediately above the labeling site, over about a week. The pulse was weakly and briefly detected 4 m above that height. Further up the stem it was not detected at all. We detected significant refixation of CO2 in the stems at all heights above 4 m, where the bark becomes papery and thin, but the label was so weak at this height that refixation had little influence on the pulse chase. We conclude that the vertical flux is negligible in Scots pine, but that the refixation flux must be accounted for in estimates of whole-stem CO2 efflux.

Ion Diffusion Within Water Films in Unsaturated Porous Media.

PubMed

Tokunaga, Tetsu K; Finsterle, Stefan; Kim, Yongman; Wan, Jiamin; Lanzirotti, Antonio; Newville, Matthew

2017-04-18

Diffusion is important in controlling local solute transport and reactions in unsaturated soils and geologic formations. Although it is commonly assumed that thinning of water films controls solute diffusion at low water contents, transport under these conditions is not well understood. We conducted experiments in quartz sands at low volumetric water contents (θ) to quantify ion diffusion within adsorbed films. At the lowest water contents, we employed fixed relative humidities to control water films at nm thicknesses. Diffusion profiles for Rb + and Br - in unsaturated sand packs were measured with a synchrotron X-ray microprobe, and inverse modeling was used to determine effective diffusion coefficients, D e, as low as ∼9 × 10 -15 m 2 s -1 at θ = 1.0 × 10 -4 m 3 m -3 , where the film thickness = 0.9 nm. Given that the diffusion coefficients (D o ) of Rb + and Br - in bulk water (30 °C) are both ∼2.4 × 10 -9 m 2 s -1 , we found the impedance factor f = D e /(θD o ) is equal to 0.03 ± 0.02 at this very low saturation, in agreement with the predicted influence of interface tortuosity (τ a ) for diffusion along grain surfaces. Thus, reduced cross-sectional area (θ) and tortuosity largely accounted for the more than 5 orders of magnitude decrease in D e relative to D o as desaturation progressed down to nanoscale films.

Estimate of aquifer properties by numerically simulating ground-water/surface-water interactions, Fort Wainwright, Alaska

USGS Publications Warehouse

Nakanishi, Allen S.; Lilly, Michael R.

1998-01-01

MODFLOW, a finite-difference model of ground-water flow, was used to simulate the flow of water between the aquifer and the Chena River at Fort Wainwright, Alaska. The model was calibrated by comparing simulated ground-water hydrographs to those recorded in wells during periods of fluctuating river levels. The best fit between simulated and observed hydrographs occurred for the following: 20 feet per day for vertical hydraulic conductivity, 400 feet per day for horizontal hydraulic conductivity, 1:20 for anisotropy (vertical to horizontal hydraulic conductivity), and 350 per feet for riverbed conductance. These values include a 30 percent adjustment for geometry effects. The estimated values for hydraulic conductivities of the alluvium are based on assumed values of 0.25 for specific yield and 0.000001 per foot for specific storage of the alluvium; the values assumed for bedrock are 0.1 foot per day horizontal hydraulic conductivity, 0.005 foot per day vertical hydraulic conductivity, and 0.0000001 per foot for specific storage. The resulting diffusivity for the alluvial aquifer is 1,600 feet per day. The estimated values of these hydraulic properties are nearly proportional to the assumed value of specific yield. These values were not found to be sensitive to the assumed values for bedrock. The hydrologic parameters estimated using the cross-sectional model are only valid when taken in context with the other values (both estimated and assumed) used in this study. The model simulates horizontal and vertical flow directions near the river during periods of varying river stage. This information is useful for interpreting bank-storage effects, including the flow of contaminants in the aquifer near the river.

A Device to Emulate Diffusion and Thermal Conductivity Using Water Flow

ERIC Educational Resources Information Center

Blanck, Harvey F.

2005-01-01

A device designed to emulate diffusion and thermal conductivity using flowing water is reviewed. Water flowing through a series of cells connected by a small tube in each partition in this plastic model is capable of emulating diffusion and thermal conductivity that occurs in variety of systems described by several mathematical equations.

Aspects of numerical and representational methods related to the finite-difference simulation of advective and dispersive transport of freshwater in a thin brackish aquifer

USGS Publications Warehouse

Merritt, M.L.

1993-01-01

The simulation of the transport of injected freshwater in a thin brackish aquifer, overlain and underlain by confining layers containing more saline water, is shown to be influenced by the choice of the finite-difference approximation method, the algorithm for representing vertical advective and dispersive fluxes, and the values assigned to parametric coefficients that specify the degree of vertical dispersion and molecular diffusion that occurs. Computed potable water recovery efficiencies will differ depending upon the choice of algorithm and approximation method, as will dispersion coefficients estimated based on the calibration of simulations to match measured data. A comparison of centered and backward finite-difference approximation methods shows that substantially different transition zones between injected and native waters are depicted by the different methods, and computed recovery efficiencies vary greatly. Standard and experimental algorithms and a variety of values for molecular diffusivity, transverse dispersivity, and vertical scaling factor were compared in simulations of freshwater storage in a thin brackish aquifer. Computed recovery efficiencies vary considerably, and appreciable differences are observed in the distribution of injected freshwater in the various cases tested. The results demonstrate both a qualitatively different description of transport using the experimental algorithms and the interrelated influences of molecular diffusion and transverse dispersion on simulated recovery efficiency. When simulating natural aquifer flow in cross-section, flushing of the aquifer occurred for all tested coefficient choices using both standard and experimental algorithms. ?? 1993.

Microstructural imaging of the human brain with a 'super-scanner': 10 key advantages of ultra-strong gradients for diffusion MRI.

PubMed

Jones, D K; Alexander, D C; Bowtell, R; Cercignani, M; Dell'Acqua, F; McHugh, D J; Miller, K L; Palombo, M; Parker, G J M; Rudrapatna, U S; Tax, C M W

2018-05-22

The key component of a microstructural diffusion MRI 'super-scanner' is a dedicated high-strength gradient system that enables stronger diffusion weightings per unit time compared to conventional gradient designs. This can, in turn, drastically shorten the time needed for diffusion encoding, increase the signal-to-noise ratio, and facilitate measurements at shorter diffusion times. This review, written from the perspective of the UK National Facility for In Vivo MR Imaging of Human Tissue Microstructure, an initiative to establish a shared 300 mT/m-gradient facility amongst the microstructural imaging community, describes ten advantages of ultra-strong gradients for microstructural imaging. Specifically, we will discuss how the increase of the accessible measurement space compared to a lower-gradient systems (in terms of Δ, b-value, and TE) can accelerate developments in the areas of 1) axon diameter distribution mapping; 2) microstructural parameter estimation; 3) mapping micro-vs macroscopic anisotropy features with gradient waveforms beyond a single pair of pulsed-gradients; 4) multi-contrast experiments, e.g. diffusion-relaxometry; 5) tractography and high-resolution imaging in vivo and 6) post mortem; 7) diffusion-weighted spectroscopy of metabolites other than water; 8) tumour characterisation; 9) functional diffusion MRI; and 10) quality enhancement of images acquired on lower-gradient systems. We finally discuss practical barriers in the use of ultra-strong gradients, and provide an outlook on the next generation of 'super-scanners'. Copyright © 2018. Published by Elsevier Inc.

Potential for advection of volatile organic compounds in ground water to the Cochato River, Baird & McGuire Superfund Site, Holbrook, Massachusetts, March and April 1998

USGS Publications Warehouse

Savoie, Jennifer G.; Lyford, Forest P.; Clifford, Scott

1999-01-01

In March and April 1998, a network of water-to-vapor diffusion samplers was installed along the Cochato River at the Baird & McGuire Superfund Site in Holbrook, Massachusetts, where a plume of volatile organic compounds (VOCs) is present in ground water. The purpose of installing the sampler network was to determine if VOCs were present in river-bottom sediments while a ground-water extraction system was operating and after the system had been shut down for two weeks. Water-to-water diffusion samplers placed at selected locations provided supplemental information about concentrations of VOCs in pore water in the river-bottom sediments. Water levels in piezometers and river stage were measured concurrently to determine if ground water was discharging to the river. Benzene, toluene, ethylbenzene and xylenes (BTEX compounds) were detected in water-tovapor and water-to-water diffusion samplers located in the area where the plume is known to pass beneath the river for both pumping and nonpumping conditions. Concentrations of total BTEX compounds in water-to-vapor diffusion samplers ranged from non-detect upriver and downriver from the plume area to greater than 200 parts per million by volume in the plume area. Concentrations of total BTEX compounds were not significantly different for pumping than for non-pumping conditions. Concentrations of total BTEX compounds in water-to-water diffusion samplers ranged from non-detect to 680 micrograms per liter. The limited number of water-to-water diffusion samplers did not indicate that concentrations were higher for pumping or non-pumping conditions. Trichloroethylene and tetrachloroethylene also were detected in water-to-vapor diffusion samplers downriver from the area where the BTEX compounds were detected. Water levels in four piezometers were consistently higher than the river stage, indicating an upward hydraulic gradient and ground-water discharge to the river. The concentrations of VOCs in riverbottom sediments and the upward hydraulic gradients observed indicate that contaminants from the Baird & McGuire ground-water plume were discharging to the Cochato River during the study period for both pumping and non-pumping conditions. 

Descriptions and characterizations of water-level data and groundwater flow for the Brewster Boulevard and Castle Hayne Aquifer Systems and the Tarawa Terrace Aquifer

USGS Publications Warehouse

Faye, Robert E.; Jones, L. Elliott; Suárez-Soto, René J.

2013-01-01

This supplement of Chapter A (Supplement 3) summarizes results of analyses of groundwater-level data and describes corresponding elements of groundwater flow such as vertical hydraulic gradients useful for groundwater-flow model calibration. Field data as well as theoretical concepts indicate that potentiometric surfaces within the study area are shown to resemble to a large degree a subdued replica of surface topography. Consequently, precipitation that infiltrates to the water table flows laterally from highland to lowland areas and eventually discharges to streams such as Northeast and Wallace Creeks and New River. Vertically downward hydraulic gradients occur in highland areas resulting in the transfer of groundwater from shallow relatively unconfined aquifers to underlying confined or semi-confined aquifers. Conversely, in the vicinity of large streams such as Wallace and Frenchs Creeks, diffuse upward leakage occurs from underlying confined or semi-confined aquifers. Point water-level data indicating water-table altitudes, water-table altitudes estimated using a regression equation, and estimates of stream levels determined from a digital elevation model (DEM) and topographic maps were used to estimate a predevelopment water-table surface in the study area. Approximate flow lines along hydraulic gradients are shown on a predevelopment potentiometric surface map and extend from highland areas where potentiometric levels are greatest toward streams such as Wallace Creek and Northeast Creek. The distribution of potentiometric levels and corresponding groundwater-flow directions conform closely to related descriptions of the conceptual model.

Bioheat model evaluations of laser effects on tissues: role of water evaporation and diffusion

NASA Astrophysics Data System (ADS)

Nagulapally, Deepthi; Joshi, Ravi P.; Thomas, Robert J.

2011-03-01

A two-dimensional, time-dependent bioheat model is applied to evaluate changes in temperature and water content in tissues subjected to laser irradiation. Our approach takes account of liquid-to-vapor phase changes and a simple diffusive flow of water within the biotissue. An energy balance equation considers blood perfusion, metabolic heat generation, laser absorption, and water evaporation. The model also accounts for the water dependence of tissue properties (both thermal and optical), and variations in blood perfusion rates based on local tissue injury. Our calculations show that water diffusion would reduce the local temperature increases and hot spots in comparison to simple models that ignore the role of water in the overall thermal and mass transport. Also, the reduced suppression of perfusion rates due to tissue heating and damage with water diffusion affect the necrotic depth. Two-dimensional results for the dynamic temperature, water content, and damage distributions will be presented for skin simulations. It is argued that reduction in temperature gradients due to water diffusion would mitigate local refractive index variations, and hence influence the phenomenon of thermal lensing. Finally, simple quantitative evaluations of pressure increases within the tissue due to laser absorption are presented.

Seasonal Variability in Global Eddy Diffusion and the Effect on Thermospheric Neutral Density

NASA Astrophysics Data System (ADS)

Pilinski, M.; Crowley, G.

2014-12-01

We describe a method for making single-satellite estimates of the seasonal variability in global-average eddy diffusion coefficients. Eddy diffusion values as a function of time between January 2004 and January 2008 were estimated from residuals of neutral density measurements made by the CHallenging Minisatellite Payload (CHAMP) and simulations made using the Thermosphere Ionosphere Mesosphere Electrodynamics - Global Circulation Model (TIME-GCM). The eddy diffusion coefficient results are quantitatively consistent with previous estimates based on satellite drag observations and are qualitatively consistent with other measurement methods such as sodium lidar observations and eddy-diffusivity models. The eddy diffusion coefficient values estimated between January 2004 and January 2008 were then used to generate new TIME-GCM results. Based on these results, the RMS difference between the TIME-GCM model and density data from a variety of satellites is reduced by an average of 5%. This result, indicates that global thermospheric density modeling can be improved by using data from a single satellite like CHAMP. This approach also demonstrates how eddy diffusion could be estimated in near real-time from satellite observations and used to drive a global circulation model like TIME-GCM. Although the use of global values improves modeled neutral densities, there are some limitations of this method, which are discussed, including that the latitude-dependence of the seasonal neutral-density signal is not completely captured by a global variation of eddy diffusion coefficients. This demonstrates the need for a latitude-dependent specification of eddy diffusion consistent with diffusion observations made by other techniques.

Seasonal variability in global eddy diffusion and the effect on neutral density

NASA Astrophysics Data System (ADS)

Pilinski, M. D.; Crowley, G.

2015-04-01

We describe a method for making single-satellite estimates of the seasonal variability in global-average eddy diffusion coefficients. Eddy diffusion values as a function of time were estimated from residuals of neutral density measurements made by the Challenging Minisatellite Payload (CHAMP) and simulations made using the thermosphere-ionosphere-mesosphere electrodynamics global circulation model (TIME-GCM). The eddy diffusion coefficient results are quantitatively consistent with previous estimates based on satellite drag observations and are qualitatively consistent with other measurement methods such as sodium lidar observations and eddy diffusivity models. Eddy diffusion coefficient values estimated between January 2004 and January 2008 were then used to generate new TIME-GCM results. Based on these results, the root-mean-square sum for the TIME-GCM model is reduced by an average of 5% when compared to density data from a variety of satellites, indicating that the fidelity of global density modeling can be improved by using data from a single satellite like CHAMP. This approach also demonstrates that eddy diffusion could be estimated in near real-time from satellite observations and used to drive a global circulation model like TIME-GCM. Although the use of global values improves modeled neutral densities, there are limitations to this method, which are discussed, including that the latitude dependence of the seasonal neutral-density signal is not completely captured by a global variation of eddy diffusion coefficients. This demonstrates the need for a latitude-dependent specification of eddy diffusion which is also consistent with diffusion observations made by other techniques.

The contribution of runoff to recharge rates in a semiarid to subhumid carbonated aquifer. A case study from the Sierra de Gador, SE Spain.

NASA Astrophysics Data System (ADS)

Frot, E.; Contreras, S.; Alcala, F. J.; Solé, A.; van Wesemael, B.

2009-04-01

Two general pathways exist for recharge in carbonated aquifers: i) diffuse percolation from the base of the soil profile and ii) concentrated infiltration of surface water in favourable zones such as ephemeral stream beds and widened cracks in partly dissolved limestone. It has been shown that for large semi arid regions diffuse percolation can be assessed from the water balance i.e. the difference in precipitation and evapotranspiration. Recently, methods have been developed to assess the water balance at the regional scale based on the spatial distribution of rainfall and vegetation indices, the latter as a proxy for evapotranspiration. Concentration of surface water occurs during moderate to heavy rainfall events as a result of runoff generation from impermeable or low permeable areas, or partially controlled by slope when permeable rock outcrops. It has been shown that the large carbonate aquifer system of the Sierra de Gador, underlayered by the Campo de Dalias coastal plain, is fed preferentially during storms with a return period of more than 1-5 years. However, as a result of the volume of the aquifer, its unknown response time and the infrequent occurrence of such events, no evaluation of the relative contribution of diffuse versus concentrated recharge can be made. Therefore, different methodological approaches are applied to assess the role that both type of recharge mechanisms (diffuse and concentrated) have on the water yield of a single semiarid catchment which is drained by a regional spring of Celin. The study catchment covers a surface of c.26 km² ranging from the footslopes at 580 m a.s.l. to the summit of the Sierra de Gador at 2200 m a.s.l. The average potential recharge varies from more than 250 mm/year in summit areas to less than 50 mm/year in the bottom of the range. Runoff will be calculated using a spatially distributed rainfall/runoff model that was calibrated on water harvesting systems draining the representative combination of vegetation, rock outcrop and soil types within the Sierra de Gador. An altitudinal gradient of runoff to concavities and stream beds will be calculated for moderate storms (return period 1 year) under wet, normal and dry antecedent moisture conditions in order to estimate concentrated recharge. Furthermore, gradients as a result of diffuse recharge based on the spatial modelling of the water balance will be calculated based on the method of Contreras et al. (2008). Both gradients will be checked with those obtained by isotopic techniques, focussed to know the source of recharge, and by conservative chemical balances to quantify diffuse recharge rates in local springs at several altitudes. Under steady-state conditions, the bulk solutes mass discharged in Celin spring integrates flow mass derived from diffuse recharge by rainfall at several altitudes plus mass flow from concentrated recharge by runoff. These results give more insights about the relative contribution of both pathways to recharge in semiarid carbonate aquifers. An understanding of the relative contribution of these pathways along altitude is essential for implementing measures to increase recharge artificially.

Molecular Dynamic Simulation of Water Vapor and Determination of Diffusion Characteristics in the Pore

NASA Astrophysics Data System (ADS)

Nikonov, Eduard G.; Pavluš, Miron; Popovičová, Mária

2018-02-01

One of the varieties of pores, often found in natural or artificial building materials, are the so-called blind pores of dead-end or saccate type. Three-dimensional model of such kind of pore has been developed in this work. This model has been used for simulation of water vapor interaction with individual pore by molecular dynamics in combination with the diffusion equation method. Special investigations have been done to find dependencies between thermostats implementations and conservation of thermodynamic and statistical values of water vapor - pore system. The two types of evolution of water - pore system have been investigated: drying and wetting of the pore. Full research of diffusion coefficient, diffusion velocity and other diffusion parameters has been made.

Methylmercury Mass Budgets and Distribution Characteristics in the Western Pacific Ocean.

PubMed

Kim, Hyunji; Soerensen, Anne L; Hur, Jin; Heimbürger, Lars-Eric; Hahm, Doshik; Rhee, Tae Siek; Noh, Seam; Han, Seunghee

2017-02-07

Methylmercury (MeHg) accumulation in marine organisms poses serious ecosystem and human health risk, yet the sources of MeHg in the surface and subsurface ocean remain uncertain. Here, we report the first MeHg mass budgets for the Western Pacific Ocean estimated based on cruise observations. We found the major net source of MeHg in surface water to be vertical diffusion from the subsurface layer (1.8-12 nmol m -2  yr -1 ). A higher upward diffusion in the North Pacific (12 nmol m -2  yr -1 ) than in the Equatorial Pacific (1.8-5.7 nmol m -2  yr -1 ) caused elevated surface MeHg concentrations observed in the North Pacific. We furthermore found that the slope of the linear regression line for MeHg versus apparent oxygen utilization in the Equatorial Pacific was about 2-fold higher than that in the North Pacific. We suggest this could be explained by redistribution of surface water in the tropical convergence-divergence zone, supporting active organic carbon decomposition in the Equatorial Pacific Ocean. On the basis of this study, we predict oceanic regions with high organic carbon remineralization to have enhanced MeHg concentrations in both surface and subsurface waters.

Simultaneous Analysis and Quality Assurance for Diffusion Tensor Imaging

PubMed Central

Lauzon, Carolyn B.; Asman, Andrew J.; Esparza, Michael L.; Burns, Scott S.; Fan, Qiuyun; Gao, Yurui; Anderson, Adam W.; Davis, Nicole; Cutting, Laurie E.; Landman, Bennett A.

2013-01-01

Diffusion tensor imaging (DTI) enables non-invasive, cyto-architectural mapping of in vivo tissue microarchitecture through voxel-wise mathematical modeling of multiple magnetic resonance imaging (MRI) acquisitions, each differently sensitized to water diffusion. DTI computations are fundamentally estimation processes and are sensitive to noise and artifacts. Despite widespread adoption in the neuroimaging community, maintaining consistent DTI data quality remains challenging given the propensity for patient motion, artifacts associated with fast imaging techniques, and the possibility of hardware changes/failures. Furthermore, the quantity of data acquired per voxel, the non-linear estimation process, and numerous potential use cases complicate traditional visual data inspection approaches. Currently, quality inspection of DTI data has relied on visual inspection and individual processing in DTI analysis software programs (e.g. DTIPrep, DTI-studio). However, recent advances in applied statistical methods have yielded several different metrics to assess noise level, artifact propensity, quality of tensor fit, variance of estimated measures, and bias in estimated measures. To date, these metrics have been largely studied in isolation. Herein, we select complementary metrics for integration into an automatic DTI analysis and quality assurance pipeline. The pipeline completes in 24 hours, stores statistical outputs, and produces a graphical summary quality analysis (QA) report. We assess the utility of this streamlined approach for empirical quality assessment on 608 DTI datasets from pediatric neuroimaging studies. The efficiency and accuracy of quality analysis using the proposed pipeline is compared with quality analysis based on visual inspection. The unified pipeline is found to save a statistically significant amount of time (over 70%) while improving the consistency of QA between a DTI expert and a pool of research associates. Projection of QA metrics to a low dimensional manifold reveal qualitative, but clear, QA-study associations and suggest that automated outlier/anomaly detection would be feasible. PMID:23637895

Simultaneous analysis and quality assurance for diffusion tensor imaging.

PubMed

Lauzon, Carolyn B; Asman, Andrew J; Esparza, Michael L; Burns, Scott S; Fan, Qiuyun; Gao, Yurui; Anderson, Adam W; Davis, Nicole; Cutting, Laurie E; Landman, Bennett A

2013-01-01

Diffusion tensor imaging (DTI) enables non-invasive, cyto-architectural mapping of in vivo tissue microarchitecture through voxel-wise mathematical modeling of multiple magnetic resonance imaging (MRI) acquisitions, each differently sensitized to water diffusion. DTI computations are fundamentally estimation processes and are sensitive to noise and artifacts. Despite widespread adoption in the neuroimaging community, maintaining consistent DTI data quality remains challenging given the propensity for patient motion, artifacts associated with fast imaging techniques, and the possibility of hardware changes/failures. Furthermore, the quantity of data acquired per voxel, the non-linear estimation process, and numerous potential use cases complicate traditional visual data inspection approaches. Currently, quality inspection of DTI data has relied on visual inspection and individual processing in DTI analysis software programs (e.g. DTIPrep, DTI-studio). However, recent advances in applied statistical methods have yielded several different metrics to assess noise level, artifact propensity, quality of tensor fit, variance of estimated measures, and bias in estimated measures. To date, these metrics have been largely studied in isolation. Herein, we select complementary metrics for integration into an automatic DTI analysis and quality assurance pipeline. The pipeline completes in 24 hours, stores statistical outputs, and produces a graphical summary quality analysis (QA) report. We assess the utility of this streamlined approach for empirical quality assessment on 608 DTI datasets from pediatric neuroimaging studies. The efficiency and accuracy of quality analysis using the proposed pipeline is compared with quality analysis based on visual inspection. The unified pipeline is found to save a statistically significant amount of time (over 70%) while improving the consistency of QA between a DTI expert and a pool of research associates. Projection of QA metrics to a low dimensional manifold reveal qualitative, but clear, QA-study associations and suggest that automated outlier/anomaly detection would be feasible.

Spatio-temporal variability of lake CH4 fluxes and its influence on annual estimates

NASA Astrophysics Data System (ADS)

Natchimuthu, S.; Sundgren, I.; Gålfalk, M.; Klemedtsson, L.; Crill, P. M.; Danielsson, Å.; Bastviken, D.

