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Sample records for adsorption distribution coefficients

  1. Radionuclide adsorption distribution coefficients measured in Hanford sediments for the low level waste performance assessment project

    SciTech Connect

    Kaplan, D.I.; Serne, R.J.; Owen, A.T.

    1996-08-01

    Preliminary modeling efforts for the Hanford Site`s Low Level Waste-Performance Assessment (LLW PA) identified {sup 129}I, {sup 237}Np, {sup 79}Se, {sup 99}Tc, and {sup 234},{sup 235},{sup 238}U as posing the greatest potential health hazard. It was also determined that the outcome of these simulations was very sensitive to the parameter describing the extent to which radionuclides sorb to the subsurface matrix, i.e., the distribution coefficient (K{sub d}). The distribution coefficient is a ratio of the radionuclide concentration associated with the solid phase to that in the liquid phase. The objectives of this study were to (1) measure iodine, neptunium, technetium, and uranium K{sub d} values using laboratory conditions similar to those expected at the LLW PA disposal site, and (2) evaluate the effect of selected environmental parameters, such as pH, ionic strength, moisture concentration, and radio nuclide concentration, on K{sub d} values of selected radionuclides. It is the intent of these studies to develop technically defensible K{sub d} values for the PA. The approach taken throughout these studies was to measure the key radio nuclide K{sub d} values as a function of several environmental parameters likely to affect their values. Such an approach provides technical defensibility by identifying the mechanisms responsible for trends in K{sub d} values. Additionally, such studies provide valuable guidance regarding the range of K{sub d} values likely to be encountered in the proposed disposal site.

  2. Adsorption coefficients for TNT on soil and clay minerals

    NASA Astrophysics Data System (ADS)

    Rivera, Rosángela; Pabón, Julissa; Pérez, Omarie; Muñoz, Miguel A.; Mina, Nairmen

    2007-04-01

    To understand the fate and transport mechanisms of TNT from buried landmines is it essential to determine the adsorption process of TNT on soil and clay minerals. In this research, soil samples from horizons Ap and A from Jobos Series at Isabela, Puerto Rico were studied. The clay fractions were separated from the other soil components by centrifugation. Using the hydrometer method the particle size distribution for the soil horizons was obtained. Physical and chemical characterization studies such as cation exchange capacity (CEC), surface area, percent of organic matter and pH were performed for the soil and clay samples. A complete mineralogical characterization of clay fractions using X-ray diffraction analysis reveals the presence of kaolinite