2014-12-01

Lakes are major sources of methane (CH4) to the atmosphere and it has been shown that lakes contribute significantly to the global CH4 budget. However, the data behind these global estimates are snapshots in time and space only and they typically lack information on spatial and temporal variability of fluxes which can potentially lead to biased estimates. Recent studies have shown that diffusive flux, gas exchange velocity (k), ebullition and concentration of CH4 in the surface water can vary significantly in space within lakes. CH4 fluxes can also change at a broad range of temporal scales in response to seasons, temperature, lake mixing events, short term weather events like pressure variations, shifting winds and diel cycles. We sampled CH4 fluxes and surface water concentrations from three lakes of differing characteristics in southwest Sweden over two annual cycles, approximately every 14 days from April to October 2012 and from April to November 2013. CH4 fluxes were measured using floating chambers distributed in the lakes based on depth categories and dissolved CH4 concentrations were determined by a headspace equilibration method. We observed significant differences in CH4 concentration, diffusion, ebullition and total fluxes between and within the lakes. The fluxes increased exponentially with temperature in all three lakes and water temperature, for example, explained 53-78% of variations in total fluxes in the lakes. Based on our data which relied on improved spatial and temporal information, we demonstrate that measurements which do not take into account of the spatial variability in the lakes could substantially bias the whole lake estimates. For instance, in one of the lakes, measurements from the central parts of the lake represented only 58% of our estimates from all chambers on an average. In addition, we consider how intensive sampling in one season of the year may affect the annual estimates due to the complex interaction of temperature, air pressure and lake mixing events on CH4 fluxes. For example, samples collected when the average air temperatures during chamber deployments were above 15 °C overestimated the total fluxes by 17-157% in all lakes when compared to averages from all measurement times.

Metal Accretion onto White Dwarfs. I. The Approximate Approach Based on Estimates of Diffusion Timescales

NASA Astrophysics Data System (ADS)

Fontaine, G.; Brassard, P.; Dufour, P.; Tremblay, P.-E.

2015-06-01

The accretion-diffusion picture is the model par excellence for describing the presence of planetary debris polluting the atmospheres of relatively cool white dwarfs. Some important insights into the process may be derived using an approximate approach which combines static stellar models with estimates of diffusion timescales at the base of the outer convection zone or, in its absence, at the photosphere. Until recently, and to our knowledge, values of diffusion timescales in white dwarfs have all been obtained on the basis of the same physics as that developed initially by Paquette et al., including their diffusion coefficients and thermal diffusion coefficients. In view of the recent exciting discoveries of a plethora of metals (including some never seen before) polluting the atmospheres of an increasing number of cool white dwarfs, we felt that a new look at the estimates of settling timescales would be worthwhile. We thus provide improved estimates of diffusion timescales for all 27 elements from Li to Cu in the periodic table in a wide range of the surface gravity-effective temperature domain and for both DA and non-DA stars.

Anomalous Diffusion of Water in Lamellar Membranes Formed by Pluronic Polymers

NASA Astrophysics Data System (ADS)

Zhang, Zhe; Ohl, Michael; Han, Youngkyu; Smith, Gregory; Do, Changwoo; Biology; Soft-Matter Division, Oak Ridge National Laboratory Team; Julich CenterNeutron Science Team

Water diffusion is playing an important role in polymer systems. We calculated the water diffusion coefficient at different layers along z-direction which is perpendicular to the lamellar membrane formed by Pluronic block copolymers (L62: (EO6-PO34-EO6)) with the molecular dynamics simulation trajectories. Water molecules at bulk layers are following the normal diffusion, while that at hydration layers formed by polyethylene oxide (PEO) and hydrophobic layers formed by polypropylene oxide (PPO) are following anomalous diffusion. We find that although the subdiffusive regimes at PEO layers and PPO layers are the same, which is the fractional Brownian motion, however, the dynamics are different, i.e. diffusion at the PEO layers is much faster than that at the PPO layers, and meanwhile it exhibits a normal diffusive approximation within a short time period which is governed by the localized free self-diffusion, but becomes subdiffusive after t >8 ps, which is governed by the viscoelastic medium. The Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; and Zhe Zhang gratefully acknowledges financial support from Julich Center for Neutron Science.

Simultaneous Rapid Determination of the Solubility and Diffusion Coefficients of a Poorly Water-Soluble Drug Based on a Novel UV Imaging System.

PubMed

Lu, Yan; Li, Mingzhong

2016-01-01

The solubility and diffusion coefficient are two of the most important physicochemical properties of a drug compound. In practice, both have been measured separately, which is time consuming. This work utilizes a novel technique of UV imaging to determine the solubility and diffusion coefficients of poorly water-soluble drugs simultaneously. A 2-step optimal method is proposed to determine the solubility and diffusion coefficients of a poorly water-soluble pharmaceutical substance based on the Fick's second law of diffusion and UV imaging measurements. Experimental results demonstrate that the proposed method can be used to determine the solubility and diffusion coefficients of a drug with reasonable accuracy, indicating that UV imaging may provide a new opportunity to accurately measure the solubility and diffusion coefficients of a poorly water-soluble drug simultaneously and rapidly. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Combined inverse-forward artificial neural networks for fast and accurate estimation of the diffusion coefficients of cartilage based on multi-physics models.

PubMed

Arbabi, Vahid; Pouran, Behdad; Weinans, Harrie; Zadpoor, Amir A

2016-09-06

Analytical and numerical methods have been used to extract essential engineering parameters such as elastic modulus, Poisson׳s ratio, permeability and diffusion coefficient from experimental data in various types of biological tissues. The major limitation associated with analytical techniques is that they are often only applicable to problems with simplified assumptions. Numerical multi-physics methods, on the other hand, enable minimizing the simplified assumptions but require substantial computational expertise, which is not always available. In this paper, we propose a novel approach that combines inverse and forward artificial neural networks (ANNs) which enables fast and accurate estimation of the diffusion coefficient of cartilage without any need for computational modeling. In this approach, an inverse ANN is trained using our multi-zone biphasic-solute finite-bath computational model of diffusion in cartilage to estimate the diffusion coefficient of the various zones of cartilage given the concentration-time curves. Robust estimation of the diffusion coefficients, however, requires introducing certain levels of stochastic variations during the training process. Determining the required level of stochastic variation is performed by coupling the inverse ANN with a forward ANN that receives the diffusion coefficient as input and returns the concentration-time curve as output. Combined together, forward-inverse ANNs enable computationally inexperienced users to obtain accurate and fast estimation of the diffusion coefficients of cartilage zones. The diffusion coefficients estimated using the proposed approach are compared with those determined using direct scanning of the parameter space as the optimization approach. It has been shown that both approaches yield comparable results. Copyright © 2016 Elsevier Ltd. All rights reserved.

An accurate computational method for the diffusion regime verification

NASA Astrophysics Data System (ADS)

Zhokh, Alexey A.; Strizhak, Peter E.

2018-04-01

The diffusion regime (sub-diffusive, standard, or super-diffusive) is defined by the order of the derivative in the corresponding transport equation. We develop an accurate computational method for the direct estimation of the diffusion regime. The method is based on the derivative order estimation using the asymptotic analytic solutions of the diffusion equation with the integer order and the time-fractional derivatives. The robustness and the computational cheapness of the proposed method are verified using the experimental methane and methyl alcohol transport kinetics through the catalyst pellet.

Investigation of the dynamics of aqueous proline solutions using neutron scattering and molecular dynamics simulations.

PubMed

Malo de Molina, Paula; Alvarez, Fernando; Frick, Bernhard; Wildes, Andrew; Arbe, Arantxa; Colmenero, Juan

2017-10-18

We applied quasielastic neutron scattering (QENS) techniques to samples with two different contrasts (deuterated solute/hydrogenated solvent and the opposite label) to selectively study the component dynamics of proline/water solutions. Results on diluted and concentrated solutions (31 and 6 water molecules/proline molecule, respectively) were analyzed in terms of the susceptibility and considering a recently proposed model for water dynamics [Arbe et al., Phys. Rev. Lett., 2016, 117, 185501] which includes vibrations and the convolution of localized motions and diffusion. We found that proline molecules not only reduce the average diffusion coefficient of water but also extend the time/frequency range of the crossover region ('cage') between the vibrations and purely diffusive behavior. For the high proline concentration we also found experimental evidence of water heterogeneous dynamics and a distribution of diffusion coefficients. Complementary molecular dynamics simulations show that water molecules start to perform rotational diffusion when they escape the cage regime but before the purely diffusive behavior is established. The rotational diffusion regime is also retarded by the presence of proline molecules. On the other hand, a strong coupling between proline and water diffusive dynamics which persists with decreasing temperature is directly observed using QENS. Not only are the temperature dependences of the diffusion coefficients of both components the same, but their absolute values also approach each other with increasing proline concentration. We compared our results with those reported using other techniques, in particular using dielectric spectroscopy (DS). A simple approach based on molecular hydrodynamics and a molecular treatment of DS allows rationalizing the a priori puzzling inconsistency between QENS and dielectric results regarding the dynamic coupling of the two components. The interpretation proposed is based on general grounds and therefore should be applicable to other biomolecular solutions.

On the asymptotic behavior of a subcritical convection-diffusion equation with nonlocal diffusion

NASA Astrophysics Data System (ADS)

Cazacu, Cristian M.; Ignat, Liviu I.; Pazoto, Ademir F.

2017-08-01

In this paper we consider a subcritical model that involves nonlocal diffusion and a classical convective term. In spite of the nonlocal diffusion, we obtain an Oleinik type estimate similar to the case when the diffusion is local. First we prove that the entropy solution can be obtained by adding a small viscous term μ uxx and letting μ\\to 0 . Then, by using uniform Oleinik estimates for the viscous approximation we are able to prove the well-posedness of the entropy solutions with L 1-initial data. Using a scaling argument and hyperbolic estimates given by Oleinik’s inequality, we obtain the first term in the asymptotic behavior of the nonnegative solutions. Finally, the large time behavior of changing sign solutions is proved using the classical flux-entropy method and estimates for the nonlocal operator.

In situ diffusion experiment in granite: Phase I

NASA Astrophysics Data System (ADS)

Vilks, P.; Cramer, J. J.; Jensen, M.; Miller, N. H.; Miller, H. G.; Stanchell, F. W.

2003-03-01

A program of in situ experiments, supported by laboratory studies, was initiated to study diffusion in sparsely fractured rock (SFR), with a goal of developing an understanding of diffusion processes within intact crystalline rock. Phase I of the in situ diffusion experiment was started in 1996, with the purpose of developing a methodology for estimating diffusion parameter values. Four in situ diffusion experiments, using a conservative iodide tracer, were performed in highly stressed SFR at a depth of 450 m in the Underground Research Laboratory (URL). The experiments, performed over a 2 year period, yielded rock permeability estimates of 2×10 -21 m 2 and effective diffusion coefficients varying from 2.1×10 -14 to 1.9×10 -13 m 2/s, which were estimated using the MOTIF code. The in situ diffusion profiles reveal a characteristic "dog leg" pattern, with iodide concentrations decreasing rapidly within a centimeter of the open borehole wall. It is hypothesized that this is an artifact of local stress redistribution and creation of a zone of increased constrictivity close to the borehole wall. A comparison of estimated in situ and laboratory diffusivities and permeabilities provides evidence that the physical properties of rock samples removed from high-stress regimes change. As a result of the lessons learnt during Phase I, a Phase II in situ program has been initiated to improve our general understanding of diffusion in SFR.

Using carbon isotope fractionation for an improved quantification of CH4 oxidation efficiency in Arctic peatlands

NASA Astrophysics Data System (ADS)

Preuss, I.; Knoblauch, C.; Gebert, J.; Pfeiffer, E.-M.

2012-04-01

Much research effort is focused on identifying global CH4 sources and sinks to estimate their current and potential strength in response to land-use change and global warming. Aerobic CH4 oxidation is regarded as the key process reducing the strength of CH4 emissions in wetlands, but is hitherto difficult to quantify. Recent studies quantify the efficiency of CH4 oxidation based on CH4 stable isotope signatures. The approach utilizes the fact that a significant isotope fractionation occurs when CH4 is oxidized. Moreover, it also considers isotope fractionation by diffusion. For field applications the 'open-system equation' is applied to determine the CH4 oxidation efficiency: fox = (δE - δP)/ (αox - αtrans) where fox is the fraction of CH4 oxidized; δE is δ13C of emitted CH4; δP is δ13C of produced CH4; αox is the isotopic fractionation factor of oxidation; αtrans is the isotopic fractionation factor of transport. We quantified CH4 oxidation in polygonal tundra soils of Russia's Lena River Delta analyzing depth profiles of CH4 concentrations and stable isotope signatures. Therefore, both fractionation factors αox and αtrans were determined for three polygon centers with differing water table positions and a polygon rim. While most previous studies on landfill cover soils have assumed a gas transport dominated by advection (αtrans = 1), other CH4 transport mechanisms as diffusion have to be considered in peatlands and αtrans exceeds a value of 1. At our study we determined αtrans = 1.013 ± 0.003 for CH4 when diffusion is the predominant transport mechanism. Furthermore, results showed that αox differs widely between sites and horizons (αox = 1.013 ± 0.012) and has to be determined for each case. The impact of both fractionation factors on the quantification of CH4 oxidation was estimated by considering both the potential diffusion rate at different water contents and potential oxidation rates. Calculations for a water saturated tundra soil indicated a CH4 oxidation efficiency of 88% in the upper horizon. Using carbon isotope fractionation improves the in situ quantification of CH4 oxidation in wetlands and thus the assessment of current and potential CH4 sources and sinks in these ecosystems.

Vertical Redistribution of Ocean Salt Content

NASA Astrophysics Data System (ADS)

Liang, X.; Liu, C.; Ponte, R. M.; Piecuch, C. G.

2017-12-01

Ocean salinity is an important proxy for change and variability in the global water cycle. Multi-decadal trends have been observed in both surface and subsurface salinity in the past decades, and are usually attributed to the change in air-sea freshwater flux. Although air-sea freshwater flux, a major component of the global water cycle, certainly contributes to the change in surface and upper ocean salinity, the salt redistribution inside the ocean can affect the surface and upper ocean salinity as well. Also, the mechanisms controlling the surface and upper ocean salinity changes likely depend on timescales. Here we examined the ocean salinity changes as well as the contribution of the vertical redistribution of salt with a 20-year dynamically consistent and data-constrained ocean state estimate (ECCO: Estimating Circulation and Climate of the Ocean). A decrease in the spatial mean upper ocean salinity and an upward salt flux inside the ocean were observed. These findings indicate that over 1992-2011, surface freshwater fluxes contribute to the decrease in spatial mean upper ocean salinity and are partly compensated by the vertical redistribution of salt inside the ocean. Between advection and diffusion, the two major processes determining the vertical exchange of salt, the advective term at different depths shows a downward transport, while the diffusive term is the dominant upward transport contributor. These results suggest that the salt transport in the ocean interior should be considered in interpreting the observed surface and upper ocean salinity changes, as well as inferring information about the changes in the global water cycle.

Anisotropic diffusion of fluorescently labeled ATP in rat cardiomyocytes determined by raster image correlation spectroscopy

PubMed Central

Vendelin, Marko; Birkedal, Rikke

2008-01-01

A series of experimental data points to the existence of profound diffusion restrictions of ADP/ATP in rat cardiomyocytes. This assumption is required to explain the measurements of kinetics of respiration, sarcoplasmic reticulum loading with calcium, and kinetics of ATP-sensitive potassium channels. To be able to analyze and estimate the role of intracellular diffusion restrictions on bioenergetics, the intracellular diffusion coefficients of metabolites have to be determined. The aim of this work was to develop a practical method for determining diffusion coefficients in anisotropic medium and to estimate the overall diffusion coefficients of fluorescently labeled ATP in rat cardiomyocytes. For that, we have extended raster image correlation spectroscopy (RICS) protocols to be able to discriminate the anisotropy in the diffusion coefficient tensor. Using this extended protocol, we estimated diffusion coefficients of ATP labeled with the fluorescent conjugate Alexa Fluor 647 (Alexa-ATP). In the analysis, we assumed that the diffusion tensor can be described by two values: diffusion coefficient along the myofibril and that across it. The average diffusion coefficients found for Alexa-ATP were as follows: 83 ± 14 μm2/s in the longitudinal and 52 ± 16 μm2/s in the transverse directions (n = 8, mean ± SD). Those values are ∼2 (longitudinal) and ∼3.5 (transverse) times smaller than the diffusion coefficient value estimated for the surrounding solution. Such uneven reduction of average diffusion coefficient leads to anisotropic diffusion in rat cardiomyocytes. Although the source for such anisotropy is uncertain, we speculate that it may be induced by the ordered pattern of intracellular structures in rat cardiomyocytes. PMID:18815224

Ultrasound elastic tensor imaging: comparison with MR diffusion tensor imaging in the myocardium

NASA Astrophysics Data System (ADS)

Lee, Wei-Ning; Larrat, Benoît; Pernot, Mathieu; Tanter, Mickaël

2012-08-01

We have previously proven the feasibility of ultrasound-based shear wave imaging (SWI) to non-invasively characterize myocardial fiber orientation in both in vitro porcine and in vivo ovine hearts. The SWI-estimated results were in good correlation with histology. In this study, we proposed a new and robust fiber angle estimation method through a tensor-based approach for SWI, coined together as elastic tensor imaging (ETI), and compared it with magnetic resonance diffusion tensor imaging (DTI), a current gold standard and extensively reported non-invasive imaging technique for mapping fiber architecture. Fresh porcine (n = 5) and ovine (n = 5) myocardial samples (20 × 20 × 30 mm3) were studied. ETI was firstly performed to generate shear waves and to acquire the wave events at ultrafast frame rate (8000 fps). A 2.8 MHz phased array probe (pitch = 0.28 mm), connected to a prototype ultrasound scanner, was mounted on a customized MRI-compatible rotation device, which allowed both the rotation of the probe from -90° to 90° at 5° increments and co-registration between two imaging modalities. Transmural shear wave speed at all propagation directions realized was firstly estimated. The fiber angles were determined from the shear wave speed map using the least-squares method and eigen decomposition. The test myocardial sample together with the rotation device was then placed inside a 7T MRI scanner. Diffusion was encoded in six directions. A total of 270 diffusion-weighted images (b = 1000 s mm-2, FOV = 30 mm, matrix size = 60 × 64, TR = 6 s, TE = 19 ms, 24 averages) and 45 B0 images were acquired in 14 h 30 min. The fiber structure was analyzed by the fiber-tracking module in software, MedINRIA. The fiber orientation in the overlapped myocardial region which both ETI and DTI accessed was therefore compared, thanks to the co-registered imaging system. Results from all ten samples showed good correlation (r2 = 0.81, p < 0.0001) and good agreement (3.05° bias) between ETI and DTI fiber angle estimates. The average ETI-estimated fractional anisotropy (FA) values decreased from subendocardium to subepicardium (p < 0.05, unpaired, one-tailed t-test, N = 10) by 33%, whereas the corresponding DTI-estimated FA values presented a change of -10% (p > 0.05, unpaired, one-tailed t-test, N = 10). In conclusion, we have demonstrated that the fiber orientation estimated by ETI, which assesses the shear wave speed (and thus the stiffness), was comparable to that measured by DTI, which evaluates the preferred direction of water diffusion, and have validated this concept within the myocardium. Moreover, ETI was shown capable of mapping the transmural fiber angles with as few as seven shear wave propagation directions.

Bayesian framework for modeling diffusion processes with nonlinear drift based on nonlinear and incomplete observations.

PubMed

Wu, Hao; Noé, Frank

2011-03-01

Diffusion processes are relevant for a variety of phenomena in the natural sciences, including diffusion of cells or biomolecules within cells, diffusion of molecules on a membrane or surface, and diffusion of a molecular conformation within a complex energy landscape. Many experimental tools exist now to track such diffusive motions in single cells or molecules, including high-resolution light microscopy, optical tweezers, fluorescence quenching, and Förster resonance energy transfer (FRET). Experimental observations are most often indirect and incomplete: (1) They do not directly reveal the potential or diffusion constants that govern the diffusion process, (2) they have limited time and space resolution, and (3) the highest-resolution experiments do not track the motion directly but rather probe it stochastically by recording single events, such as photons, whose properties depend on the state of the system under investigation. Here, we propose a general Bayesian framework to model diffusion processes with nonlinear drift based on incomplete observations as generated by various types of experiments. A maximum penalized likelihood estimator is given as well as a Gibbs sampling method that allows to estimate the trajectories that have caused the measurement, the nonlinear drift or potential function and the noise or diffusion matrices, as well as uncertainty estimates of these properties. The approach is illustrated on numerical simulations of FRET experiments where it is shown that trajectories, potentials, and diffusion constants can be efficiently and reliably estimated even in cases with little statistics or nonequilibrium measurement conditions.

Motion immune diffusion imaging using augmented MUSE (AMUSE) for high-resolution multi-shot EPI

PubMed Central

Guhaniyogi, Shayan; Chu, Mei-Lan; Chang, Hing-Chiu; Song, Allen W.; Chen, Nan-kuei

2015-01-01

Purpose To develop new techniques for reducing the effects of microscopic and macroscopic patient motion in diffusion imaging acquired with high-resolution multi-shot EPI. Theory The previously reported Multiplexed Sensitivity Encoding (MUSE) algorithm is extended to account for macroscopic pixel misregistrations as well as motion-induced phase errors in a technique called Augmented MUSE (AMUSE). Furthermore, to obtain more accurate quantitative DTI measures in the presence of subject motion, we also account for the altered diffusion encoding among shots arising from macroscopic motion. Methods MUSE and AMUSE were evaluated on simulated and in vivo motion-corrupted multi-shot diffusion data. Evaluations were made both on the resulting imaging quality and estimated diffusion tensor metrics. Results AMUSE was found to reduce image blurring resulting from macroscopic subject motion compared to MUSE, but yielded inaccurate tensor estimations when neglecting the altered diffusion encoding. Including the altered diffusion encoding in AMUSE produced better estimations of diffusion tensors. Conclusion The use of AMUSE allows for improved image quality and diffusion tensor accuracy in the presence of macroscopic subject motion during multi-shot diffusion imaging. These techniques should facilitate future high-resolution diffusion imaging. PMID:25762216

Dehydration of multilamellar fatty acid membranes: Towards a computational model of the stratum corneum

NASA Astrophysics Data System (ADS)

MacDermaid, Christopher M.; DeVane, Russell H.; Klein, Michael L.; Fiorin, Giacomo

2014-12-01

The level of hydration controls the cohesion between apposed lamellae of saturated free fatty acids found in the lipid matrix of stratum corneum, the outermost layer of mammalian skin. This multilamellar lipid matrix is highly impermeable to water and ions, so that the local hydration shell of its fatty acids may not always be in equilibrium with the acidity and relative humidity, which significantly change over a course of days during skin growth. The homeostasis of the stratum corneum at each moment of its growth likely requires a balance between two factors, which affect in opposite ways the diffusion of hydrophilic species through the stratum corneum: (i) an increase in water order as the lipid lamellae come in closer contact, and (ii) a decrease in water order as the fraction of charged fatty acids is lowered by pH. Herein molecular dynamics simulations are employed to estimate the impact of both effects on water molecules confined between lamellae of fatty acids. Under conditions where membrane undulations are energetically favorable, the charged fatty acids are able to sequester cations around points of contact between lamellae that are fully dehydrated, while essentially maintaining a multilamellar structure for the entire system. This observation suggests that the undulations of the fatty acid lamellae control the diffusion of hydrophilic species through the water phase by altering the positional and rotational order of water molecules in the embedded/occluded "droplets."

Dynamics of two-dimensional monolayer water confined in hydrophobic and charged environments.

PubMed

Kumar, Pradeep; Han, Sungho

2012-09-21

We perform molecular dynamics simulations to study the effect of charged surfaces on the intermediate and long time dynamics of water in nanoconfinements. Here, we use the transferable interaction potential with five points (TIP5P) model of a water molecule confined in both hydrophobic and charged surfaces. For a single molecular layer of water between the surfaces, we find that the temperature dependence of the lateral diffusion constant of water up to very high temperatures remains Arrhenius with a high activation energy. In case of charged surfaces, however, the dynamics of water in the intermediate time regime is drastically modified presumably due to the transient coupling of dipoles of water molecules with electric field fluctuations induced by charges on the confining surfaces. Specifically, the lateral mean square displacements display a distinct super-diffusive behavior at intermediate time scale, defined as the time scale between ballistic and diffusive regimes. This change in the intermediate time-scale dynamics in the charged confinement leads to the enhancement of long-time dynamics as reflected in increasing diffusion constant. We introduce a simple model for a possible explanation of the super-diffusive behavior and find it to be in good agreement with our simulation results. Furthermore, we find that confinement and the surface polarity enhance the low frequency vibration in confinement compared to bulk water. By introducing a new effective length scale of coupling between translational and orientational motions, we find that the length scale increases with the increasing strength of the surface polarity. Further, we calculate the correlation between the diffusion constant and the excess entropy and find a disordering effect of polar surfaces on the structure of water. Finally, we find that the empirical relation between the diffusion constant and the excess entropy holds for a monolayer of water in nanoconfinement.

Correlation Between Minimum Apparent Diffusion Coefficient (ADCmin) and Tumor Cellularity: A Meta-analysis.

PubMed

Surov, Alexey; Meyer, Hans Jonas; Wienke, Andreas

2017-07-01

Diffusion-weighted imaging (DWI) is a magnetic resonance imaging (MRI) technique based on measure of water diffusion that can provide information about tissue microstructure, especially about cell count. Increase of cell density induces restriction of water diffusion and decreases apparent diffusion coefficient (ADC). ADC can be divided into three sub-parameters: ADC minimum or ADC min , mean ADC or ADC mean and ADC maximum or ADC max Some studies have suggested that ADC min shows stronger correlations with cell count in comparison to other ADC fractions and may be used as a parameter for estimation of tumor cellularity. The aim of the present meta-analysis was to summarize correlation coefficients between ADC min and cellularity in different tumors based on large patient data. For this analysis, MEDLINE database was screened for associations between ADC and cell count in different tumors up to September 2016. For this work, only data regarding ADC min were included. Overall, 12 publications with 317 patients were identified. Spearman's correlation coefficient was used to analyze associations between ADC min and cellularity. The reported Pearson correlation coefficients in some publications were converted into Spearman correlation coefficients. The pooled correlation coefficient for all included studies was ρ=-0.59 (95% confidence interval (CI)=-0.72 to -0.45), heterogeneity Tau 2 =0.04 (p<0.0001), I 2 =73%, test for overall effect Z=8.67 (p<0.00001). ADC min correlated moderately with tumor cellularity. The calculated correlation coefficient is not stronger in comparison to the reported coefficient for ADC mean and, therefore, ADC min does not represent a better means to reflect cellularity. Copyright© 2017, International Institute of Anticancer Research (Dr. George J. Delinasios), All rights reserved.

Tile drainage as karst: Conduit flow and diffuse flow in a tile-drained watershed

USGS Publications Warehouse

Schilling, K.E.; Helmers, M.

2008-01-01

The similarity of tiled-drained watersheds to karst drainage basins can be used to improve understanding of watershed-scale nutrient losses from subsurface tile drainage networks. In this study, short-term variations in discharge and chemistry were examined from a tile outlet collecting subsurface tile flow from a 963 ha agricultural watershed. Study objectives were to apply analytical techniques from karst springs to tile discharge to evaluate water sources and estimate the loads of agricultural pollutants discharged from the tile with conduit, intermediate and diffuse flow regimes. A two-member mixing model using nitrate, chloride and specific conductance was used to distinguish rainwater versus groundwater inputs. Results indicated that groundwater comprised 75% of the discharge for a three-day storm period and rainwater was primarily concentrated during the hydrograph peak. A contrasting pattern of solute concentrations and export loads was observed in tile flow. During base flow periods, tile flow consisted of diffuse flow from groundwater sources and contained elevated levels of nitrate, chloride and specific conductance. During storm events, suspended solids and pollutants adhered to soil surfaces (phosphorus, ammonium and organic nitrogen) were concentrated and discharged during the rapid, conduit flow portion of the hydrograph. During a three-day period, conduit flow occurred for 5.6% of the time but accounted for 16.5% of the total flow. Nitrate and chloride were delivered primarily with diffuse flow (more than 70%), whereas 80-94% of total suspended sediment, phosphorus and ammonium were exported with conduit and intermediate flow regimes. Understanding the water sources contributing to tile drainage and the manner by which pollutant discharge occurs from these systems (conduit, intermediate or diffuse flow) may be useful for designing, implementing and evaluating non-point source reduction strategies in tile-drained landscapes. ?? 2007 Elsevier B.V. All rights reserved.

Molecular dynamics study of rhodamine 6G diffusion at n-decane-water interfaces.

PubMed

Popov, Piotr; Steinkerchner, Leo; Mann, Elizabeth K

2015-05-01

Two-dimensional diffusion of a rhodamine 6G fluorescent tracer molecule at the n-decane-water interface was studied with all-atom molecular dynamics simulations. In agreement with experimental data, we find increased mobility of the tracer at the n-decane-water interfaces in comparison to its mobility in bulk water. Orientational ordering of water and n-decane molecules near the interface is observed, and may change the interfacial viscosity as suggested to explain the experimental data. However, the restricted rotational motion of the rhodamine molecule at the interface suggests that the Saffman-Delbrück model may be a more appropriate approximation of rhodamine diffusion at n-decane-water interfaces, and, without any decrease in interfacial viscosity, suggests faster diffusion consistent with both experimental and simulation values.

Thermodynamic properties and diffusion of water + methane binary mixtures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shvab, I.; Sadus, Richard J., E-mail: rsadus@swin.edu.au

2014-03-14

Thermodynamic and diffusion properties of water + methane mixtures in a single liquid phase are studied using NVT molecular dynamics. An extensive comparison is reported for the thermal pressure coefficient, compressibilities, expansion coefficients, heat capacities, Joule-Thomson coefficient, zero frequency speed of sound, and diffusion coefficient at methane concentrations up to 15% in the temperature range of 298–650 K. The simulations reveal a complex concentration dependence of the thermodynamic properties of water + methane mixtures. The compressibilities, heat capacities, and diffusion coefficients decrease with increasing methane concentration, whereas values of the thermal expansion coefficients and speed of sound increase. Increasing methanemore » concentration considerably retards the self-diffusion of both water and methane in the mixture. These effects are caused by changes in hydrogen bond network, solvation shell structure, and dynamics of water molecules induced by the solvation of methane at constant volume conditions.« less

Proton transfer and the diffusion of H+ and OH- ions along water wires.

PubMed

Lee, Song Hi; Rasaiah, Jayendran C

2013-09-28

Hydrogen and hydroxide ion transport in narrow carbon nanotubes (CNTs) of diameter 8.1 Å and lengths up to 582 Å are investigated by molecular dynamics simulations using a dissociating water model. The diffusion coefficients of the free ions in an open chain are significantly larger than in periodically replicated wires that necessarily contain D or L end defects, and both are higher than they are in bulk water. The free hydroxide ion diffuses faster than the free hydronium ion in short CNTs, unlike diffusion in liquid water, and both coefficients increase and converge to nearly the same value with increasing tube length. The diffusion coefficients of the two ions increase further when the tubes are immersed in a water reservoir and they move easily out of the tube, suggesting an additional pathway for proton transport via OH(-) ions in biological channels.

A method for the estimate of the wall diffusion for non-axisymmetric fields using rotating external fields

NASA Astrophysics Data System (ADS)

Frassinetti, L.; Olofsson, K. E. J.; Fridström, R.; Setiadi, A. C.; Brunsell, P. R.; Volpe, F. A.; Drake, J.

2013-08-01

A new method for the estimate of the wall diffusion time of non-axisymmetric fields is developed. The method based on rotating external fields and on the measurement of the wall frequency response is developed and tested in EXTRAP T2R. The method allows the experimental estimate of the wall diffusion time for each Fourier harmonic and the estimate of the wall diffusion toroidal asymmetries. The method intrinsically considers the effects of three-dimensional structures and of the shell gaps. Far from the gaps, experimental results are in good agreement with the diffusion time estimated with a simple cylindrical model that assumes a homogeneous wall. The method is also applied with non-standard configurations of the coil array, in order to mimic tokamak-relevant settings with a partial wall coverage and active coils of large toroidal extent. The comparison with the full coverage results shows good agreement if the effects of the relevant sidebands are considered.

Normalized sensitivities and parameter identifiability of in situ diffusion experiments on Callovo Oxfordian clay at Bure site

NASA Astrophysics Data System (ADS)

Samper, J.; Dewonck, S.; Zheng, L.; Yang, Q.; Naves, A.

Diffusion of inert and reactive tracers (DIR) is an experimental program performed by ANDRA at Bure underground research laboratory in Meuse/Haute Marne (France) to characterize diffusion and retention of radionuclides in Callovo-Oxfordian (C-Ox) argillite. In situ diffusion experiments were performed in vertical boreholes to determine diffusion and retention parameters of selected radionuclides. C-Ox clay exhibits a mild diffusion anisotropy due to stratification. Interpretation of in situ diffusion experiments is complicated by several non-ideal effects caused by the presence of a sintered filter, a gap between the filter and borehole wall and an excavation disturbed zone (EdZ). The relevance of such non-ideal effects and their impact on estimated clay parameters have been evaluated with numerical sensitivity analyses and synthetic experiments having similar parameters and geometric characteristics as real DIR experiments. Normalized dimensionless sensitivities of tracer concentrations at the test interval have been computed numerically. Tracer concentrations are found to be sensitive to all key parameters. Sensitivities are tracer dependent and vary with time. These sensitivities are useful to identify which are the parameters that can be estimated with less uncertainty and find the times at which tracer concentrations begin to be sensitive to each parameter. Synthetic experiments generated with prescribed known parameters have been interpreted automatically with INVERSE-CORE 2D and used to evaluate the relevance of non-ideal effects and ascertain parameter identifiability in the presence of random measurement errors. Identifiability analysis of synthetic experiments reveals that data noise makes difficult the estimation of clay parameters. Parameters of clay and EdZ cannot be estimated simultaneously from noisy data. Models without an EdZ fail to reproduce synthetic data. Proper interpretation of in situ diffusion experiments requires accounting for filter, gap and EdZ. Estimates of the effective diffusion coefficient and the porosity of clay are highly correlated, indicating that these parameters cannot be estimated simultaneously. Accurate estimation of De and porosities of clay and EdZ is only possible when the standard deviation of random noise is less than 0.01. Small errors in the volume of the circulation system do not affect clay parameter estimates. Normalized sensitivities as well as the identifiability analysis of synthetic experiments provide additional insight on inverse estimation of in situ diffusion experiments and will be of great benefit for the interpretation of real DIR in situ diffusion experiments.

Sparse and Adaptive Diffusion Dictionary (SADD) for recovering intra-voxel white matter structure.

PubMed

Aranda, Ramon; Ramirez-Manzanares, Alonso; Rivera, Mariano

2015-12-01

On the analysis of the Diffusion-Weighted Magnetic Resonance Images, multi-compartment models overcome the limitations of the well-known Diffusion Tensor model for fitting in vivo brain axonal orientations at voxels with fiber crossings, branching, kissing or bifurcations. Some successful multi-compartment methods are based on diffusion dictionaries. The diffusion dictionary-based methods assume that the observed Magnetic Resonance signal at each voxel is a linear combination of the fixed dictionary elements (dictionary atoms). The atoms are fixed along different orientations and diffusivity profiles. In this work, we present a sparse and adaptive diffusion dictionary method based on the Diffusion Basis Functions Model to estimate in vivo brain axonal fiber populations. Our proposal overcomes the following limitations of the diffusion dictionary-based methods: the limited angular resolution and the fixed shapes for the atom set. We propose to iteratively re-estimate the orientations and the diffusivity profile of the atoms independently at each voxel by using a simplified and easier-to-solve mathematical approach. As a result, we improve the fitting of the Diffusion-Weighted Magnetic Resonance signal. The advantages with respect to the former Diffusion Basis Functions method are demonstrated on the synthetic data-set used on the 2012 HARDI Reconstruction Challenge and in vivo human data. We demonstrate that improvements obtained in the intra-voxel fiber structure estimations benefit brain research allowing to obtain better tractography estimations. Hence, these improvements result in an accurate computation of the brain connectivity patterns. Copyright © 2015 Elsevier B.V. All rights reserved.

Chemical Variability in Ocean Frontal Areas: Results of a Workshop Conducted 19-22 September 1983

DTIC Science & Technology

1988-07-01

tidal mixing and is separated from the seasonally stratified waters of the Bering Sea Shelf by a front at approximately 50 m. Salinity, temperature...the concentration of dissolved methane at the entrance to Port Moller is seasonably variable, it averages about a factor of 10 above the ambient...coastal levels regardless of season . By fitting the distribution of dissolved methane to a 2-D advection-diffusion model, we estimated a mean velocity

Eulerian and Lagrangian Parameterization of the Oceanic Mixed Layer using Large Eddy Simulation and MPAS-Ocean

DOE Office of Scientific and Technical Information (OSTI.GOV)

Van Roekel, Luke

We have conducted a suite of Large Eddy Simulation (LES) to form the basis of a multi-model comparison (left). The results have led to proposed model improvements. We have verified that Eulerian-Lagrangian effective diffusivity estimates of mesoscale mixing are consistent with traditional particle statistics metrics (right). LES and Lagrangian particles will be utilized to better represent the movement of water into and out of the mixed layer.

Synoptic estimates of diffuse groundwater seepage to a spring-fed karst river at high spatial resolution using an automated radon measurement technique

NASA Astrophysics Data System (ADS)

Khadka, Mitra B.; Martin, Jonathan B.; Kurz, Marie J.

2017-01-01

Groundwater (GW) seepage can provide a major source of water, solutes, and contaminants to rivers, but identifying magnitudes, directions and locations of seepage is complicated by its diffuse and heterogeneous distributions. However, such information is necessary to develop programs and policies for protecting ecosystems and managing water resources. Here, we assess GW seepage to the Ichetucknee River, a spring-fed, low gradient, gaining stream in north-central Florida, through automated longitudinal surveys of radon (222Rn) activities at three different flow conditions. A 222Rn mass balance model, which integrates groundwater and spring water end member 222Rn activities and longitudinal 222Rn distributions in river water, shows that diffuse groundwater seepage represents about 16% of the total river baseflow, consistent with previous results obtained from ion (Ca2+, Cl-, SRP and Fe) mass balances and dye tracer methods. During high river stage, the contribution from seepage increases to 18-23% of the river flow. The spatial distribution of GW seepage is more variable in the upper 2.2-km reach of the river than the lower 2.8-km reach, regardless of river flow conditions. The upper reach has a narrower flood plain than the lower reach, which limits evapotranspiration and increases hydraulic gradients toward the river following storm events. Seepage in the lower reach is also limited by hydrologic damming by the receiving river, which inundates the floodplain during high flow conditions, and reduces the hydraulic head gradient. These results demonstrate the variable nature of seepage to a gaining river in both time and space and indicate that multiple synoptic analyses of GW seepage are required to assess seepage rates, determine time-averaged solute fluxes, and develop optimal management policies for riverine ecosystems.

Avian Egg Latebra as Brain Tissue Water Diffusion Model

PubMed Central

Maier, Stephan E.; Mitsouras, Dimitris; Mulkern, Robert V.

2013-01-01

Purpose Simplified models of non-monoexponential diffusion signal decay are of great interest to study the basic constituents of complex diffusion behaviour in tissues. The latebra, a unique structure uniformly present in the yolk of avian eggs, exhibits a non-monoexponential diffusion signal decay. This model is more complex than simple phantoms based on differences between water and lipid diffusion, but is also devoid of microscopic structures with preferential orientation or perfusion effects. Methods Diffusion scans with multiple b-values were performed on a clinical 3 Tesla system in raw and boiled chicken eggs equilibrated to room temperature. Diffusion encoding was applied over the ranges 5–5,000 and 5–50,000 s/mm2. A low read-out bandwidth and chemical shift was used for reliable lipid/water separation. Signal decays were fitted with exponential functions. Results The latebra, when measured over the 5–5,000 s/mm2 range, exhibited independent of preparation clearly biexponential diffusion, with diffusion parameters similar to those typically observed in in-vivo human brain. For the range 5–50,000 s/mm2 there was evidence of a small third, very slow diffusing water component. Conclusion The latebra of the avian egg contains membrane structures, which may explain a deviation from a simple monoexponential diffusion signal decay, which is remarkably similar to the deviation observed in brain tissue. PMID:24105853

Experimental data from coastal diffusion tests. [Smoke diffusion over coastal waters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Raynor, G S; Brown, R M; SethuRaman, S

1976-10-01

Data are reported from a series of seven experiments on the diffusion of smoke plumes over northeast Atlantic Ocean coastal waters in response to wind fluctuations and other meteorological variables. A qualitative description of smoke behavior during each experiment is included and photographs of the smoke are included to illustrate the type of diffusion observed. (CH)

Diffusion coefficients of water in biobased hydrogel polymer matrices by nuclear magnetic resonance imaging

USDA-ARS?s Scientific Manuscript database

The diffusion coefficient of water in biobased hydrogels were measured utilizing a simple NMR method. This method tracks the migration of deuterium oxide through imaging data that is fit to a diffusion equation. The results show that a 5 wt% soybean oil based hydrogel gives aqueous diffusion of 1.37...

Some Peculiarities of Water Transport through Plasticized Nonporous Membranes

PubMed Central

Marian, S.; Jagur-Grodzinski, J.; Kedem, O.; Vofsi, D.

1970-01-01

“Liquid” and “plasticized” solvent membranes are of interest as possible analogues of biological systems. Semipermeable homogeneous films are prepared by plasticizing polyvinylchloride with organic phosphates. Water permeability of such films is relatively high. For a material containing 70% of 1.4-dihydroxyphenyl-bis(dibutylphosphate), the diffusion coefficient of water at room temperature was estimated to be about 1 × 10-6 cm2/sec. Conditioning of a plasticized membrane, under the osmotic gradient of solution of sodium nitrate, leads to profound changes in its morphology and to a drastic increase of its water permeability. The induced changes are reversible to a large extent. Their reversibility in various solutions may be correlated with the respective differences in permselectivity. The structure of expanded membranes and the mechanism of changes taking place under the osmotic gradients are discussed. ImagesFigure 2 PMID:5496907

Evidence for Enhanced Matrix Diffusion in Geological Environment

NASA Astrophysics Data System (ADS)

Sato, Kiminori; Fujimoto, Koichiro; Nakata, Masataka; Shikazono, Naotatsu

2013-01-01

Molecular diffusion in rock matrix, called as matrix diffusion, has been appreciated as a static process for elemental migration in geological environment that has been acknowledged in the context of geological disposal of radioactive waste. However, incomprehensible enhancement of matrix diffusion has been reported at a number of field test sites. Here, the matrix diffusion of saline water at Horonobe, Hokkaido, Japan is highlighted directly probing angstrom-scale pores on a field scale up to 1 km by positron--positronium annihilation spectroscopy. The first application of positron--positronium annihilation spectroscopy to field-scale geophysical research reveals the slight variation of angstrom-scale pores influenced by saline water diffusion with complete accuracy. We found widely interconnected 3 Å pores, which offer the pathway of saline water diffusion with the highly enhanced effective matrix diffusion coefficient of 4× 10-6 cm2 s-1. The present findings provide unambiguous evidence that the angstrom-scale pores enhance effective matrix diffusion on a field scale in geological environment.

Reconciling Isotopic Partitioning Estimates of Moisture Fluxes in Semi-arid Landscapes Through a New Modeling Approach for Evaporation

NASA Astrophysics Data System (ADS)

Kaushik, A.; Berkelhammer, M. B.; O'Neill, M.; Noone, D.

2017-12-01

The partitioning of land surface latent heat flux into evaporation and transpiration remains a challenging problem despite a basic understanding of the underlying mechanisms. Water isotopes are useful tracers for separating evaporation and transpiration contributions because E and T have distinct isotopic ratios. Here we use the isotope-based partitioning method at a semi-arid grassland tall-tower site in Colorado. Our results suggest that under certain conditions evaporation cannot be isotopically distinguished from transpiration without modification of existing partitioning techniques. Over a 4-year period, we measured profiles of stable oxygen and hydrogen isotope ratios of water vapor from the surface to 300 m and soil water down to 1 m along with standard meteorological fluxes. Using these data, we evaluated the contributions of rainfall, equilibration, surface water vapor exchange and sub-surface vapor diffusion to the isotopic composition of evapotranspiration (ET). Applying the standard isotopic approach to find the transpiration portion of ET (i.e., T/ET), we see a significant discrepancy compared with a method to constrain T/ET based on gross primary productivity (GPP). By evaluating the kinetic fractionation associated with soil evaporation and vapor diffusion we find that a significant proportion (58-84%) of evaporation following precipitation is non-fractionating. This is possible when water from isolated soil layers is being nearly completely evaporated. Non-fractionating evaporation looks isotopically like transpiration and therefore leads to an overestimation of T/ET. Including non-fractionating evaporation reconciles the isotope-based partitioning estimates of T/ET with the GPP method, and may explain the overestimation of T/ET from isotopes compared to other methods. Finally, we examine the application of non-fractionating evaporation to other boundary layer moisture flux processes such as rain evaporation, where complete evaporation of smaller drop pools may produce a similarly weaker kinetic effect.

Thermodynamic Derivation of the Activation Energy for Ice Nucleation

NASA Technical Reports Server (NTRS)

Barahona, D.

2015-01-01

Cirrus clouds play a key role in the radiative and hydrological balance of the upper troposphere. Their correct representation in atmospheric models requires an understanding of the microscopic processes leading to ice nucleation. A key parameter in the theoretical description of ice nucleation is the activation energy, which controls the flux of water molecules from the bulk of the liquid to the solid during the early stages of ice formation. In most studies it is estimated by direct association with the bulk properties of water, typically viscosity and self-diffusivity. As the environment in the ice-liquid interface may differ from that of the bulk, this approach may introduce bias in calculated nucleation rates. In this work a theoretical model is proposed to describe the transfer of water molecules across the ice-liquid interface. Within this framework the activation energy naturally emerges from the combination of the energy required to break hydrogen bonds in the liquid, i.e., the bulk diffusion process, and the work dissipated from the molecular rearrangement of water molecules within the ice-liquid interface. The new expression is introduced into a generalized form of classical nucleation theory. Even though no nucleation rate measurements are used to fit any of the parameters of the theory the predicted nucleation rate is in good agreement with experimental results, even at temperature as low as 190 K, where it tends to be underestimated by most models. It is shown that the activation energy has a strong dependency on temperature and a weak dependency on water activity. Such dependencies are masked by thermodynamic effects at temperatures typical of homogeneous freezing of cloud droplets; however, they may affect the formation of ice in haze aerosol particles. The new model provides an independent estimation of the activation energy and the homogeneous ice nucleation rate, and it may help to improve the interpretation of experimental results and the development of parameterizations for cloud formation.

Extracting surface diffusion coefficients from batch adsorption measurement data: application of the classic Langmuir kinetics model.

PubMed

Chu, Khim Hoong

2017-11-09

Surface diffusion coefficients may be estimated by fitting solutions of a diffusion model to batch kinetic data. For non-linear systems, a numerical solution of the diffusion model's governing equations is generally required. We report here the application of the classic Langmuir kinetics model to extract surface diffusion coefficients from batch kinetic data. The use of the Langmuir kinetics model in lieu of the conventional surface diffusion model allows derivation of an analytical expression. The parameter estimation procedure requires determining the Langmuir rate coefficient from which the pertinent surface diffusion coefficient is calculated. Surface diffusion coefficients within the 10 -9 to 10 -6  cm 2 /s range obtained by fitting the Langmuir kinetics model to experimental kinetic data taken from the literature are found to be consistent with the corresponding values obtained from the traditional surface diffusion model. The virtue of this simplified parameter estimation method is that it reduces the computational complexity as the analytical expression involves only an algebraic equation in closed form which is easily evaluated by spreadsheet computation.

Water Diffusion Mechanism in Carbon Nanotube and Polyamide Nanocomposite Reverse Osmosis Membranes: A Possible Percolation-Hopping Mechanism

NASA Astrophysics Data System (ADS)

Araki, Takumi; Cruz-Silva, Rodolfo; Tejima, Syogo; Ortiz-Medina, Josue; Morelos-Gomez, Aaron; Takeuchi, Kenji; Hayashi, Takuya; Terrones, Mauricio; Endo, Morinobu

2018-02-01

This paper is a contribution to the Physical Review Applied collection in memory of Mildred S. Dresselhaus. The mechanism of water diffusion across reverse osmosis nanocomposite membranes made of carbon nanotubes (CNTs) and aromatic polyamide is not completely understood despite its high potential for desalination applications. While most of the groups have proposed that superflow inside the CNT might positively impact the water flow across membranes, here we show theoretical evidence that this is not likely the case in composite membranes because CNTs are usually oriented parallel to the membrane surface, not to mention that sometimes the nanotube cores are occluded. Instead, we propose an oriented diffusion mechanism that explains the high water permeation by decreasing the diffusion path of water molecules across the membranes, even in the presence of CNTs that behave as impermeable objects. Finally, we provide a comprehensive description of the molecular dynamics occurring in water desalination membranes by considering the bond polarizability caused by dynamic charge transfer and explore the use of molecular-dynamics-derived stochastic diffusion simulations. The proposed water diffusion mechanism offers an alternative and most likely explanation for the high permeation phenomena observed in CNTs and PA nanocomposite membranes, and its understanding can be helpful to design the next generation of reverse osmosis desalination membranes.

Maxwell-Stefan diffusion coefficient estimation for ternary systems: an ideal ternary alcohol system.

PubMed

Allie-Ebrahim, Tariq; Zhu, Qingyu; Bräuer, Pierre; Moggridge, Geoff D; D'Agostino, Carmine

2017-06-21

The Maxwell-Stefan model is a popular diffusion model originally developed to model diffusion of gases, which can be considered thermodynamically ideal mixtures, although its application has been extended to model diffusion in non-ideal liquid mixtures as well. A drawback of the model is that it requires the Maxwell-Stefan diffusion coefficients, which are not based on measurable quantities but they have to be estimated. As a result, numerous estimation methods, such as the Darken model, have been proposed to estimate these diffusion coefficients. However, the Darken model was derived, and is only well defined, for binary systems. This model has been extended to ternary systems according to two proposed forms, one by R. Krishna and J. M. van Baten, Ind. Eng. Chem. Res., 2005, 44, 6939-6947 and the other by X. Liu, T. J. H. Vlugt and A. Bardow, Ind. Eng. Chem. Res., 2011, 50, 10350-10358. In this paper, the two forms have been analysed against the ideal ternary system of methanol/butan-1-ol/propan-1-ol and using experimental values of self-diffusion coefficients. In particular, using pulsed gradient stimulated echo nuclear magnetic resonance (PGSTE-NMR) we have measured the self-diffusion coefficients in various methanol/butan-1-ol/propan-1-ol mixtures. The experimental values of self-diffusion coefficients were then used as the input data required for the Darken model. The predictions of the two proposed multicomponent forms of this model were then compared to experimental values of mutual diffusion coefficients for the ideal alcohol ternary system. This experimental-based approach showed that the Liu's model gives better predictions compared to that of Krishna and van Baten, although it was only accurate to within 26%. Nonetheless, the multicomponent Darken model in conjunction with self-diffusion measurements from PGSTE-NMR represents an attractive method for a rapid estimation of mutual diffusion in multicomponent systems, especially when compared to exhaustive MD simulations.

Complex index of refraction estimation from degree of polarization with diffuse scattering consideration.

PubMed

Zhan, Hanyu; Voelz, David G; Cho, Sang-Yeon; Xiao, Xifeng

2015-11-20

The estimation of the refractive index from optical scattering off a target's surface is an important task for remote sensing applications. Optical polarimetry is an approach that shows promise for refractive index estimation. However, this estimation often relies on polarimetric models that are limited to specular targets involving single surface scattering. Here, an analytic model is developed for the degree of polarization (DOP) associated with reflection from a rough surface that includes the effect of diffuse scattering. A multiplicative factor is derived to account for the diffuse component and evaluation of the model indicates that diffuse scattering can significantly affect the DOP values. The scattering model is used in a new approach for refractive index estimation from a series of DOP values that involves jointly estimating n, k, and ρ(d)with a nonlinear equation solver. The approach is shown to work well with simulation data and additive noise. When applied to laboratory-measured DOP values, the approach produces significantly improved index estimation results relative to reference values.

Using genetic data to estimate diffusion rates in heterogeneous landscapes.

PubMed

Roques, L; Walker, E; Franck, P; Soubeyrand, S; Klein, E K

2016-08-01

Having a precise knowledge of the dispersal ability of a population in a heterogeneous environment is of critical importance in agroecology and conservation biology as it can provide management tools to limit the effects of pests or to increase the survival of endangered species. In this paper, we propose a mechanistic-statistical method to estimate space-dependent diffusion parameters of spatially-explicit models based on stochastic differential equations, using genetic data. Dividing the total population into subpopulations corresponding to different habitat patches with known allele frequencies, the expected proportions of individuals from each subpopulation at each position is computed by solving a system of reaction-diffusion equations. Modelling the capture and genotyping of the individuals with a statistical approach, we derive a numerically tractable formula for the likelihood function associated with the diffusion parameters. In a simulated environment made of three types of regions, each associated with a different diffusion coefficient, we successfully estimate the diffusion parameters with a maximum-likelihood approach. Although higher genetic differentiation among subpopulations leads to more accurate estimations, once a certain level of differentiation has been reached, the finite size of the genotyped population becomes the limiting factor for accurate estimation.

Solubility and diffusivity of nitrous oxide in ternary mixtures of water, monoethanolamine, and N-methyldiethanolamine and solution densities and viscosities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hagewiesche, D.P.; Ashour, S.S.; Sandall, O.C.

1995-05-01

Recently, several researchers have suggested using aqueous mixtures of small amounts of monoethanolamine and much larger amounts of N-methyldiethanolamine for the absorption of CO{sub 2} and for the selective removal of H{sub 2}S from gas streams of mixtures of CO{sub 2} and H{sub 2}S. The densities and viscosities of aqueous N-methyldiethanolamine/monoethanolamine (MDEA/MEA) blends containing 30 and 40 mass % total amine with MEA concentrations of 5, 10, and 15 mass % of the total amine concentration were measured at temperatures of 303, 313, and 323 K. The diffusion coefficients and Henry`s law constants of N{sub 2}O in these solutions weremore » also measured and were used to estimate the diffusion coefficients and Henry`s law constants of CO{sub 2} in these solutions according to the N{sub 2}O/CO{sub 2} analogy technique.« less

An improved method to estimate reflectance parameters for high dynamic range imaging

NASA Astrophysics Data System (ADS)

Li, Shiying; Deguchi, Koichiro; Li, Renfa; Manabe, Yoshitsugu; Chihara, Kunihiro

2008-01-01

Two methods are described to accurately estimate diffuse and specular reflectance parameters for colors, gloss intensity and surface roughness, over the dynamic range of the camera used to capture input images. Neither method needs to segment color areas on an image, or to reconstruct a high dynamic range (HDR) image. The second method improves on the first, bypassing the requirement for specific separation of diffuse and specular reflection components. For the latter method, diffuse and specular reflectance parameters are estimated separately, using the least squares method. Reflection values are initially assumed to be diffuse-only reflection components, and are subjected to the least squares method to estimate diffuse reflectance parameters. Specular reflection components, obtained by subtracting the computed diffuse reflection components from reflection values, are then subjected to a logarithmically transformed equation of the Torrance-Sparrow reflection model, and specular reflectance parameters for gloss intensity and surface roughness are finally estimated using the least squares method. Experiments were carried out using both methods, with simulation data at different saturation levels, generated according to the Lambert and Torrance-Sparrow reflection models, and the second method, with spectral images captured by an imaging spectrograph and a moving light source. Our results show that the second method can estimate the diffuse and specular reflectance parameters for colors, gloss intensity and surface roughness more accurately and faster than the first one, so that colors and gloss can be reproduced more efficiently for HDR imaging.

Long-term diffusion of U(VI) in bentonite: Dependence on density

DOE PAGES

Joseph, Claudia; Mibus, Jens; Trepte, Paul; ...

2016-10-12

As a contribution to the safety assessment of nuclear waste repositories, U(VI) diffusion through the potential buffer material MX-80 bentonite was investigated at three clay dry densities over six years. Synthetic MX-80 model pore water was used as background electrolyte. Speciation calculations showed that Ca 2UO 2(CO 3) 3(aq) was the main U(VI) species. The in- and out-diffusion of U(VI) was investigated separately. U(VI) diffused about 3 mm, 1.5 mm, and 1 mm into the clay plug at ρ = 1.3, 1.6, and 1.9 g/cm 3, respectively. No through-diffusion of the U(VI) tracer was observed. However, leaching of natural uraniummore » contained in the clay occurred and uranium was detected in all receiving reservoirs. As expected, the effective and apparent diffusion coefficients, D e and D a, decreased with increasing dry density. The D a values for the out-diffusion of natural U(VI) were in good agreement with previously determined values. Surprisingly, D a values for the in-diffusion of U(VI) were about two orders of magnitude lower than values obtained in short-term in-diffusion experiments reported in the literature. Some potential reasons for this behavior that were evaluated are changes of the U(VI) speciation within the clay (precipitation, reduction) or changes of the clay porosity and pore connectivity with time. By applying Archie's law and the extended Archie's law, it was estimated that a significantly smaller effective porosity must be present for the long-term in-diffusion of U(VI). Finally, the results suggest that long-term studies of key transport phenomena may reveal additional processes that can directly impact long-term repository safety assessments.« less

Determination of geostatistically representative sampling locations in Porsuk Dam Reservoir (Turkey)

NASA Astrophysics Data System (ADS)

Aksoy, A.; Yenilmez, F.; Duzgun, S.

2013-12-01

Several factors such as wind action, bathymetry and shape of a lake/reservoir, inflows, outflows, point and diffuse pollution sources result in spatial and temporal variations in water quality of lakes and reservoirs. The guides by the United Nations Environment Programme and the World Health Organization to design and implement water quality monitoring programs suggest that even a single monitoring station near the center or at the deepest part of a lake will be sufficient to observe long-term trends if there is good horizontal mixing. In stratified water bodies, several samples can be required. According to the guide of sampling and analysis under the Turkish Water Pollution Control Regulation, a minimum of five sampling locations should be employed to characterize the water quality in a reservoir or a lake. The European Union Water Framework Directive (2000/60/EC) states to select a sufficient number of monitoring sites to assess the magnitude and impact of point and diffuse sources and hydromorphological pressures in designing a monitoring program. Although existing regulations and guidelines include frameworks for the determination of sampling locations in surface waters, most of them do not specify a procedure in establishment of monitoring aims with representative sampling locations in lakes and reservoirs. In this study, geostatistical tools are used to determine the representative sampling locations in the Porsuk Dam Reservoir (PDR). Kernel density estimation and kriging were used in combination to select the representative sampling locations. Dissolved oxygen and specific conductivity were measured at 81 points. Sixteen of them were used for validation. In selection of the representative sampling locations, care was given to keep similar spatial structure in distributions of measured parameters. A procedure was proposed for that purpose. Results indicated that spatial structure was lost under 30 sampling points. This was as a result of varying water quality in the reservoir due to inflows, point and diffuse inputs, and reservoir hydromorphology. Moreover, hot spots were determined based on kriging and standard error maps. Locations of minimum number of sampling points that represent the actual spatial structure of DO distribution in the Porsuk Dam Reservoir

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lienhard, D. M.; Huisman, A. J.; Krieger, U. K.

New measurements of water diffusion in secondary organic aerosol (SOA) material produced by oxidation of α-pinene and in a number of organic/inorganic model mixtures (3-methylbutane-1,2,3-tricarboxylic acid (3-MBTCA), levoglucosan, levoglucosan/NH 4HSO 4, raffinose) are presented. These indicate that water diffusion coefficients are determined by several properties of the aerosol substance and cannot be inferred from the glass transition temperature or bouncing properties. Our results suggest that water diffusion in SOA particles is faster than often assumed and imposes no significant kinetic limitation on water uptake and release at temperatures above 220 K. The fast diffusion of water suggests that heterogeneous icemore » nucleation on a glassy core is very unlikely in these systems. At temperatures below 220 K, model simulations of SOA particles suggest that heterogeneous ice nucleation may occur in the immersion mode on glassy cores which remain embedded in a liquid shell when experiencing fast updraft velocities. The particles absorb significant quantities of water during these updrafts which plasticize their outer layers such that these layers equilibrate readily with the gas phase humidity before the homogeneous ice nucleation threshold is reached. Glass formation is thus unlikely to restrict homogeneous ice nucleation. Only under most extreme conditions near the very high tropical tropopause may the homogeneous ice nucleation rate coefficient be reduced as a consequence of slow condensed-phase water diffusion. Since the differences between the behavior limited or non limited by diffusion are small even at the very high tropical tropopause, condensed-phase water diffusivity is unlikely to have significant consequences on the direct climatic effects of SOA particles under tropospheric conditions.« less

Relationship between diffusivity of water molecules inside hydrating tablets and their drug release behavior elucidated by magnetic resonance imaging.

PubMed

Kikuchi, Shingo; Onuki, Yoshinori; Kuribayashi, Hideto; Takayama, Kozo

2012-01-01

We reported previously that sustained release matrix tablets showed zero-order drug release without being affected by pH change. To understand drug release mechanisms more fully, we monitored the swelling and erosion of hydrating tablets using magnetic resonance imaging (MRI). Three different types of tablets comprised of polyion complex-forming materials and a hydroxypropyl methylcellulose (HPMC) were used. Proton density- and diffusion-weighted images of the hydrating tablets were acquired at intervals. Furthermore, apparent self-diffusion coefficient maps were generated from diffusion-weighted imaging to evaluate the state of hydrating tablets. Our findings indicated that water penetration into polyion complex tablets was faster than that into HPMC matrix tablets. In polyion complex tablets, water molecules were dispersed homogeneously and their diffusivity was relatively high, whereas in HPMC matrix tablets, water molecule movement was tightly restricted within the gel. An optimal tablet formulation determined in a previous study had water molecule penetration and diffusivity properties that appeared intermediate to those of polyion complex and HPMC matrix tablets; water molecules were capable of penetrating throughout the tablets and relatively high diffusivity was similar to that in the polyion complex tablet, whereas like the HPMC matrix tablet, it was well swollen. This study succeeded in characterizing the tablet hydration process. MRI provides profound insight into the state of water molecules in hydrating tablets; thus, it is a useful tool for understanding drug release mechanisms at a molecular level.

Interactions of diffuse and focused allogenic recharge in an eogenetic karst aquifer (Florida, USA)

NASA Astrophysics Data System (ADS)

Langston, Abigail L.; Screaton, Elizabeth J.; Martin, Jonathan B.; Bailly-Comte, Vincent

2012-06-01

The karstic upper Floridan aquifer in north-central Florida (USA) is recharged by both diffuse and allogenic recharge. To understand how recharged water moves within the aquifer, water levels and specific conductivities were monitored and slug tests were conducted in wells installed in the aquifer surrounding the Santa Fe River Sink and Rise. Results indicate that diffuse recharge does not mix rapidly within the aquifer but instead flows horizontally. Stratification may be aided by the high matrix porosity of the eogenetic karst aquifer. Purging wells for sample collection perturbed conductivity for several days, reflecting mixing of the stratified water and rendering collection of representative samples difficult. Interpretive numerical simulations suggest that diffuse recharge impacts the intrusion of allogenic water from the conduit by increasing hydraulic head in the surrounding aquifer and thereby reducing influx to the aquifer from the conduit. In turn, the increase of head within the conduits affects flow paths of diffuse recharge by moving newly recharged water vertically as the water table rises and falls. This movement may result in a broad vertical zone of dissolution at the water table above the conduit system, with thinner and more focused water-table dissolution at greater distance from the conduit.

Assessing the Impact of Agricultural Pressures on N and P Loads and Potential Eutrophication Risk at Regional Scales

NASA Astrophysics Data System (ADS)

Dupas, R.; Gascuel-odoux, C.; Delmas, M.; Moatar, F.

2014-12-01

Excessive nutrient loading of freshwater bodies results in increased eutrophication risk worldwide. The processes controlling N/P transfer in agricultural landscapes are well documented through scientific studies conducted in intensively monitored catchments. However, managers need tools to assess water quality and evaluate the contribution of agriculture to eutrophication at regional scales, including unmonitored or poorly monitored areas. To this end, we present an assessment framework which includes: i) a mass-balance model to estimate diffuse N/P transfer and retention and ii) indicators based on N:P:Si molar ratios to assess potential eutrophication risk from external loads. The model, called Nutting (Dupas et al., 2013), integrates variables for both detailed description of agricultural pressures (N surplus, soil P content) and characterisation of physical attributes of catchments (including spatial attributes). It was calibrated on 160 catchments, and applied to 2210 unmonitored headwater bodies in France (Dupas et al., under review). N and P retention represented 53% and 95% of soil N and P surplus, respectively, and was mainly controlled by runoff and an index characterising infiltration/runoff properties. According to our estimates, diffuse agricultural sources represented a mean of 97% of N loads and N exceeded Si in 93% of the catchments, whilst they represented 46% of P loads and P exceeded Si in 26-65% of the catchments. Estimated eutrophication risk was highly sensitive to assumptions about P bioavailability, hence the range of headwaters potentially at risk spanned 26-63% of the catchments, depending on assumptions. To reduce this uncertainty, we recommend introducing P bioavailability tests in water monitoring programs, especially in sensitive areas. Dupas R et al. Assessing N emissions in surface water at the national level: comparison of country-wide vs. regionalized models. Sci Total Environ 2013; 443: 152-62. Dupas R et al. Assessing the impact of agricultural pressures on N and P loads and eutrophication risk (under review).

Diffusion of water and sodium counter-ions in nanopores of a β-lactoglobulin crystal: a molecular dynamics study

NASA Astrophysics Data System (ADS)

Malek, Kourosh; Odijk, Theo; Coppens, Marc-Olivier

2005-07-01

The dynamics of water and sodium counter-ions (Na+) in a C2221 orthorhombic β-lactoglobulin crystal is investigated by means of 5 ns molecular dynamics simulations. The effect of the fluctuation of the protein atoms on the motion of water and sodium ions is studied by comparing simulations in a rigid and in a flexible lattice. The electrostatic interactions of sodium ions with the positively charged LYS residues inside the crystal channels significantly influence the ionic motion. According to our results, water molecules close to the protein surface undergo an anomalous diffusive motion. On the other hand, the motion of water molecules further away from the protein surface is normal diffusive. Protein fluctuations affect the diffusion constant of water, which increases from 0.646 ± 0.108 to 0.887 ± 0.41 nm2 ns-1, when protein fluctuations are taken into account. The pore size (0.63-1.05 nm) and the water diffusivities are in good agreement with previous experimental results. The dynamics of sodium ions is disordered. LYS residues inside the pore are the main obstacles to the motion of sodium ions. However, the simulation time is still too short for providing a precise description of anomalous diffusion of sodium ions. The results are not only of interest for studying ion and water transport through biological nanopores, but may also elucidate water-protein and ion-protein interactions in protein crystals.

Anatomical explanations for acute depressions in radial pattern of axial sap flow in two diffuse-porous mangrove species: implications for water use.

PubMed

Zhao, Hewei; Yang, Shengchang; Guo, Xudong; Peng, Congjiao; Gu, Xiaoxuan; Deng, Chuanyuan; Chen, Luzhen

2018-02-01

Mangrove species have developed uniquely efficient water-use strategies in order to survive in highly saline and anaerobic environments. Herein, we estimated the stand water use of two diffuse-porous mangrove species of the same age, Sonneratia apetala Buch. Ham and Sonneratia caseolaris (L.) Engl., growing in a similar intertidal environment. Specifically, to investigate the radial patterns of axial sap flow density (Js) and understand the anatomical traits associated with them, we measured axial sap flow density in situ together with micromorphological observations. A significant decrease of Js was observed for both species. This result was accompanied by the corresponding observations of wood structure and blockages in xylem sapwood, which appeared to influence and, hence, explained the acute radial reductions of axial sap flow in the stems of both species. However, higher radial resistance in sapwood of S. caseolaris caused a steeper decline of Js radially when compared with S. apetala, thus explaining the latter's more efficient use of water. Without first considering acute reductions in Js into the sapwood from the outer bark, a total of ~55% and 51% of water use would have been overestimated, corresponding to average discrepancies in stand water use of 5.6 mm day-1 for S. apetala trees and 2.5 mm day-1 for S. caseolaris trees. This suggests that measuring radial pattern of Js is a critical factor in determining whole-tree or stand water use. © The Author(s) 2018. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Demonstration of Nonlinearity Bias in the Measurement of the Apparent Diffusion Coefficient in Multicenter Trials

PubMed Central

Malyarenko, Dariya; Newitt, David; Wilmes, Lisa; Tudorica, Alina; Helmer, Karl G.; Arlinghaus, Lori R.; Jacobs, Michael A.; Jajamovich, Guido; Taouli, Bachir; Yankeelov, Thomas E.; Huang, Wei; Chenevert, Thomas L.

2015-01-01

Purpose Characterize system-specific bias across common magnetic resonance imaging (MRI) platforms for quantitative diffusion measurements in multicenter trials. Methods Diffusion weighted imaging (DWI) was performed on an ice-water phantom along the superior-inferior (SI) and right-left (RL) orientations spanning ±150 mm. The same scanning protocol was implemented on 14 MRI systems at seven imaging centers. The bias was estimated as a deviation of measured from known apparent diffusion coefficient (ADC) along individual DWI directions. The relative contributions of gradient nonlinearity, shim errors, imaging gradients and eddy currents were assessed independently. The observed bias errors were compared to numerical models. Results The measured systematic ADC errors scaled quadratically with offset from isocenter, and ranged between −55% (SI) and 25% (RL). Nonlinearity bias was dependent on system design and diffusion gradient direction. Consistent with numerical models, minor ADC errors (±5%) due to shim, imaging and eddy currents were mitigated by double echo DWI and image co-registration of individual gradient directions. Conclusion The analysis confirms gradient nonlinearity as a major source of spatial DW bias and variability in off-center ADC measurements across MRI platforms, with minor contributions from shim, imaging gradients and eddy currents. The developed protocol enables empiric description of systematic bias in multicenter quantitative DWI studies. PMID:25940607

Bessel Fourier Orientation Reconstruction (BFOR): An Analytical Diffusion Propagator Reconstruction for Hybrid Diffusion Imaging and Computation of q-Space Indices

PubMed Central

Hosseinbor, A. Pasha; Chung, Moo K.; Wu, Yu-Chien; Alexander, Andrew L.

2012-01-01

The ensemble average propagator (EAP) describes the 3D average diffusion process of water molecules, capturing both its radial and angular contents. The EAP can thus provide richer information about complex tissue microstructure properties than the orientation distribution function (ODF), an angular feature of the EAP. Recently, several analytical EAP reconstruction schemes for multiple q-shell acquisitions have been proposed, such as diffusion propagator imaging (DPI) and spherical polar Fourier imaging (SPFI). In this study, a new analytical EAP reconstruction method is proposed, called Bessel Fourier orientation reconstruction (BFOR), whose solution is based on heat equation estimation of the diffusion signal for each shell acquisition, and is validated on both synthetic and real datasets. A significant portion of the paper is dedicated to comparing BFOR, SPFI, and DPI using hybrid, non-Cartesian sampling for multiple b-value acquisitions. Ways to mitigate the effects of Gibbs ringing on EAP reconstruction are also explored. In addition to analytical EAP reconstruction, the aforementioned modeling bases can be used to obtain rotationally invariant q-space indices of potential clinical value, an avenue which has not yet been thoroughly explored. Three such measures are computed: zero-displacement probability (Po), mean squared displacement (MSD), and generalized fractional anisotropy (GFA). PMID:22963853

Demonstration of nonlinearity bias in the measurement of the apparent diffusion coefficient in multicenter trials.

PubMed

Malyarenko, Dariya I; Newitt, David; J Wilmes, Lisa; Tudorica, Alina; Helmer, Karl G; Arlinghaus, Lori R; Jacobs, Michael A; Jajamovich, Guido; Taouli, Bachir; Yankeelov, Thomas E; Huang, Wei; Chenevert, Thomas L

2016-03-01

Characterize system-specific bias across common magnetic resonance imaging (MRI) platforms for quantitative diffusion measurements in multicenter trials. Diffusion weighted imaging (DWI) was performed on an ice-water phantom along the superior-inferior (SI) and right-left (RL) orientations spanning ± 150 mm. The same scanning protocol was implemented on 14 MRI systems at seven imaging centers. The bias was estimated as a deviation of measured from known apparent diffusion coefficient (ADC) along individual DWI directions. The relative contributions of gradient nonlinearity, shim errors, imaging gradients, and eddy currents were assessed independently. The observed bias errors were compared with numerical models. The measured systematic ADC errors scaled quadratically with offset from isocenter, and ranged between -55% (SI) and 25% (RL). Nonlinearity bias was dependent on system design and diffusion gradient direction. Consistent with numerical models, minor ADC errors (± 5%) due to shim, imaging and eddy currents were mitigated by double echo DWI and image coregistration of individual gradient directions. The analysis confirms gradient nonlinearity as a major source of spatial DW bias and variability in off-center ADC measurements across MRI platforms, with minor contributions from shim, imaging gradients and eddy currents. The developed protocol enables empiric description of systematic bias in multicenter quantitative DWI studies. © 2015 Wiley Periodicals, Inc.

Atom-Probe Tomography, TEM and ToF-SIMS study of borosilicate glass alteration rim: A multiscale approach to investigating rate-limiting mechanisms

NASA Astrophysics Data System (ADS)

Gin, S.; Jollivet, P.; Barba Rossa, G.; Tribet, M.; Mougnaud, S.; Collin, M.; Fournier, M.; Cadel, E.; Cabie, M.; Dupuy, L.

2017-04-01

Significant efforts have been made into understanding the dissolution of silicate glasses and minerals, but there is still debate about the formation processes and the properties of surface layers. Here, we investigate glass coupons of ISG glass - a 6 oxide borosilicate glass of nuclear interest - altered at 90 °C in conditions close to saturation and for durations ranging from 1 to 875 days. Altered glass coupons were characterized from atomic to macroscopic levels to better understand how surface layers become protective. With this approach, it was shown that a rough interface, whose physical characteristics have been modeled, formed in a few days and then propagated into the pristine material at a rate controlled by the reactive transport of water within the growing alteration layer. Several observations such as stiff interfacial B, Na, and Ca profiles and damped profiles within the rest of the alteration layer are not consistent with the classical inter-diffusion model, or with the interfacial dissolution-precipitation model. A new paradigm is proposed to explain these features. Inter-diffusion, a process based on water ingress into the glass and ion-exchange, may only explain the formation of the rough interface in the early stage of glass corrosion. A thin layer of altered glass is formed by this process, and as the layer grows, the accessibility of water to the reactive interface becomes rate-limiting. As a consequence, only the most easily accessible species are dissolved. The others remain undissolved in the alteration layer, probably fixed in highly hydrolysis resistant clusters. A new estimation of water diffusivity in the glass when covered by the passivating layer was determined from the shift between B and H profiles, and was 10-23 m2.s-1, i.e. approximately 3 orders of magnitude lower than water diffusivity in the pristine material. Overall, in the absence of secondary crystalline phases that could consume the major components of the alteration layer (Si, Al), it is assumed that the glass dissolution rate continuously decreases due to the growth of the transport limiting alteration layer, in good agreement with residual rates reported in the literature for this glass. According to our results it can be expected that new kinetic models should emerge from an accurate time dependent budget of water within the nanoporous alteration layer.

Numerical modeling of sorption kinetics of organic compounds to soil and sediment particles

NASA Astrophysics Data System (ADS)

Wu, Shian-chee; Gschwend, Phillip M.

1988-08-01

A numerical model is developed to simulate hydrophobic organic compound sorption kinetics, based on a retarded intraaggregate diffusion conceptualization of this solid-water exchange process. This model was used to ascertain the sensitivity of the sorption process for various sorbates to nonsteady solution concentrations and to polydisperse soil or sediment aggregate particle size distributions. Common approaches to modeling sorption kinetics amount to simplifications of our model and appear justified only when (1) the concentration fluctuations occur on a time scale which matches the sorption timescale of interest and (2) the particle size distribution is relatively narrow. Finally, a means is provided to estimate the extent of approach of a sorbing system to equilibrium as a function of aggregate size, chemical diffusivity and hydrophobicity, and system solids concentration.

Comparison of passive diffusion bag samplers and submersible pump sampling methods for monitoring volatile organic compounds in ground water at Area 6, Naval Air Station, Whidbey Island, Washington

USGS Publications Warehouse

Huffman, Raegan L.

2002-01-01

Ground-water samples were collected in April 1999 at Naval Air Station Whidbey Island, Washington, with passive diffusion samplers and a submersible pump to compare concentrations of volatile organic compounds (VOCs) in water samples collected using the two sampling methods. Single diffusion samplers were installed in wells with 10-foot screened intervals, and multiple diffusion samplers were installed in wells with 20- to 40-foot screened intervals. The diffusion samplers were recovered after 20 days and the wells were then sampled using a submersible pump. VOC concentrations in the 10-foot screened wells in water samples collected with diffusion samplers closely matched concentrations in samples collected with the submersible pump. Analysis of VOC concentrations in samples collected from the 20- to 40-foot screened wells with multiple diffusion samplers indicated vertical concentration variation within the screened interval, whereas the analysis of VOC concentrations in samples collected with the submersible pump indicated mixing during pumping. The results obtained using the two sampling methods indicate that the samples collected with the diffusion samplers were comparable with and can be considerably less expensive than samples collected using a submersible pump.

Nonideality in diffusion of ionic and hydrophobic solutes and pair dynamics in water-acetone mixtures of varying composition.

PubMed

Gupta, Rini; Chandra, Amalendu

2007-07-14

We have performed a series of molecular dynamics simulations of water-acetone mixtures containing either an ionic solute or a neutral hydrophobic solute to study the extent of nonideality in the dynamics of these solutes with variation of composition of the mixtures. The diffusion coefficients of the charged solutes, both cationic and anionic, are found to change nonmonotonically with the composition of the mixtures showing strong nonideality of their dynamics. Also, the extent of nonideality in the diffusion of these charged solutes is found to be similar to the nonideality that is observed for the diffusion and orientational relaxation of water and acetone molecules in these mixtures which show a somewhat similar changes in the solvation characteristics of charged and dipolar solutes with changes of composition of water-acetone mixtures. The diffusion of the hydrophobic solute, however, shows a monotonic increase with increase of acetone concentration showing its different solvation characteristics as compared to the charged and dipolar solutes. The links between the nonideality in diffusion and solvation structures are further confirmed through calculations of the relevant solute-solvent and solvent-solvent radial distribution functions for both ionic and hydrophobic solutes. We have also calculated various pair dynamical properties such as the relaxation of water-water and acetone-water hydrogen bonds and residence dynamics of water molecules in water and acetone hydration shells. The lifetimes of both water-water and acetone-water hydrogen bonds and also the residence times of water molecules are found to increase steadily with increase in acetone concentration. No maximum or minimum was found in the composition dependence of these pair dynamical quantities. The lifetimes of water-water hydrogen bonds are always found to be longer than that of acetone-water hydrogen bonds in these mixtures. The residence times of water molecules are also found to follow a similar trend.

Sources of nitrogen and phosphorus emissions to Irish rivers and coastal waters: Estimates from a nutrient load apportionment framework.

PubMed

Mockler, Eva M; Deakin, Jenny; Archbold, Marie; Gill, Laurence; Daly, Donal; Bruen, Michael

2017-12-01

More than half of surface water bodies in Europe are at less than good ecological status according to Water Framework Directive assessments, and diffuse pollution from agriculture remains a major, but not the only, cause of this poor performance. Agri-environmental policy and land management practices have, in many areas, reduced nutrient emissions to water. However, additional measures may be required in Ireland to further decouple the relationship between agricultural productivity and emissions to water, which is of vital importance given on-going agricultural intensification. The Source Load Apportionment Model (SLAM) framework characterises sources of phosphorus (P) and nitrogen (N) emissions to water at a range of scales from sub-catchment to national. The SLAM synthesises land use and physical characteristics to predict emissions from point (wastewater, industry discharges and septic tank systems) and diffuse sources (agriculture, forestry, etc.). The predicted annual nutrient emissions were assessed against monitoring data for 16 major river catchments covering 50% of the area of Ireland. At national scale, results indicate that total average annual emissions to surface water in Ireland are over 2700tyr -1 of P and 82,000tyr -1 of N. The proportional contributions from individual sources show that the main sources of P are from municipal wastewater treatment plants and agriculture, with wide variations across the country related to local anthropogenic pressures and the hydrogeological setting. Agriculture is the main source of N emissions to water across all regions of Ireland. These policy-relevant results synthesised large amounts of information in order to identify the dominant sources of nutrients at regional and local scales, contributing to the national nutrient risk assessment of Irish water bodies. Copyright © 2017 The Authors. Published by Elsevier B.V. All rights reserved.

Continuous Diffusion Model for Concentration Dependence of Nitroxide EPR Parameters in Normal and Supercooled Water.

PubMed

Merunka, Dalibor; Peric, Miroslav

2017-05-25

Electron paramagnetic resonance (EPR) spectra of radicals in solution depend on their relative motion, which modulates the Heisenberg spin exchange and dipole-dipole interactions between them. To gain information on radical diffusion from EPR spectra demands both reliable spectral fitting to find the concentration coefficients of EPR parameters and valid expressions between the concentration and diffusion coefficients. Here, we measured EPR spectra of the 14 N- and 15 N-labeled perdeuterated TEMPONE radicals in normal and supercooled water at various concentrations. By fitting the EPR spectra to the functions based on the modified Bloch equations, we obtained the concentration coefficients for the spin dephasing, coherence transfer, and hyperfine splitting parameters. Assuming the continuous diffusion model for radical motion, the diffusion coefficients of radicals were calculated from the concentration coefficients using the standard relations and the relations derived from the kinetic equations for the spin evolution of a radical pair. The latter relations give better agreement between the diffusion coefficients calculated from different concentration coefficients. The diffusion coefficients are similar for both radicals, which supports the presented method. They decrease with lowering temperature slower than is predicted by the Stokes-Einstein relation and slower than the rotational diffusion coefficients, which is similar to the diffusion of water molecules in supercooled water.

Small ponds play big role in greenhouse gas emissions from inland waters

NASA Astrophysics Data System (ADS)

Holgerson, M.; Raymond, P. A.

2017-12-01

Inland waters are an important part of the global carbon cycle, but there is uncertainty in estimating their greenhouse gas emissions. Uncertainty stems from different models and variable estimates of surface water gas concentrations, gas exchange rates, and the global size distribution of water bodies. Emissions from small water bodies are especially difficult to estimate because they are not globally mapped and few studies have assessed their greenhouse gas concentrations and gas exchange rates. To overcome these limitations, we studied greenhouse gases and gas exchange rates in small ponds in temperate forests of the northeastern United States. We then compiled our data with direct measurements of CO2 and CH4 concentrations from 427 ponds and lakes worldwide, and upscaled to estimate greenhouse gas emissions using estimates of gas exchange rates and the size distribution of lakes. We found that small ponds play a disproportionately large role in greenhouse gas emissions. While small ponds only account for about 9% of global lakes and ponds by area, they contribute 15% of CO2 and 41% of diffusive CH4 emissions from inland freshwaters. Secondly, we measured gas exchange velocities (k) in small ponds and compiled direct measurements of k from 67 global water bodies. We found that k is low but highly variable in small ponds, and increases and becomes even more variable with lake size, a finding that is not currently included in global carbon models. In a third study, we found that gas exchange in small ponds is highly sensitive to overnight cooling, which can lead to short bursts of increased k at night, with implications for greenhouse gas emissions. Overall, these studies show that small ponds are a critical part of the global carbon cycle, and also highlight many knowledge gaps. Therefore, understanding small pond carbon cycling is an important research priority.

Double-diffusive layers in the Adriatic Sea

NASA Astrophysics Data System (ADS)

Carniel, Sandro; Sclavo, Mauro; Kantha, Lakshmi; Prandke, Hartmut

2008-01-01

A microstructure profiler was deployed to make turbulence measurements in the upper layers of the southern Adriatic Sea in the Mediterranean during the Naval Research Laboratory (NRL) DART06A (Dynamics of the Adriatic in Real Time) winter cruise in March 2006. Measurements in the Po river plume along the Italian coast near the Gargano promontory displayed classic double-diffusive layers and staircase structures resulting from the relatively colder and fresher wintertime Po river outflow water masses overlying warmer and more saline water masses from the Adriatic Sea. We report here on the water mass and turbulence structure measurements made both in the double-diffusive interfaces and the adjoining mixed layers in the water columns undergoing double-diffusive convection (DDC). This dataset augments the relatively sparse observations available hitherto on the diffusive layer type of DDC. Measured turbulence diffusivities are consistent with those from earlier theoretical and experimental formulations, suggesting that the wintertime Po river plume is a convenient and easily accessible place to study double diffusive convective processes of importance to mixing in the interior of many regions of the global oceans.

Uncertainties of parameterized surface downward clear-sky shortwave and all-sky longwave radiation.

NASA Astrophysics Data System (ADS)

Gubler, S.; Gruber, S.; Purves, R. S.

2012-06-01

As many environmental models rely on simulating the energy balance at the Earth's surface based on parameterized radiative fluxes, knowledge of the inherent model uncertainties is important. In this study we evaluate one parameterization of clear-sky direct, diffuse and global shortwave downward radiation (SDR) and diverse parameterizations of clear-sky and all-sky longwave downward radiation (LDR). In a first step, SDR is estimated based on measured input variables and estimated atmospheric parameters for hourly time steps during the years 1996 to 2008. Model behaviour is validated using the high quality measurements of six Alpine Surface Radiation Budget (ASRB) stations in Switzerland covering different elevations, and measurements of the Swiss Alpine Climate Radiation Monitoring network (SACRaM) in Payerne. In a next step, twelve clear-sky LDR parameterizations are calibrated using the ASRB measurements. One of the best performing parameterizations is elected to estimate all-sky LDR, where cloud transmissivity is estimated using measured and modeled global SDR during daytime. In a last step, the performance of several interpolation methods is evaluated to determine the cloud transmissivity in the night. We show that clear-sky direct, diffuse and global SDR is adequately represented by the model when using measurements of the atmospheric parameters precipitable water and aerosol content at Payerne. If the atmospheric parameters are estimated and used as a fix value, the relative mean bias deviance (MBD) and the relative root mean squared deviance (RMSD) of the clear-sky global SDR scatter between between -2 and 5%, and 7 and 13% within the six locations. The small errors in clear-sky global SDR can be attributed to compensating effects of modeled direct and diffuse SDR since an overestimation of aerosol content in the atmosphere results in underestimating the direct, but overestimating the diffuse SDR. Calibration of LDR parameterizations to local conditions reduces MBD and RMSD strongly compared to using the published values of the parameters, resulting in relative MBD and RMSD of less than 5% respectively 10% for the best parameterizations. The best results to estimate cloud transmissivity during nighttime were obtained by linearly interpolating the average of the cloud transmissivity of the four hours of the preceeding afternoon and the following morning. Model uncertainty can be caused by different errors such as code implementation, errors in input data and in estimated parameters, etc. The influence of the latter (errors in input data and model parameter uncertainty) on model outputs is determined using Monte Carlo. Model uncertainty is provided as the relative standard deviation σrel of the simulated frequency distributions of the model outputs. An optimistic estimate of the relative uncertainty σrel resulted in 10% for the clear-sky direct, 30% for diffuse, 3% for global SDR, and 3% for the fitted all-sky LDR.

(U-Th)/He ages of phosphates from Zagami and ALHA77005 Martian meteorites: Implications to shock temperatures

NASA Astrophysics Data System (ADS)

Min, Kyoungwon; Farah, Annette E.; Lee, Seung Ryeol; Lee, Jong Ik

2017-01-01

Shock conditions of Martian meteorites provide crucial information about ejection dynamics and original features of the Martian rocks. To better constrain equilibrium shock temperatures (Tequi-shock) of Martian meteorites, we investigated (U-Th)/He systematics of moderately-shocked (Zagami) and intensively shocked (ALHA77005) Martian meteorites. Multiple phosphate aggregates from Zagami and ALHA77005 yielded overall (U-Th)/He ages 92.2 ± 4.4 Ma (2σ) and 8.4 ± 1.2 Ma, respectively. These ages correspond to fractional losses of 0.49 ± 0.03 (Zagami) and 0.97 ± 0.01 (ALHA77005), assuming that the ejection-related shock event at ∼3 Ma is solely responsible for diffusive helium loss since crystallization. For He diffusion modeling, the diffusion domain radius is estimated based on detailed examination of fracture patterns in phosphates using a scanning electron microscope. For Zagami, the diffusion domain radius is estimated to be ∼2-9 μm, which is generally consistent with calculations from isothermal heating experiments (1-4 μm). For ALHA77005, the diffusion domain radius of ∼4-20 μm is estimated. Using the newly constrained (U-Th)/He data, diffusion domain radii, and other previously estimated parameters, the conductive cooling models yield Tequi-shock estimates of 360-410 °C and 460-560 °C for Zagami and ALHA77005, respectively. According to the sensitivity test, the estimated Tequi-shock values are relatively robust to input parameters. The Tequi-shock estimates for Zagami are more robust than those for ALHA77005, primarily because Zagami yielded intermediate fHe value (0.49) compared to ALHA77005 (0.97). For less intensively shocked Zagami, the He diffusion-based Tequi-shock estimates (this study) are significantly higher than expected from previously reported Tpost-shock values. For intensively shocked ALHA77005, the two independent approaches yielded generally consistent results. Using two other examples of previously studied Martian meteorites (ALHA84001 and Los Angeles), we compared Tequi-shock and Tpost-shock estimates. For intensively shocked meteorites (ALHA77005, Los Angeles), the He diffusion-based approach yield slightly higher or consistent Tequi-shock with estimations from Tpost-shock, and the discrepancy between the two methods increases as the intensity of shock increases. The reason for the discrepancy between the two methods, particularly for less-intensively shocked meteorites (Zagami, ALHA84001), remains to be resolved, but we prefer the He diffusion-based approach because its Tequi-shock estimates are relatively robust to input parameters.

Diffusion of Water through Olivine and Clinopyroxene: Implications for Melt Inclusion Fidelity

NASA Astrophysics Data System (ADS)

Plank, T. A.; Lloyd, A. S.; Ferriss, E.

2016-12-01

The maximum H2O concentrations measured in olivine-hosted melt inclusions (MIs) from arc tephra fall within a narrow range of 3-5 wt%. A major question is whether this reflects parental water concentrations or diffusive exchange through the host crystal during storage and ascent. Laboratory experiments have shown that water can diffuse through 500 micron olivine in minutes to days at 1100°C. We have tested these predictions with a natural experiment using volatile (H2O, CO2, S) diffusion along melt embayments to constrain ascent rates during the 1974 eruption of Volcan Fuego to 5-8 minutes from 7 km depth [1]. Thus, olivine-hosted MIs may move from their storage region to the surface during some eruptions rapidly enough to retain almost all of their original water. Only the smallest MIs (< 30 microns) will lose any water during such fast ascent, even for the fastest diffusion mechanism through olivine. We have also assessed the potential for clinopyroxene (cpx) to retain water (as H+) during magma ascent. In the same 1974 Fuego deposits, cpx crystals show H-loss on their rims and even from their interiors. Such diffusive loss in 5-8 minutes requires rapid diffusion of H in cpx, comparable to olivine and melt, and consistent with our recent laboratory experiments dehydrating Fe-bearing cpx [2]. Although H-diffusion is dependent on the site occupancy, all sites may lose H rapidly in cpx with Mg# < 92.5. While cpx and olivine may lose H during ascent and degassing, olivine-hosted MIs stand a better chance of retaining water due to the very low partitioning of water in olivine (D 0.001). The most favorable conditions for faithful retention of parental water concentrations involve a) rapid ascent (< hr.) from H2O-undersaturated reservoirs (prior to major water degassing), b) minerals with low partition coefficients for water, c) large crystals (>500 microns) and large melt inclusions (>50 microns), and 4) rapid post-eruptive cooling (< 1min, clast sizes < 1 cm). The rapid diffusion of H through olivine and cpx presents a challenge to MI fidelity, but not necessarily if the above conditions are met. [1] Lloyd et al., 2014, JVGR. [2] Ferriss et al., 2016, AmMin.

Implications of climate change for evaporation from bare soils in a Mediterranean environment.

PubMed

Aydin, Mehmet; Yano, Tomohisa; Evrendilek, Fatih; Uygur, Veli

2008-05-01

The purpose of this study was to predict quantitative changes in evaporation from bare soils in the Mediterranean climate region of Turkey in response to the projections of a regional climate model developed in Japan (hereafter RCM). Daily RCM data for the estimation of reference evapotranspiration (ETr) and soil evaporation were obtained for the periods of 1994--2003 and 2070--2079. Potential evaporation (Ep) from bare soils was calculated using the Penman-Monteith equation with a surface resistance of zero. Simulation of actual soil evaporation (Ea) was carried out using Aydin model (Aydin et al., Ecological Modelling 182:91-105, 2005) combined with Aydin and Uygur (2006, A model for estimating soil water potential of bare fields. In Proceedings of the 18th International Soil Meeting (ISM) on Soils Sustaining Life on Earth, Managing Soil and Technology, Sanliurfa, 477-480pp.) model of predicting soil water potential at the top surface layer of a bare soil, after performances of Aydin model (R2 = 94.0%) and Aydin and Uygur model (R2 = 97.6) were tested. The latter model is based on the relations among potential soil evaporation, hydraulic diffusivity, and soil wetness, with some simplified assumptions. Input parameters of the model are simple and easily obtainable such as climatic parameters used to compute the potential soil evaporation, average diffusivity for the drying soil, and volumetric water content at field capacity. The combination of Aydin and Aydin and Uygur models appeared to be useful in estimating water potential of soils and Ea from bare soils, with only a few parameters. Unlike ETr and Ep projected to increase by 92 and 69 mm (equivalent to 8.0 and 7.3% increases) due to the elevated evaporative demand of the atmosphere, respectively, Ea from bare soils is projected to reduce by 50 mm (equivalent to a 16.5% decrease) in response to a decrease in rainfall by 46% in the Mediterranean region of Turkey by the 2070s predicted by RCM, and consequently, to decreased soil wetness in the future.

Heat Fluxes and Evaporation Measurements by Multi-Function Heat Pulse Probe: a Laboratory Experiment

NASA Astrophysics Data System (ADS)

Sharma, V.; Ciocca, F.; Hopmans, J. W.; Kamai, T.; Lunati, I.; Parlange, M. B.

2012-04-01

Multi Functional Heat Pulse Probes (MFHPP) are multi-needles probes developed in the last years able to measure temperature, thermal properties such as thermal diffusivity and volumetric heat capacity, from which soil moisture is directly retrieved, and electric conductivity (through a Wenner array). They allow the simultaneous measurement of coupled heat, water and solute transport in porous media, then. The use of only one instrument to estimate different quantities in the same volume and almost at the same time significantly reduces the need to interpolate different measurement types in space and time, increasing the ability to study the interdependencies characterizing the coupled transports, especially of water and heat, and water and solute. A three steps laboratory experiment is realized at EPFL to investigate the effectiveness and reliability of the MFHPP responses in a loamy soil from Conthey, Switzerland. In the first step specific calibration curves of volumetric heat capacity and thermal conductivity as function of known volumetric water content are obtained placing the MFHPP in small samplers filled with the soil homogeneously packed at different saturation degrees. The results are compared with literature values. In the second stage the ability of the MFHPP to measure heat fluxes is tested within a homemade thermally insulated calibration box and results are matched with those by two self-calibrating Heatflux plates (from Huxseflux), placed in the same box. In the last step the MFHPP are used to estimate the cumulative subsurface evaporation inside a small column (30 centimeters height per 8 centimeters inner diameter), placed on a scale, filled with the same loamy soil (homogeneously packed and then saturated) and equipped with a vertical array of four MFHPP inserted close to the surface. The subsurface evaporation is calculated from the difference between the net sensible heat and the net heat storage in the volume scanned by the probes, and the values obtained are matched with the overall evaporation, estimated through the scale in terms of weight loss. A numerical model able to solve the coupled heat-moisture diffusive equations is used to interpolate the obtained measures in the second and third step.

Modeling Photosynthetically Active Radiation in Water of Tampa Bay, Florida, with Emphasis on the Geometry of Incident Irradiance

NASA Astrophysics Data System (ADS)

Miller, Ronald L.; McPherson, Benjamin F.

1995-04-01

Field studies that compare the spatial and temporal variation in light attenuation often neglect effects of solar elevation angle, yet these effects can be significant. To approximately correct for these angular effects, we developed a model that uses a simplified geometric description of incident direct solar beam and diffuse skylight. The model incorporates effects of solar elevation angle and cloudiness on the amount of in-air photosynthetically active radiation (PAR) that passes through the air-water interface and on K0in waters of relatively low turbidity. The model was calibrated with 3266 5-min averages of scalar PAR measured in air and at two depths in water and permits the value of K0to be adjusted approximately for the effects of time of day, season and cloudiness. The model was then used with 255 days of in-air PAR data (15-min averages) to evaluate irradiance that entered the water and attenuation in the water. On an annual basis, 49% of the incident scalar irradiance, or 380 μmol m -2s -1, was estimated to enter the water of Tampa Bay. The value of K0was estimated to vary as much as 41% on a clear summer day due to changes in solar elevation angle. The model was used to make estimates of the depth to which sea-grasses might receive adequate light for survival for a range of values of K0. This approach should be useful for projecting the effect of changes in water clarity on the depth of sea-grass survival and for comparing values of K0collected at different times of day and in different seasons.

Ventilation of the Subtropical North Atlantic: Locations and Times of Last Ventilation Estimated Using Tracer Constraints From GEOTRACES Section GA03

NASA Astrophysics Data System (ADS)

Holzer, Mark; Smethie, William M.; Ting, Yu-Heng

2018-04-01

The ventilation of the subtropical North Atlantic along GEOTRACES section GA03 is quantified in terms of where and how long ago water was last in the mixed layer. Measurements of T, S, PO4∗, CFC-11, CFC-12, SF6, and estimates of prebomb 14C are deconvolved for the boundary propagator G using a maximum-entropy approach. From G, we calculate the fractions of water last ventilated in specified surface regions Ωw. We estimate that (56 ± 13)% of the water deeper than 1,000 m was ventilated in northern high latitudes, (15 ± 5)% in the Mediterranean, and (27 ± 12)% in the Southern Ocean. Below the thermocline and outside the deep western boundary current, mean ages of Ωw-ventilated water exceed a century. Consequently, memory of where last ventilation occurred tends to get lost and the deep mean-age patterns of Ωw-ventilated water are broadly similar for all Ωw. The mean ventilation ages, averaged over the section with Ωw-fraction weights, are roughly 200 years for all deep water masses except for water last ventilated south of the Antarctic divergence, which is about twice as old. The uncertainties in the section-mean profiles of the Ωw fractions and their mean ages are ˜50% and ˜20%, respectively. The Ωw fractions have vertically diffuse overlapping patterns suggesting significant diapycnal mixing, consistent with century-scale mean ages. We quantify the seasonal cycle of ventilation and find that in both hemispheres peak ventilation occurs during late winter and early spring, but Northern Hemisphere ventilated deep waters have a more pronounced seasonal cycle with nearly zero summertime ventilation.

Concentration dependency in nicotine skin penetration flux from aqueous solutions reflects vehicle induced changes in nicotine stratum corneum retention.

PubMed

Kuswahyuning, Rina; Roberts, Michael S

2014-06-01

This study sought to understand the mechanism by which the steady state flux of nicotine across the human skin from aqueous solutions is markedly decreased at higher nicotine concentrations. Nicotine's steady state flux through human epidermis and its amount in the stratum corneum for a range of aqueous nicotine solutions was determined using Franz diffusion cells, with the nicotine analysed by high performance liquid chromatography (HPLC). Nicotine's thermodynamic activity in the various solutions was estimated from its partial vapour pressure and stratum corneum hydration was determined using a corneometer. The amount of nicotine retained in the stratum corneum was estimated from the nicotine amount found in individual stratum corneum tape strips and a D-Squame determined weight for each strip. The observed steady state flux of nicotine across human epidermis was found to show a parabolic dependence on nicotine concentration, with the flux proportional to its thermodynamic activity up to a concentration of 48% w/w. The nicotine retention in the stratum corneum showed a similar dependency on concentration whereas the diffusivity of nicotine in the stratum corneum appeared to be concentration independent. This retention, in turn, could be estimated from the extent of stratum corneum hydration and the nicotine concentration in the applied solution and volume of water in the skin. Nonlinear dependency of nicotine skin flux on its concentration results from a dehydration induced decrease in its stratum corneum retention at higher concentration and not dehydration induced changes nicotine diffusivity in the stratum corneum.

Bulk canopy resistance: Modeling for the estimation of actual evapotranspiration of maize

NASA Astrophysics Data System (ADS)

Gharsallah, O.; Corbari, C.; Mancini, M.; Rana, G.

2009-04-01

Due to the scarcity of water resources, the correct evaluation of water losses by the crops as evapotranspiration (ET) is very important in irrigation management. This work presents a model for estimating actual evapotranspiration on hourly and daily scales of maize crop grown in well water condition in the Lombardia Region (North Italy). The maize is a difficult crop to model from the soil-canopy-atmosphere point of view, due to its very complex architecture and big height. The present ET model is based on the Penman-Monteith equation using Katerji and Perrier approach for modelling the variable canopy resistance value (rc). In fact rc is a primary factor in the evapotranspiration process and needs to be accurately estimated. Furthermore, ET also has an aerodynamic component, hence it depends on multiple factors such as meteorological variables and crop water condition. The proposed approach appears through a linear model in which rc depends on climate variables and aerodynamic resistance [rc/ra = f(r*/ra)] where ra is the aerodynamic resistance, function of wind speed and crop height, and r* is called "critical" or "climatic" resistance. Here, under humid climate, the model has been applied with good results at both hourly and daily scales. In this study, the reached good accuracy shows that the model worked well and are clearly more accurate than those obtained by using the more diffuse and known standard FAO 56 method for well watered and stressed crops.

Dynamic light scattering measurements of mutual diffusion coefficients of water-rich 2-butoxyethanol/water systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bender, T.M.; Pecora, R.

1988-03-24

The mutual diffusion coefficients of the water-rich region of the 2-butoxyethanol (BE)water system were measured by dynamic light scattering at 10, 25, and 40/sup 0/C. At mole fraction of BE greater than 0.02 (X/sub BE/ greater than or equal to 0.02), the results were in good agreement with the work of T. Kato. Below X/sub BE/ = 0.02 an anomalous diffusion region appeared with particles of apparent hydrodynamic radius of up to 1000 A being observed in agreement with the work of S. Kato et al. Further investigations using BE from different sources did not show the anomalous diffusion regionmore » and indicate that the possible presence of small amounts of contaminants in the BE is the source of this anomalous diffusion data« less

Estimation of Leaf Area Index and Plant Area Index of a Submerged Macrophyte Canopy Using Digital Photography

PubMed Central

Zhao, Dehua; Xie, Dong; Zhou, Hengjie; Jiang, Hao; An, Shuqing

2012-01-01

Non-destructive estimation using digital cameras is a common approach for estimating leaf area index (LAI) of terrestrial vegetation. However, no attempt has been made so far to develop non-destructive approaches to LAI estimation for aquatic vegetation. Using the submerged plant species Potamogeton malainus, the objective of this study was to determine whether the gap fraction derived from vertical photographs could be used to estimate LAI of aquatic vegetation. Our results suggested that upward-oriented photographs taken from beneath the water surface were more suitable for distinguishing vegetation from other objects than were downward-oriented photographs taken from above the water surface. Exposure settings had a substantial influence on the identification of vegetation in upward-oriented photographs. Automatic exposure performed nearly as well as the optimal trial exposure, making it a good choice for operational convenience. Similar to terrestrial vegetation, our results suggested that photographs taken for the purpose of distinguishing gap fraction in aquatic vegetation should be taken under diffuse light conditions. Significant logarithmic relationships were observed between the vertical gap fraction derived from upward-oriented photographs and plant area index (PAI) and LAI derived from destructive harvesting. The model we developed to depict the relationship between PAI and gap fraction was similar to the modified theoretical Poisson model, with coefficients of 1.82 and 1.90 for our model and the theoretical model, respectively. This suggests that vertical upward-oriented photographs taken from below the water surface are a feasible alternative to destructive harvesting for estimating PAI and LAI for the submerged aquatic plant Potamogeton malainus. PMID:23226557

Reduction of Altitude Diffuser Jet Noise Using Water Injection

NASA Technical Reports Server (NTRS)

Allgood, Daniel C.; Saunders, Grady P.; Langford, Lester A.

2014-01-01

A feasibility study on the effects of injecting water into the exhaust plume of an altitude rocket diffuser for the purpose of reducing the far-field acoustic noise has been performed. Water injection design parameters such as axial placement, angle of injection, diameter of injectors, and mass flow rate of water have been systematically varied during the operation of a subscale altitude test facility. The changes in acoustic far-field noise were measured with an array of free-field microphones in order to quantify the effects of the water injection on overall sound pressure level spectra and directivity. The results showed significant reductions in noise levels were possible with optimum conditions corresponding to water injection at or just upstream of the exit plane of the diffuser. Increasing the angle and mass flow rate of water injection also showed improvements in noise reduction. However, a limit on the maximum water flow rate existed as too large of flow rate could result in un-starting the supersonic diffuser.

Reduction of Altitude Diffuser Jet Noise Using Water Injection

NASA Technical Reports Server (NTRS)

Allgood, Daniel C.; Saunders, Grady P.; Langford, Lester A.

2011-01-01

A feasibility study on the effects of injecting water into the exhaust plume of an altitude rocket diffuser for the purpose of reducing the far-field acoustic noise has been performed. Water injection design parameters such as axial placement, angle of injection, diameter of injectors, and mass flow rate of water have been systematically varied during the operation of a subscale altitude test facility. The changes in acoustic far-field noise were measured with an array of free-field microphones in order to quantify the effects of the water injection on overall sound pressure level spectra and directivity. The results showed significant reductions in noise levels were possible with optimum conditions corresponding to water injection at or just upstream of the exit plane of the diffuser. Increasing the angle and mass flow rate of water injection also showed improvements in noise reduction. However, a limit on the maximum water flow rate existed as too large of flow rate could result in un-starting the supersonic diffuser.

Observation of exchange of micropore water in cement pastes by two-dimensional T(2)-T(2) nuclear magnetic resonance relaxometry.

PubMed

Monteilhet, L; Korb, J-P; Mitchell, J; McDonald, P J

2006-12-01

The first detailed analysis of the two-dimensional (2D) NMR T(2)-T(2) exchange experiment with a period of magnetization storage between the two T(2) relaxation encoding periods (T(2)-store-T(2)) is presented. It is shown that this experiment has certain advantages over the T(1)-T(2) variant for the quantization of chemical exchange. New T(2)-store-T(2) 2D 1H NMR spectra of the pore water within white cement paste are presented. Based on these spectra, the exchange rate of water between the two smallest porosity reservoirs is estimated for the first time. It is found to be of the order of 5 ms{-1}. Further, a careful estimate of the pore sizes of these reservoirs is made. They are found to be of the order of 1.4 nm and 10-30 nm , respectively. A discussion of the results is developed in terms of possible calcium silicate hydrate products. A water diffusion coefficient inferred from the exchange rate and the cement particle size is found to compare favorably with the results of molecular-dynamics simulations to be found in the literature.

Thermal characteristics of soil and water during summer at King Sejong Station, King George Island, Antarctica

NASA Astrophysics Data System (ADS)

Lim, H. S.; Lee, J. Y.; Yoon, H.

2016-12-01

Soil temperatures, water temperatures, and weather parameters were monitored at a variety of locations in the vicinity of King Sejong station, King George Island, Antarctica, during summer 2010-2011. Thermal characteristics of soil and water were analysed using time-series analyses, apparent thermal diffusivity (ATD), and active layer thickness. The temperatures of pond water and nearby seawater showed the distinctive diurnal variations and correlated strongly with solar radiation (r = 0.411-0.797). Soil temperature (0.1-0.3 m depth) also showed diurnal fluctuations that decreased with depth and were directly linked to air temperature (r = 0.513-0.783) rather than to solar radiation; correlation decreased with depth and the time lag in the response increased by 2-3 hours per 0.1 m of soil depth. Owing to the lack of snow cover, summertime soil temperature was not decoupled from air temperature. Estimated ATD was between 0.022 and 29.209 mm2/sec, showed temporal and spatial variations, and correlated strongly with soil moisture content. The maximum estimated active layer thickness in the study area was a 41-70 cm, which is consistent with values reported in the previous work.

Tritium Fluxes through the Shallow Unsaturated Zone adjacent to a Radioactive Waste Disposal Facility in an Arid Environment

NASA Astrophysics Data System (ADS)

Maples, S.; Andraski, B. J.; Stonestrom, D. A.; Cooper, C. A.; Pohll, G.

2011-12-01

Studies at the U.S. Geological Survey's Amargosa Desert Research Site (ADRS) in southern Nevada have documented long-distance (>400-m) tritium (3H) transport adjacent to a commercial, low-level radioactive waste disposal facility. Transport at this scale is orders of magnitude greater than anticipated; however, lateral 3H fluxes through the shallow unsaturated zone (UZ) have not been investigated in detail. The objective of this study is to estimate and compare lateral and vertical tritiated water-vapor (3HHOg) fluxes in the shallow UZ and their relation to the observed plume migration. Previous studies have recognized two distinct plumes of 3H emanating from the facility. Shallow (0.5 and 1.5-m depth) soil-water vapor samples were collected yearly along 400-m long transects through both plumes from 2003-09. Within the south plume, 3H concentrations at 1.5-m depth have decreased by 44 ± 0.3% during this period, and plume advancement there has effectively ceased (i.e., rate of advance equals rate of decay). During the same period, the west plume showed a net decrease in concentration of 34 ± 0.9% within 100-m of the facility; however, plume advancement is observed at the leading edge of the plume, and concentrations 200-300-m from the facility show an increase in 3H concentration of 64 ± 28.4%. Lateral and vertical diffusive fluxes within both plumes were calculated using 3HHOg concentrations from 2006. Lateral 3HHOg diffusive fluxes within both plumes have been estimated 25-300-m from the facility at 1.5-m depth. Mean lateral 3HHOg diffusive fluxes are 10-14 g m-2 yr-1 within the south plume, and 10-13 g m-2 yr-1 within the west plume. Mean lateral fluxes in the south plume are an order of magnitude lower than in the west plume. This behavior corresponds with the observed relative immobility of the south plume, while the elevated west plume fluxes agree with the plume advancement seen there. Shallow, upward directed, mean vertical 3HHOg fluxes 25-300-m from the facility are estimated to be 10-12 g m-2 yr-1 in the south plume and 10-11 g m-2 yr-1 in the west plume. Within both plumes, mean vertical diffusive fluxes are two orders of magnitude greater than mean lateral diffusive fluxes. Lateral diffusive 3HHOg fluxes have been calculated similarly using 2001 south plume data and were compared to 2001 south plume vertical diffusive 3HHOg fluxes published by Andraski et al. (2005). Here, too, mean vertical fluxes dwarf mean lateral fluxes (10-11 g m-2 yr-1 vs. 10-14 g m-2 yr-1). This behavior highlights the importance of upward movement and release of 3H to the atmosphere. The potential role of advective lateral transport and its contribution to observed plume migration is also under investigation.

Horizon Partitioning of Soil CO2 Sources and their Isotopic Composition (13C) in a Pinus Sylvestris Stand

NASA Astrophysics Data System (ADS)

Goffin, S.; Parent, F.; Plain, C.; Maier, M.; Schack-Kirchner, H.; Aubinet, M.; Longdoz, B.

2012-12-01

The overall aim of this study is to contribute to a better understanding of mechanisms behind soil CO2 efflux using carbon stable isotopes. The approach combines a soil multilayer analysis and the isotopic tool in an in situ study. The specific goal of this work is to quantify the origin and the determinism of 13CO2 and 12CO2 production processes in the different soil layers using the gradient-efflux approach. To meet this, the work includes an experimental setup and a modeling approach. The experimental set up (see also communication of Parent et al., session B008) comprised a combination of different systems, which were installed in a Scot Pine temperate forest at the Hartheim site (Southwestern Germany). Measurements include (i) half hourly vertical profiles of soil CO2 concentration (using soil CO2 probes), soil water content and temperature; (ii) half hourly soil surface CO2 effluxes (automatic chambers); (iii) half hourly isotopic composition of surface CO2 efflux and soil CO2 concentration profile and (iv) estimation of soil diffusivity through laboratory measurements conducted on soil samples taken at several depths. Using the data collected in the experimental part, we developed and used a diffusive transport model to simulate CO2 (13CO2 and 12CO2) flows inside and out of the soil based on Fick's first law. Given the horizontal homogeneity of soil physical parameters in Hartheim, we treated the soil as a structure consisting of distinctive layers of 5 cm thick and expressed the Fick's first law in a discrete formalism. The diffusion coefficient used in each layer was derived from (i) horizon specific relationships, obtained from laboratory measurements, between soil relative diffusivity and its water content and (ii) the soil water content values measured in situ. The concentration profile was obtained from in situ measurements. So, the main model inputs are the profiles of (i) CO2 (13CO2 and 12CO2) concentration, (ii) soil diffusion coefficient and (iii) soil water content. Once the diffusive fluxes deduced at each layer interface, the CO2 (13CO2 and 12CO2) production profile was calculated using the (discretized) mass balance equation in each layer. The results of the Hartheim measurement campaign will be presented. The CO2 source vertical profile and its link with the root and the Carbon organic content distribution will be showed. The dynamic of CO2 sources and their isotopic signature will be linked to climatic variables such soil temperature and soil water content. For example, we will show that the dynamics of CO2 sources was mainly related to temperature while changing of isotopic signature was more correlated to soil moisture.

Investigating the sources and sinks of water of Congo's wetlands

NASA Astrophysics Data System (ADS)

Paiva, R. C. D.; O'Loughlin, F.; Alsdorf, D. E.; Durand, M. T.; Beighley, E., II; Calmant, S.; Lee, H.; Santos Da Silva, J.

2014-12-01

The Congo is the second largest river basin in the world and indeed there is still a lot to be investigated about the hydrology of this system. This region presents extensive wetlands that may play an important role on the hydrology, carbon and ecological dynamics of the Congo. However, previous studies indicate that these wetlands behave differently from the Amazon, other major rainforest basin, and how water enters and leaves the Cuvette Centrale wetland is still to be quantified. We investigate the sources and sinks of water to the Congo's wetlands. Our analyses range from simple examinations of precipitation and evaporation historical data to remote sensing datasets and 2 D hydrodynamic modelling of Congo wetlands. Early results show that water levels at wetlands are usually higher than adjacent Congo River water levels and amplitude of variation is considerably smaller. Also, floodplain channels are not observed in this region indicating that surface flows are diffusive. Mean annual precipitation range from 1600 to 2000 mm/year, evapotranspiration estimates are approximately 1100 mm/year while some estimates of groundwater recharge indicate values larger than 300 mm/year. These assessments suggest that volumes coming from local water balance could flood the wetlands to depths of only a few centimeters. Preliminary 2D hydrodynamic simulations show that water coming from main rivers produces at upstream areas can flood only a small part of wetland, mainly alongside these rivers.

Porous Flow and Diffusion of Water in the Mantle Wedge: Melting and Hydration Patterns

NASA Astrophysics Data System (ADS)

Conder, J. A.

2005-12-01

It is widely accepted that melting at volcanic arcs is primarily triggered by fluxing the mantle wedge from the dehydrating subducting slab. However, there is less concensus regarding how water moves into and within the mantle wedge. There are at least four possible mechanisms for water migration in the wedge: buoyant porous flow, diffusion through mineral crystals, advection of hydrated minerals, and compositionally buoyant diapers. The latter two mechanisms require at least one of the first two to occur to get water from the slab into the wedge before they can function. Using geodynamic models of mantle flow in a simplified subduction setting, we explore the implications of diffusion and porous flow of water in the wedge, particularly as they would affect the time for recycling water through the subduction factory and the predicted pattern of basalt hydration across the arc. The slab is assumed to dehydrate in a continuous fashion as the solubility of water in subducted oceanic crust decreases with temperature and pressure and the water then enters the wedge via one of the two transport mechanisms. Diffusion is controlled by temperature and by which minerals are present. Although olivine dominates the mantle mineral fraction, pyroxenes may control the diffusion of water in the wedge as the diffusivity of pyroxene is one or more orders of magnitude greater than olivine. Even assuming the faster diffusion rate of orthopyroxene in the models, diffusion can only be an important transport mechanism when subduction rates are slower than ~3 cm/yr. Flux melting occurs in the wedge above where the slab is ~100-160 km deep with the maximum above where the slab is ~120 km deep. Models including porous flow can result in melting at higher subduction rates provided the permeability of the mantle is greater than 10-17 m2. The true magnitude of the permeability likely varies with the corresponding porosity created by the free phase. With porous flow, melting occurs 20-30 km closer to the trench and the degree of melting is larger than when only diffusion is allowed. The rate of dehydration depends on the thermal structure which can affect the permeability. The dependence of permeability and diffusion with temperature may explain the variations in volcanic front location as observed at different arcs.

Development and application of an exchange model for anisotropic water diffusion in the microporous MOF aluminum fumarate

NASA Astrophysics Data System (ADS)

Splith, Tobias; Fröhlich, Dominik; Henninger, Stefan K.; Stallmach, Frank

2018-06-01

Diffusion of water in aluminum fumarate was studied by means of pulsed field gradient (PFG) nuclear magnetic resonance (NMR). Due to water molecules exchanging between the intracrystalline anisotropic pore space and the isotropic intercrystalline void space the model of intracrystalline anisotropic diffusion fails to describe the experimental PFG NMR data at high observation times. Therefore, the two-site exchange model developed by Kärger is extended to the case of exchange between an anisotropic and an isotropic site. This extended exchange model is solved by numerical integration. It describes the experimental data very well and yields values for the intracrystalline diffusion coefficient and the mean residence times of the respective sites. Further PFG NMR studies were performed with coatings consisting of small aluminum fumarate crystals, which are used in adsorptive heat transformation applications. The diffusion coefficients of water in the small crystal coating are compared to the values expected from the extended two-site exchange model and from the model of long-range diffusion.

Fuzzy rule based estimation of agricultural diffuse pollution concentration in streams.

PubMed

Singh, Raj Mohan

2008-04-01

Outflow from the agricultural fields carries diffuse pollutants like nutrients, pesticides, herbicides etc. and transports the pollutants into the nearby streams. It is a matter of serious concern for water managers and environmental researchers. The application of chemicals in the agricultural fields, and transport of these chemicals into streams are uncertain that cause complexity in reliable stream quality predictions. The chemical characteristics of applied chemical, percentage of area under the chemical application etc. are some of the main inputs that cause pollution concentration as output in streams. Each of these inputs and outputs may contain measurement errors. Fuzzy rule based model based on fuzzy sets suits to address uncertainties in inputs by incorporating overlapping membership functions for each of inputs even for limited data availability situations. In this study, the property of fuzzy sets to address the uncertainty in input-output relationship is utilized to obtain the estimate of concentrations of a herbicide, atrazine, in a stream. The data of White river basin, a part of the Mississippi river system, is used for developing the fuzzy rule based models. The performance of the developed methodology is found encouraging.

Diffusion sampler testing at Naval Air Station North Island, San Diego County, California, November 1999 to January 2000

USGS Publications Warehouse

Vroblesky, Don A.; Peters, Brian C.

2000-01-01

Volatile organic compound concentrations in water from diffusion samplers were compared to concentrations in water obtained by low-flow purging at 15 observation wells at the Naval Air Station North Island, San Diego, California. Multiple diffusion samplers were installed in the wells. In general, comparisons using bladder pumps and diffusion samplers showed similar volatile organic carbon concentrations. In some wells, sharp concentration gradients were observed, such as an increase in cis-1,2-dichloroethene concentration from 100 to 2,600 micrograms per liter over a vertical distance of only 3.4 feet. In areas where such sharp gradients were observed, concentrations in water obtained by low-flow sampling at times reflected an average concentration over the area of influence; however, concentrations obtained by using the diffusion sampler seemed to represent the immediate vicinity of the sampler. When peristaltic pumps were used to collect ground-water samples by low-flow purging, the volatile organic compound concentrations commonly were lower than concentrations obtained by using diffusion samplers. This difference may be due to loss of volatiles by degassing under negative pressures in the sampling lines induced while using the peristaltic pump, mixing in the well screen, or possible short-circuiting of water from an adjacent depth. Diffusion samplers placed in buckets of freephase jet fuel (JP-5) and Stoddard solvent from observation wells did not show evidence of structural integrity loss during the 2 months of equilibration, and volatile organic compounds detected in the free-phase fuel also were detected in the water from the diffusion samplers.

[See the thinking brain: a story about water].

PubMed

Le Bihan, D

2008-01-01

Among the astonishing Einstein's papers from 1905, there is one which unexpectedly gave birth to a powerful method to explore the brain. Molecular diffusion was explained by Einstein on the basis of the random translational motion of molecules which results from their thermal energy. In the mid 1980s it was shown that water diffusion in the brain could be imaged using MRI. During their random displacements water molecules probe tissue structure at a microscopic scale, interacting with cell membranes and, thus, providing unique information on the functional architecture of tissues. A dramatic application of diffusion MRI has been brain ischemia, following the discovery that water diffusion drops immediately after the onset of an ischemic event, when brain cells undergo swelling through cytotoxic edema. On the other hand, water diffusion is anisotropic in white matter, because axon membranes limit molecular movement perpendicularly to the fibers. This feature can be exploited to map out the orientation in space of the white matter tracks and image brain connections. More recently, it has been shown that diffusion MRI could accurately detect cortical activation. As the diffusion response precedes by several seconds the hemodynamic response captured by BOLD fMRI, it has been suggested that water diffusion could reflect early neuronal events, such as the transient swelling of activated cortical cells. If confirmed, this discovery will represent a significant breakthrough, allowing non invasive access to a direct physiological marker of brain activation. This approach will bridge the gap between invasive optical imaging techniques in neuronal cell cultures, and current functional neuroimaging approaches in humans, which are based on indirect and remote blood flow changes.

Grading of Gliomas by Using Monoexponential, Biexponential, and Stretched Exponential Diffusion-weighted MR Imaging and Diffusion Kurtosis MR Imaging

PubMed Central

Bai, Yan; Lin, Yusong; Tian, Jie; Shi, Dapeng; Cheng, Jingliang; Haacke, E. Mark; Hong, Xiaohua; Ma, Bo; Zhou, Jinyuan

2016-01-01

Purpose To quantitatively compare the potential of various diffusion parameters obtained from monoexponential, biexponential, and stretched exponential diffusion-weighted imaging models and diffusion kurtosis imaging in the grading of gliomas. Materials and Methods This study was approved by the local ethics committee, and written informed consent was obtained from all subjects. Both diffusion-weighted imaging and diffusion kurtosis imaging were performed in 69 patients with pathologically proven gliomas by using a 3-T magnetic resonance (MR) imaging unit. An isotropic apparent diffusion coefficient (ADC), true ADC, pseudo-ADC, and perfusion fraction were calculated from diffusion-weighted images by using a biexponential model. A water molecular diffusion heterogeneity index and distributed diffusion coefficient were calculated from diffusion-weighted images by using a stretched exponential model. Mean diffusivity, fractional anisotropy, and mean kurtosis were calculated from diffusion kurtosis images. All values were compared between high-grade and low-grade gliomas by using a Mann-Whitney U test. Receiver operating characteristic and Spearman rank correlation analysis were used for statistical evaluations. Results ADC, true ADC, perfusion fraction, water molecular diffusion heterogeneity index, distributed diffusion coefficient, and mean diffusivity values were significantly lower in high-grade gliomas than in low-grade gliomas (U = 109, 56, 129, 6, 206, and 229, respectively; P < .05). Pseudo-ADC and mean kurtosis values were significantly higher in high-grade gliomas than in low-grade gliomas (U = 98 and 8, respectively; P < .05). Both water molecular diffusion heterogeneity index (area under the receiver operating characteristic curve [AUC] = 0.993) and mean kurtosis (AUC = 0.991) had significantly greater AUC values than ADC (AUC = 0.866), mean diffusivity (AUC = 0.722), and fractional anisotropy (AUC = 0.500) in the differentiation of low-grade and high-grade gliomas (P < .05). Conclusion Water molecular diffusion heterogeneity index and mean kurtosis values may provide additional information and improve the grading of gliomas compared with conventional diffusion parameters. © RSNA, 2015 Online supplemental material is available for this article. PMID:26230975

EPA Office of Water (OW): 2002 SPARROW Total NP (Catchments)

EPA Pesticide Factsheets

SPARROW (SPAtially Referenced Regressions On Watershed attributes) is a watershed modeling tool with output that allows the user to interpret water quality monitoring data at the regional and sub-regional scale. The model relates in-stream water-quality measurements to spatially referenced characteristics of watersheds, including pollutant sources and environmental factors that affect rates of pollutant delivery to streams from the land and aquatic, in-stream processing . The core of the model consists of a nonlinear regression equation describing the non-conservative transport of contaminants from point and non-point (or ??diffuse??) sources on land to rivers and through the stream and river network. SPARROW estimates contaminant concentrations, loads (or ??mass,?? which is the product of concentration and streamflow), and yields in streams (mass of nitrogen and of phosphorus entering a stream per acre of land). It empirically estimates the origin and fate of contaminants in streams and receiving bodies, and quantifies uncertainties in model predictions. The model predictions are illustrated through detailed maps that provide information about contaminant loadings and source contributions at multiple scales for specific stream reaches, basins, or other geographic areas.

Stimulation-induced decreases in the diffusion of extra-vascular water in the human visual cortex: a window in time and space on mechanisms of brain water transport and economy.

PubMed

Baslow, Morris H; Hu, Caixia; Guilfoyle, David N

2012-07-01

In a human magnetic resonance diffusion-weighted imaging (DWI) investigation at 3 T and high diffusion sensitivity weighting (b = 1,800 s/mm(2)), which emphasizes the contribution of water in the extra-vascular compartment and minimizes that of the vascular compartment, we observed that visual stimulation with a flashing checkerboard at 8 Hz for a period of 600 s in eight subjects resulted in significant increases in DWI signals (mean +2.70%, range +0.51 to 8.54%). The increases in DWI signals in activated areas of the visual cortex indicated that during stimulation, the apparent diffusion coefficient (ADC) of extra-vascular compartment water decreased. In response to continuous stimulation, DWI signals gradually increased from pre-stimulation controls, leveling off after 400-500 s. During recovery from stimulation, DWI signals gradually decreased, approaching control levels in 300-400 s. In this study, we show for the first time that the effects of visual stimulation on DWI signals in the human visual cortex are cumulative over an extended period of time. We propose that these relatively slow stimulation-induced changes in the ADC of water in the extra-vascular compartment are due to transient changes in the ratio of faster diffusing free water to slower diffusing bound water and reflect brain water transport processes between the vascular and extra-vascular compartments at the cellular level. The nature of these processes including possible roles of the putative glucose water import and N-acetylaspartate water export molecular water pumps in brain function are discussed.

Microscopic diffusion processes measured in living planarians

DOE PAGES

Mamontov, Eugene

2018-03-08

Living planarian flatworms were probed using quasielastic neutron scattering to measure, on the pico-to-nanosecond time scale and nanometer length scale, microscopic diffusion of water and cell constituents in the planarians. Measurable microscopic diffusivities were surprisingly well defined in such a complex system as living animals. The overall variation in the microscopic diffusivity of cell constituents was found to be far lower than the variation in the microscopic diffusivity of water in planarians in a temperature range of 284.5 to 304.1K.

Microscopic diffusion processes measured in living planarians

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mamontov, Eugene

Living planarian flatworms were probed using quasielastic neutron scattering to measure, on the pico-to-nanosecond time scale and nanometer length scale, microscopic diffusion of water and cell constituents in the planarians. Measurable microscopic diffusivities were surprisingly well defined in such a complex system as living animals. The overall variation in the microscopic diffusivity of cell constituents was found to be far lower than the variation in the microscopic diffusivity of water in planarians in a temperature range of 284.5 to 304.1K.

Water diffusion to assess meat microstructure.

PubMed

Laghi, Luca; Venturi, Luca; Dellarosa, Nicolò; Petracci, Massimiliano

2017-12-01

In the quest for setting up rapid methods to evaluate water retention ability of meat microstructures, time domain nuclear magnetic resonance (TD-NMR) has gained a prominent role, due to the possibility to observe water located outside the myofibrils, easily lost upon storage or cooking. Diffusion weighted signals could be used to monitor the shape and dimension of the pores in which water is confined, thus boosting the information offered by TD-NMR. The work outlines a parsimonious model to describe relative abundance and diffusion coefficient of intra and extra myofibrillar water populations, exchange rate between them, diameter of the myofibrillar cells. To test our model, we registered diffusion and T 2 weighted NMR signals at 20MHz on fresh meat from pectoralis major muscle of 100days old female turkey. We then purposely altered water distribution and myofibrils shape by means of freezing. The model predicted nicely the consequences of the imposed modifications. Copyright © 2016. Published by Elsevier Ltd.

Diffusion of water in the endosperm tissue of wheat grains as studied by pulsed field gradient nuclear magnetic resonance.

PubMed

Callaghan, P T; Jolley, K W; Lelievre, J

1979-10-01

Pulsed field gradient nuclear magnetic resonance has been used to measure water self-diffusion coefficients in the endosperm tissue of wheat grains as a function of the tissue water content. A model that confines the water molecules to a randomly oriented array of capillaries with both transverse dimension less than 100 nm has been used to fit the data and give a unique diffusion coefficient at each water content. The diffusion rates vary from 1.8 x 10(-10) m2s-1 at the lowest to 1.2 x 10(-9) m2s-1 at the highest moisture content. This variation can be explained in terms of an increase in water film thickness from approximately 0.5 to approximately 2.5 nm over the moisture range investigated (200-360 mg g-1).

Experimental and theoretical study on chemical reactions and species diffusion by a nano-pulse discharged bubble for water treatment

NASA Astrophysics Data System (ADS)

He, Yuchen; Uehara, Satoshi; Takana, Hidemasa; Nishiyama, Hideya

2018-01-01

Advanced oxidation processes using hydroxyl radicals (ṡOH) generated inside bubbles in water has drawn widely interest for the high oxidation potential of OH radical to decompose persistent organic pollutants such as dioxins and humic acid for water purification. In this study, a two-dimensional diffusion model for a nano-pulse discharged bubble in water is established. Based on the experimental results of streamer propagation inside a bubble, the diffusion processes around the bubble interface and reactions of chemical species in liquids are simulated. The simulation results show that OH radicals can diffuse only several micrometers away from the bubble interface in water. Furthermore, the optimal operating voltage and frequency conditions for OH generation is obtained by comparing the OH concentration in water obtained from numerical simulation with that measured by spectroscopy in experiment.

The effects of gas diffusion layers structure on water transportation using X-ray computed tomography based Lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Jinuntuya, Fontip; Whiteley, Michael; Chen, Rui; Fly, Ashley

2018-02-01

The Gas Diffusion Layer (GDL) of a Polymer Electrolyte Membrane Fuel Cell (PEMFC) plays a crucial role in overall cell performance. It is responsible for the dissemination of reactant gasses from the gas supply channels to the reactant sites at the Catalyst Layer (CL), and the adequate removal of product water from reactant sites back to the gas channels. Existing research into water transport in GDLs has been simplified to 2D estimations of GDL structures or use virtual stochastic models. This work uses X-ray computed tomography (XCT) to reconstruct three types of GDL in a model. These models are then analysed via Lattice Boltzmann methods to understand the water transport behaviours under differing contact angles and pressure differences. In this study, the three GDL samples were tested over the contact angles of 60°, 80°, 90°, 100°, 120° and 140° under applied pressure differences of 5 kPa, 10 kPa and 15 kPa. By varying the contact angle and pressure difference, it was found that the transition between stable displacement and capillary fingering is not a gradual process. Hydrophilic contact angles in the region of 60°<θ < 90° showed stable displacement properties, whereas contact angles in the region of 100°<θ < 140° displayed capillary fingering characteristics.

Modeling benzene permeation through drinking water high density polyethylene (HDPE) pipes.

PubMed

Mao, Feng; Ong, Say Kee; Gaunt, James A

2015-09-01

Organic compounds such as benzene, toluene, ethyl benzene and o-, m-, and p-xylene from contaminated soil and groundwater may permeate through thermoplastic pipes which are used for the conveyance of drinking water in water distribution systems. In this study, permeation parameters of benzene in 25 mm (1 inch) standard inside dimension ratio (SIDR) 9 high density polyethylene (HDPE) pipes were estimated by fitting the measured data to a permeation model based on a combination of equilibrium partitioning and Fick's diffusion. For bulk concentrations between 6.0 and 67.5 mg/L in soil pore water, the concentration-dependent diffusion coefficients of benzene were found to range from 2.0×10(-9) to 2.8×10(-9) cm2/s while the solubility coefficient was determined to be 23.7. The simulated permeation curves of benzene for SIDR 9 and SIDR 7 series of HDPE pipes indicated that small diameter pipes were more vulnerable to permeation of benzene than large diameter pipes, and the breakthrough of benzene into the HDPE pipe was retarded and the corresponding permeation flux decreased with an increase of the pipe thickness. HDPE pipes exposed to an instantaneous plume exhibited distinguishable permeation characteristics from those exposed to a continuous source with a constant input. The properties of aquifer such as dispersion coefficients (DL) also influenced the permeation behavior of benzene through HDPE pipes.

Modeling diffuse sources of surface water contamination with plant protection products

NASA Astrophysics Data System (ADS)

Wendland, Sandra; Bock, Michael; Böhner, Jürgen; Lembrich, David

2015-04-01

Entries of chemical pollutants in surface waters are a serious environmental problem. Among water pollutants plant protection products (ppp) from farming practice are of major concern not only for water suppliers and environmental agencies, but also for farmers and industrial manufacturers. Lost chemicals no longer fulfill their original purpose on the field, but lead to severe damage of the environment and surface waters. Besides point-source inputs of chemical pollutants, the diffuse-source inputs from agricultural procedures play an important and not yet sufficiently studied role concerning water quality. The two most important factors for diffuse inputs are erosion and runoff. The latter usually occurs before erosion begins, and is thus often not visible in hindsight. Only if it has come to erosion, it is obvious to expect runoff in foresight at this area, too. In addition to numerous erosion models, there are also few applications to model runoff processes available. However, these conventional models utilize approximations of catchment parameters based on long-term average values or theoretically calculated concentration peaks which can only provide indications to relative amounts. Our study aims to develop and validate a simplified spatially-explicit dynamic model with high spatiotemporal resolution that enables to measure current and forecast runoff potential not only at catchment scale but field-differentiated. This method allows very precise estimations of runoff risks and supports risk reduction measures to be targeted before fields are treated. By focusing on water pathways occurring on arable land, targeted risk reduction measures like buffer strips at certain points and adapted ppp use can be taken early and pollution of rivers and other surface waters through transported pesticides, fertilizers and their products could be nearly avoided or largely minimized. Using a SAGA-based physical-parametric modeling approach, major factors influencing runoff (relief, soil properties, weather conditions and crop coverage) are represented. Water balance parameters are modeled in daily steps, taking into account relief determined discharge pathways, runoff velocity and number of field boundaries passed until receiving streams are reached. Model development is based on a comprehensive monitoring campaign at 3 smaller catchments in North Rhine-Westphalia (Germany), equipped with two gauges each, upstream and downstream, an optical Trios probe and four Isco-Samplers. The temporal high resolution monitoring of discharge, ppp, orthophosphate and nitrate-nitrogen enables an evaluation of runoff simulations in relation with rain events. First model results suggest that the simulation of surface runoff pathways enables a spatial-explicit identification of fields contributing to pollutant inputs. We assume that targeted actions on few fields will help solving the problem of diffuse inputs of ppp in our surface water to a considerable extent.

Environmental DNA as a ‘Snapshot’ of Fish Distribution: A Case Study of Japanese Jack Mackerel in Maizuru Bay, Sea of Japan

PubMed Central

Takahashi, Kohji; Sawada, Hideki; Murakami, Hiroaki; Tsuji, Satsuki; Hashizume, Hiroki; Kubonaga, Shou; Horiuchi, Tomoya; Hongo, Masamichi; Nishida, Jo; Okugawa, Yuta; Fujiwara, Ayaka; Fukuda, Miho; Hidaka, Shunsuke; Suzuki, Keita W.; Miya, Masaki; Araki, Hitoshi; Yamanaka, Hiroki; Maruyama, Atsushi; Miyashita, Kazushi; Masuda, Reiji; Minamoto, Toshifumi; Kondoh, Michio

2016-01-01

Recent studies in streams and ponds have demonstrated that the distribution and biomass of aquatic organisms can be estimated by detection and quantification of environmental DNA (eDNA). In more open systems such as seas, it is not evident whether eDNA can represent the distribution and biomass of aquatic organisms because various environmental factors (e.g., water flow) are expected to affect eDNA distribution and concentration. To test the relationships between the distribution of fish and eDNA, we conducted a grid survey in Maizuru Bay, Sea of Japan, and sampled surface and bottom waters while monitoring biomass of the Japanese jack mackerel (Trachurus japonicus) using echo sounder technology. A linear model showed a high R2 value (0.665) without outlier data points, and the association between estimated eDNA concentrations from the surface water samples and echo intensity was significantly positive, suggesting that the estimated spatial variation in eDNA concentration can reflect the local biomass of the jack mackerel. We also found that a best-fit model included echo intensity obtained within 10–150 m from water sampling sites, indicating that the estimated eDNA concentration most likely reflects fish biomass within 150 m in the bay. Although eDNA from a wholesale fish market partially affected eDNA concentration, we conclude that eDNA generally provides a ‘snapshot’ of fish distribution and biomass in a large area. Further studies in which dynamics of eDNA under field conditions (e.g., patterns of release, degradation, and diffusion of eDNA) are taken into account will provide a better estimate of fish distribution and biomass based on eDNA. PMID:26933889

Lipid diffusion in the distal and proximal leaflets of supported lipid bilayer membranes studied by single particle tracking

NASA Astrophysics Data System (ADS)

Schoch, Rafael L.; Barel, Itay; Brown, Frank L. H.; Haran, Gilad

2018-03-01

Supported lipid bilayers (SLBs) have been studied extensively as simple but powerful models for cellular membranes. Yet, potential differences in the dynamics of the two leaflets of a SLB remain poorly understood. Here, using single particle tracking, we obtain a detailed picture of bilayer dynamics. We observe two clearly separate diffusing populations, fast and slow, that we associate with motion in the distal and proximal leaflets of the SLB, respectively, based on fluorescence quenching experiments. We estimate diffusion coefficients using standard techniques as well as a new method based on the blur of images due to motion. Fitting the observed diffusion coefficients to a two-leaflet membrane hydrodynamic model allows for the simultaneous determination of the intermonolayer friction coefficient and the substrate-membrane friction coefficient, without any prior assumptions on the strengths of the relevant interactions. Remarkably, our calculations suggest that the viscosity of the interfacial water confined between the membrane and the substrate is elevated by ˜104 as compared to bulk water. Using hidden Markov model analysis, we then obtain insight into the transbilayer movement of lipids. We find that lipid flip-flop dynamics are very fast, with half times in the range of seconds. Importantly, we find little evidence for membrane defect mediated lipid flip-flop for SLBs at temperatures well above the solid-to-liquid transition, though defects seem to be involved when the SLBs are cooled down. Our work thus shows that the combination of single particle tracking and advanced hydrodynamic modeling provides a powerful means to obtain insight into membrane dynamics.

Evaluating the multimedia fate of organic chemicals: A level III fugacity model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mackay, D.; Paterson, S.

A multimedia model is developed and applied to selected organic chemicals in evaluative and real regional environments. The model employs the fugacity concept and treats four bulk compartments: air, water, soil, and bottom sediment, which consist of subcompartments of varying proportions of air, water, and mineral and organic matter. Chemical equilibrium is assumed to apply within (but not between) each bulk compartment. Expressions are included for emissions, advective flows, degrading reactions, and interphase transport by diffusive and non-diffusive processes. Input to the model consists of a description of the environment, the physical-chemical and reaction properties of the chemical, and emissionmore » rates. For steady-state conditions the solution is a simple algebraic expression. The model is applied to six chemicals in the region of southern Ontario and the calculated fate and concentrations are compared with observations. The results suggest that the model may be used to determine the processes that control the environmental fate of chemicals in a region and provide approximate estimates of relative media concentrations.« less

New insights in dehydration stress behavior of two maize hybrids using advanced distributed reactivity model (DRM). Responses to the impact of 24-epibrassinolide

PubMed Central

Janković, Bojan; Janković, Marija; Nikolić, Bogdan; Dimkić, Ivica; Lalević, Blažo; Raičević, Vera

2017-01-01

Proposed distributed reactivity model of dehydration for seedling parts of two various maize hybrids (ZP434, ZP704) was established. Dehydration stresses were induced thermally, which is also accompanied by response of hybrids to heat stress. It was found that an increased value of activation energy counterparts within radicle dehydration of ZP434, with a high concentration of 24-epibrassinolide (24-EBL) at elevated operating temperatures, probably causes activation of diffusion mechanisms in cutin network and may increases likelihood of formation of free volumes, large enough to accommodate diffusing molecule. Many small random effects were detected and can be correlated with micro-disturbing in a space filled with water caused by thermal gradients, increasing capillary phenomena, and which can induce thermo-capillary migration. The influence of seedling content of various sugars and minerals on dehydration was also examined. Estimated distributed reactivity models indicate a dependence of reactivity on structural arrangements, due to present interactions between water molecules and chemical species within the plant. PMID:28644899

New insights in dehydration stress behavior of two maize hybrids using advanced distributed reactivity model (DRM). Responses to the impact of 24-epibrassinolide.

PubMed

Waisi, Hadi; Janković, Bojan; Janković, Marija; Nikolić, Bogdan; Dimkić, Ivica; Lalević, Blažo; Raičević, Vera

2017-01-01

Proposed distributed reactivity model of dehydration for seedling parts of two various maize hybrids (ZP434, ZP704) was established. Dehydration stresses were induced thermally, which is also accompanied by response of hybrids to heat stress. It was found that an increased value of activation energy counterparts within radicle dehydration of ZP434, with a high concentration of 24-epibrassinolide (24-EBL) at elevated operating temperatures, probably causes activation of diffusion mechanisms in cutin network and may increases likelihood of formation of free volumes, large enough to accommodate diffusing molecule. Many small random effects were detected and can be correlated with micro-disturbing in a space filled with water caused by thermal gradients, increasing capillary phenomena, and which can induce thermo-capillary migration. The influence of seedling content of various sugars and minerals on dehydration was also examined. Estimated distributed reactivity models indicate a dependence of reactivity on structural arrangements, due to present interactions between water molecules and chemical species within the plant.

The tensor distribution function.

PubMed

Leow, A D; Zhu, S; Zhan, L; McMahon, K; de Zubicaray, G I; Meredith, M; Wright, M J; Toga, A W; Thompson, P M

2009-01-01

Diffusion weighted magnetic resonance imaging is a powerful tool that can be employed to study white matter microstructure by examining the 3D displacement profile of water molecules in brain tissue. By applying diffusion-sensitized gradients along a minimum of six directions, second-order tensors (represented by three-by-three positive definite matrices) can be computed to model dominant diffusion processes. However, conventional DTI is not sufficient to resolve more complicated white matter configurations, e.g., crossing fiber tracts. Recently, a number of high-angular resolution schemes with more than six gradient directions have been employed to address this issue. In this article, we introduce the tensor distribution function (TDF), a probability function defined on the space of symmetric positive definite matrices. Using the calculus of variations, we solve the TDF that optimally describes the observed data. Here, fiber crossing is modeled as an ensemble of Gaussian diffusion processes with weights specified by the TDF. Once this optimal TDF is determined, the orientation distribution function (ODF) can easily be computed by analytic integration of the resulting displacement probability function. Moreover, a tensor orientation distribution function (TOD) may also be derived from the TDF, allowing for the estimation of principal fiber directions and their corresponding eigenvalues.

Peak flow estimation in ungauged basins by means of water level data analysis

NASA Astrophysics Data System (ADS)

Corato, G.; Moramarco, T.; Tucciarelli, T.

2009-04-01

Discharge hydrograph estimation in rivers is usually carried out by means of water level measurements and the use of a water depth - discharge relationship. The water depth - discharge curve is obtained by integrating local velocities measured in a given section at specified water depth values. To build up such curve is very expensive and very often the highest points, used for the peak flow estimation, are the result of rough extrapolation of points corresponding to much lower water depths. Recently, discharge estimation methodologies based only on the analysis of synchronous water level data recorded in two different river sections far some kilometers from each other have been developed. These methodologies are based only on the analysis of the water levels, the knowledge of the river bed elevations within the two sections, and the use of a diffusive flow routing numerical model. The bed roughness estimation, in terms of average Manning coefficient, is carried out along with the discharge hydrograph estimation. The 1D flow routing model is given by the following Saint Venant equations, simplified according to the diffusive hypothesis: ‚-+ ‚q-= 0 ‚t ‚x (1) ‚h+ (Sf - S0) = 0 ‚x (2) where q(x,t) is the discharge, h(x,t) is the water depth, Sf is the energy slope and S0 is the bed slope. The energy slope is related to the average n Manning coefficient by the Chezy relationship: -q2n2- Sf = 2ℜ4•3 (3) whereℜ is the hydraulic radius and gs the river section. The upstream boundary condition of the flow routing model is given by the measured upstream water level hydrograph. The computational domain is extended some kilometers downstream the second measurement section and the downstream boundary condition is properly approximated. This avoids the use of the downstream measured data for the solution of the system (1)-(3) and limits the model error even in the case of subcritical flow. The optimal average Manning coefficient is obtained by fitting the water level data available in the downstream measurement section with the computed ones. The optimal discharge hydrograph estimated in the upstream measurement section is given by the function q(0,t) computed in the first section (where x = 0) using the optimal Manning coefficient. Two different fitting quality criteria are compared and their practical implications are discussed; the first one is the equality of the computed and the measured time peak lag between the first and the second measurement section; the second one is the minimization of the total square error between the measured and the computed downstream water level hydrographs. The uniqueness and identifiability properties of the associated inverse problem are analyzed, and a model error analysis is carried out addressing the most relevant sources of error arising from the adopted approximations. Three case studies previously used for the validation of the proposed methodology are reviewed. The first two are water level hydrographs collected in two sections of the Arno river (Tuscany, Italy) and the Tiber river (Umbria, Italy). Water level and discharge hydrographs recorded during many storm events were available in both cases. The optimal average Manning coefficient has been estimated in both cases using the data of a single event, properly selected among all the available ones. In the third case, concerning hystorical data collected in a small tributary of the Tanagro river (Campania, Italy), three water level hydrographs were measured in three different sections of the channel. This allowed to carry on the discharge estimation using the data collected in only two of the three sections, using the data of the third one for validation. The results obtained in the three test cases highlight the advantages and the limits of the adopted analysis. The advantage is the simplicity of the hardware required for the data acquisition, that can be easily performed continuously in time, also during very bad weather conditions and using a long distance control. A first limit is the assumption of negligible inflow between the two measurement sections. Because the distance between the two sections must be large enough to measure the time lag between the two hydrographs, this limit can result in a difficult selection of the measurement sections. A second limit is the real heterogeneity of the bed roughness, that provides a shape of the water level hydrograph different from the computed one. Preliminary results of a new, multiparametric data analysis, are finally presented.

A Sparse Bayesian Learning Algorithm for White Matter Parameter Estimation from Compressed Multi-shell Diffusion MRI.

PubMed

Pisharady, Pramod Kumar; Sotiropoulos, Stamatios N; Sapiro, Guillermo; Lenglet, Christophe

2017-09-01

We propose a sparse Bayesian learning algorithm for improved estimation of white matter fiber parameters from compressed (under-sampled q-space) multi-shell diffusion MRI data. The multi-shell data is represented in a dictionary form using a non-monoexponential decay model of diffusion, based on continuous gamma distribution of diffusivities. The fiber volume fractions with predefined orientations, which are the unknown parameters, form the dictionary weights. These unknown parameters are estimated with a linear un-mixing framework, using a sparse Bayesian learning algorithm. A localized learning of hyperparameters at each voxel and for each possible fiber orientations improves the parameter estimation. Our experiments using synthetic data from the ISBI 2012 HARDI reconstruction challenge and in-vivo data from the Human Connectome Project demonstrate the improvements.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Joseph, Claudia; Mibus, Jens; Trepte, Paul

As a contribution to the safety assessment of nuclear waste repositories, U(VI) diffusion through the potential buffer material MX-80 bentonite was investigated at three clay dry densities over six years. Synthetic MX-80 model pore water was used as background electrolyte. Speciation calculations showed that Ca 2UO 2(CO 3) 3(aq) was the main U(VI) species. The in- and out-diffusion of U(VI) was investigated separately. U(VI) diffused about 3 mm, 1.5 mm, and 1 mm into the clay plug at ρ = 1.3, 1.6, and 1.9 g/cm 3, respectively. No through-diffusion of the U(VI) tracer was observed. However, leaching of natural uraniummore » contained in the clay occurred and uranium was detected in all receiving reservoirs. As expected, the effective and apparent diffusion coefficients, D e and D a, decreased with increasing dry density. The D a values for the out-diffusion of natural U(VI) were in good agreement with previously determined values. Surprisingly, D a values for the in-diffusion of U(VI) were about two orders of magnitude lower than values obtained in short-term in-diffusion experiments reported in the literature. Some potential reasons for this behavior that were evaluated are changes of the U(VI) speciation within the clay (precipitation, reduction) or changes of the clay porosity and pore connectivity with time. By applying Archie's law and the extended Archie's law, it was estimated that a significantly smaller effective porosity must be present for the long-term in-diffusion of U(VI). Finally, the results suggest that long-term studies of key transport phenomena may reveal additional processes that can directly impact long-term repository safety assessments.« less

Modeling diffusion and reaction in soils: 9. The Buckingham-Burdine-Campbell equation for gas diffusivity in undisturbed soil

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moldrup, P.; Olesen, T.; Yamaguchi, T.

1999-08-01

Accurate description of gas diffusivity (ratio of gas diffusion coefficients in soil and free air, D{sub s}/D{sub 0}) in undisturbed soils is a prerequisite for predicting in situ transport and fate of volatile organic chemicals and greenhouse gases. Reference point gas diffusivities (R{sub p}) in completely dry soil were estimated for 20 undisturbed soils by assuming a power function relation between gas diffusivity and air-filled porosity ({epsilon}). Among the classical gas diffusivity models, the Buckingham (1904) expression, equal to the soil total porosity squared, best described R{sub p}. Inasmuch, as their previous works implied a soil-type dependency of D{sub s}/D{submore » 0}({epsilon}) in undisturbed soils, the Buckingham R{sub p} expression was inserted in two soil-type-dependent D{sub s}/D{sub 0}({epsilon}) models. One D{sub s}/D{sub 0}({epsilon}) model is a function of pore-size distribution (the Campbell water retention parameter used in a modified Burdine capillary tube model), and the other is a calibrated, empirical function of soil texture (silt + sand fraction). Both the Buckingham-Burdine-Campbell (BBC) and the Buckingham/soil texture-based D{sub s}/D{sub 0}({epsilon}) models described well the observed soil type effects on gas diffusivity and gave improved predictions compared with soil type independent models when tested against an independent data set for six undisturbed surface soils. This study emphasizes that simple but soil-type-dependent power function D{sub s}/D{sub 0}({epsilon}) models can adequately describe and predict gas diffusivity in undisturbed soil. The authors recommend the new BBC model as basis for modeling gas transport and reactions in undisturbed soil systems.« less

Collection and corrections of oblique multiangle hyperspectral bidirectional reflectance imagery of the water surface

NASA Astrophysics Data System (ADS)

Bostater, Charles R.; Oney, Taylor S.

2017-10-01

Hyperspectral images of coastal waters in urbanized regions were collected from fixed platform locations. Surf zone imagery, images of shallow bays, lagoons and coastal waters are processed to produce bidirectional reflectance factor (BRF) signatures corrected for changing viewing angles. Angular changes as a function of pixel location within a scene are used to estimate changes in pixel size and ground sampling areas. Diffuse calibration targets collected simultaneously from within the image scene provides the necessary information for calculating BRF signatures of the water surface and shorelines. Automated scanning using a pushbroom hyperspectral sensor allows imagery to be collected on the order of one minute or less for different regions of interest. Imagery is then rectified and georeferenced using ground control points within nadir viewing multispectral imagery via image to image registration techniques. This paper demonstrates the above as well as presenting how spectra can be extracted along different directions in the imagery. The extraction of BRF spectra along track lines allows the application of derivative reflectance spectroscopy for estimating chlorophyll-a, dissolved organic matter and suspended matter concentrations at or near the water surface. Imagery is presented demonstrating the techniques to identify subsurface features and targets within the littoral and surf zones.

An integrated groundwater and surface water approach to quantifying the contribution of hydrological pathways to streamflow

NASA Astrophysics Data System (ADS)

O'Brien, R. J.; Deakin, J.; Misstear, B.; Gill, L.; Flynn, R. M.

2012-12-01

An appreciation of the quantity of streamflow derived from the main hydrological groundwater and surface water pathways transporting diffuse pollutants is critical when addressing a wide range of water resource management issues. The Pathways Project, funded by the Irish EPA, is developing a Catchment Management Tool (CMT) as an aid to water resource decision makers. The pollutants investigated by the CMT include phosphorus, nitrogen, sediments, pesticides and pathogens. An important first step in this process is to provide reliable estimates of the slower responding groundwater pathways in conjunction with the quicker overland and interflow pathways. Four watersheds are being investigated, with continuous rainfall, discharge, temperature and conductivity data being collected at gauging points within each of the watersheds. These datasets are being used to populate the semi-distributed, lumped flow model, NAM and also the distributed, finite difference model, MODFLOW. One of the main challenges is to achieve credible separations of the hydrograph into the main pathways in relatively small catchments (sometimes less than 5km2) with short response times. To assist the numerical modelling, physical separation techniques have been used to constrain the separations within probable limits. Physical techniques include: Master Recession Analysis; a modified Lyne and Hollick one-parameter digital separation; an approach developed in Ireland involving the application of recharge coefficients to hydrologically effective rainfall estimates; and finally using the NAM and MODFLOW models themselves as means of investigating separations. The contribution from each of the pathways, combined with an understanding of the attenuation of the contaminants along those pathways, will inform the CMT. This understanding will lay the foundation for linking the parameters of the NAM model to watershed descriptors such as slope, drainage density, watershed area, soil type, etc., in order to predict the response of a watershed to rainfall. This is an important deliverable of this research and will be fundamental for initial investigations in ungauged watersheds. This approach to quantifying hydrological pathways will therefore have wider applicability across Ireland and in hydrological settings elsewhere internationally. The research is being carried out for the Environmental Protection Agency by a consortium involving Queen's University Belfast, University College Dublin and Trinity College Dublin. Pathway separations in a karst watershed. Observed discharge (Black) with separated pathways: quick diffuse flow (Blue); slow diffuse flow (Green); interflow (Light Blue) and overland flow (Red).

SToRM: A Model for Unsteady Surface Hydraulics Over Complex Terrain

USGS Publications Warehouse

Simoes, Francisco J.

2014-01-01

A two-dimensional (depth-averaged) finite volume Godunov-type shallow water model developed for flow over complex topography is presented. The model is based on an unstructured cellcentered finite volume formulation and a nonlinear strong stability preserving Runge-Kutta time stepping scheme. The numerical discretization is founded on the classical and well established shallow water equations in hyperbolic conservative form, but the convective fluxes are calculated using auto-switching Riemann and diffusive numerical fluxes. The model’s implementation within a graphical user interface is discussed. Field application of the model is illustrated by utilizing it to estimate peak flow discharges in a flooding event of historic significance in Colorado, U.S.A., in 2013.

The 4D-var Estimation of North Korean Rocket Exhaust Emissions Into the Ionosphere

NASA Astrophysics Data System (ADS)

Ssessanga, Nicholas; Kim, Yong Ha; Choi, Byungyu; Chung, Jong-Kyun

2018-03-01

We have developed a four-dimensional variation data assimilation technique (4D-var) and utilized it to reconstruct three-dimensional images of the ionospheric hole created during Kwangmyongsong-4 rocket launch. Kwangmyongsong-4 was launched southward from North Korea Sohae space center (124.7°E, 39.6°N) at 00:30 UT on 7 February 2016. The data assimilated were Global Positioning System total electron content from the South Korean Global Positioning System-receiver network. Due to lack of publicized information about Kwangmyongsong-4, the rocket was assumed to inherit its technology from previous launches (Taepodong-2). The created ionospheric hole was assumed to be made by neutral molecules, water (H2O) and hydrogen (H2), deposited in exhaust plumes. The dispersion model was developed based on advection and diffusion equation, and a simple asymmetric diffusion model assumed. From the analysis, using the adjoint technique, we estimated an ionospheric hole with the largest depletion existing around 6-7 min after launch and gradually recovering within 30 min. These results are in agreement with temporal total electron content analyses of the same event from previous studies. Furthermore, Kwangmyongsong-4 second stage exhaust emissions were estimated as 1.9 × 1026 s-1 of which 40% was H2 and the rest H2O.

Fluoride content of infant formulas prepared with deionized, bottled mineral and fluoridated drinking water.

PubMed

Buzalaf, M A; Granjeiro, J M; Damante, C A; de Ornelas, F

2001-01-01

Usually infant milk formula is the major source of fluoride in infancy. Fluoride concentrations in ten samples of powdered milk formulas, prepared with deionized, bottled mineral, and fluoridated drinking water were determined after HMDS-facilitated diffusion, using a fluoride ion specific electrode(Orion 9609). Fluoride concentrations ranged from 0.01 to 0.75 ppm; from 0.02 to 1.37 ppm and from 0.91 to 1.65 ppm for formulas prepared with deionized, bottled mineral (0.02 to 0.69 ppm F) and fluorinated drinking water (0.9 ppm F), respectively. Possible fluoride ingestion per Kg body mass ws estimated. With deionized water, only the soy-based- formulas should provide a daily fluoride intake of above the suggested threshold for fluorosis. With water containing 0.9 ppm F, however, all of them would provide it. Hence, to limit fluoride intakes to amounts <0.1 mg/kg/day, it is necessary to avoid use fo fluoridated water (around 1 ppm) to dilute powdered infant formulas.

Global Anthropogenic Phosphorus Loads to Fresh Water, Grey Water Footprint and Water Pollution Levels: A High-Resolution Global Study

NASA Astrophysics Data System (ADS)

Mekonnen, M. M.; Hoekstra, A. Y. Y.

2014-12-01

We estimated anthropogenic phosphorus (P) loads to freshwater, globally at a spatial resolution level of 5 by 5 arc minute. The global anthropogenic P load to freshwater systems from both diffuse and point sources in the period 2002-2010 was 1.5 million tonnes per year. China contributed about 30% to this global anthropogenic P load. India was the second largest contributor (8%), followed by the USA (7%), Spain and Brazil each contributing 6% to the total. The domestic sector contributed the largest share (54%) to this total followed by agriculture (38%) and industry (8%). Among the crops, production of cereals had the largest contribution to the P loads (32%), followed by fruits, vegetables, and oil crops, each contributing about 15% to the total. We also calculated the resultant grey water footprints, and relate the grey water footprints per river basin to runoff to calculate the P-related water pollution level (WPL) per catchment.

Analysis of turbulent mixing in Dewakang Sill, Southern Makassar Strait

NASA Astrophysics Data System (ADS)

Risko; Atmadipoera, A. S.; Jaya, I.; Sudjono, E. H.

2017-01-01

Dewakang Sill is located in southern Makassar Strait, conveying major path of Indonesian Throughflow (ITF), as a confluence region of different water masses, such as salty Pacific water and fresh Java Sea water. Its depth is about 680 m which blocks the ITF flow below this depth into Flores Sea. This research aimed to estimate turbulent mixing in the Dewakang Sill by applying Thorpe analysis using 24 hours “yoyo” CTD data sets, acquired from MAJAFLOX Cruise in August 2015. The results showed that stratification of water masses is dominated by Pacific water origin. Those are North Pacific Subtropical thermocline and Intermediate water masses. Mean dissipation of turbulent kinetic energy (ɛ) and turbulent vertical diffusivity (Kρ ) value in the Dewakang Sill are of O(1.08 × 10-6)Wkg-1, and O(2.84 × 10-4) m2s-1 respectively. High correlation between epsilon and internal waves oscillation suggested that internal tidal waves activities are the major forcing for turbulent mixing in the study area.

Spatial and Temporal Variations in the Partial Pressure and Emission of CO2 and CH4 in and Amazon Floodplain Lake

NASA Astrophysics Data System (ADS)

Forsberg, B. R.; Amaral, J. H.; Barbosa, P.; Kasper, D.; MacIntyre, S.; Cortes, A.; Sarmento, H.; Borges, A. V.; Melack, J. M.; Farjalla, V.

2015-12-01

The Amazon floodplain contains a variety of wetland environments which contribute CO2 and CH4 to the regional and global atmospheres. The partial pressure and emission of these greenhouse gases (GHGs) varies: 1) between habitats, 2) seasonally, as the characteristics these habitats changes and 3) diurnally, in response to diurnal stratification. In this study, we investigated the combined influence of these factors on the partial pressure and emission of GHGs in Lago Janauacá, a central Amazon floodplain lake (3o23' S; 60o18' O). All measurements were made between August of 2014 and April of 2015 at two different sites and in three distinct habitats: open water, flooded forest, flooded macrophytes. Concentrations of CO2 and CH4 in air were measured continuously with a cavity enhanced absorption spectrometer, Los Gatos Research´s Ultraportable Greenhouse Gas Analyzer (UGGA). Vertical profiles o pCO2 and pCH4 were measured using the UGGA connected to an electric pump and equilibrator. Diffusive surface emissions were estimated with the UGGA connected to a static floating chamber. To investigate the influence of vertical stratification and mixing on GHG partial pressure and emissions, a meteorological station and submersible sensor chain were deployed at each site. Meteorological sensors included wind speed and direction. The submersible chains included thermistors and oxygen sensors. Depth profiles of partial pressure and diffusive emissions for both CO2 and CH4 varied diurnally, seasonally and between habitats. Both pCO2 and pCH4 were consistently higher in bottom than surface waters with the largest differences occurring at high water when thermal stratification was most stable. Methane emissions and partial pressures were highest at low water while pCO2 and CO2 fluxes were highest during high water periods, with 35% of CO2 fluxes at low water being negative. The highest average surface value of pCO2 (5491 μatm), encountered during rising water, was ~3 times higher than that encountered at low water (1708 μatm). Partial pressures and emissions of both CO2 and CH4 were greatest in open water habitats and consistently higher at night. These patterns reflected the higher levels of wind driven mixing and turbulence in open water environments and higher convective mixing at night which promoted diffusive emission.

Water Diffusion through a Titanium Dioxide/Poly(Carbonate Urethane) Nanocomposite for Protecting Cultural Heritage: Interactions and Viscoelastic Behavior

PubMed Central

Abbate, Mario; D’Orazio, Loredana

2017-01-01

Water diffusion through a TiO2/poly (carbonate urethane) nanocomposite designed for the eco-sustainable protection of outdoor cultural heritage stonework was investigated. Water is recognized as a threat to heritage, hence the aim was to gather information on the amount of water uptake, as well as of species of water molecules absorbed within the polymer matrix. Gravimetric and vibrational spectroscopy measurements demonstrated that diffusion behavior of the nanocomposite/water system is Fickian, i.e., diffusivity is independent of concentration. The addition of only 1% of TiO2 nanoparticles strongly betters PU barrier properties and water-repellency requirement is imparted. Defensive action against penetration of water free from, and bonded through, H-bonding association arises from balance among TiO2 hydrophilicity, tortuosity effects and quality of nanoparticle dispersion and interfacial interactions. Further beneficial to antisoiling/antigraffiti action is that water-free fraction was found to be desorbed at a constant rate. In environmental conditions, under which weathering processes are most likely to occur, nanocomposite Tg values remain suitable for heritage treatments. PMID:28902179

Unmanned aerial vehicle observations of water surface elevation and bathymetry in the cenotes and lagoons of the Yucatan Peninsula, Mexico

NASA Astrophysics Data System (ADS)

Bandini, Filippo; Lopez-Tamayo, Alejandro; Merediz-Alonso, Gonzalo; Olesen, Daniel; Jakobsen, Jakob; Wang, Sheng; Garcia, Monica; Bauer-Gottwein, Peter

2018-04-01

Observations of water surface elevation (WSE) and bathymetry of the lagoons and cenotes of the Yucatán Peninsula (YP) in southeast Mexico are of hydrogeological interest. Observations of WSE (orthometric water height above mean sea level, amsl) are required to inform hydrological models, to estimate hydraulic gradients and groundwater flow directions. Measurements of bathymetry and water depth (elevation of the water surface above the bed of the water body) improve current knowledge on how lagoons and cenotes connect through the complicated submerged cave systems and the diffuse flow in the rock matrix. A novel approach is described that uses unmanned aerial vehicles (UAVs) to monitor WSE and bathymetry of the inland water bodies on the YP. UAV-borne WSE observations were retrieved using a radar and a global navigation satellite system on-board a multi-copter platform. Water depth was measured using a tethered floating sonar controlled by the UAV. This sonar provides depth measurements also in deep and turbid water. Bathymetry (wet-bed elevation amsl) can be computed by subtracting water depth from WSE. Accuracy of the WSE measurements is better than 5-7 cm and accuracy of the water depth measurements is estimated to be 3.8% of the actual water depth. The technology provided accurate measurements of WSE and bathymetry in both wetlands (lagoons) and cenotes. UAV-borne technology is shown to be a more flexible and lower cost alternative to manned aircrafts. UAVs allow monitoring of remote areas located in the jungle of the YP, which are difficult to access by human operators.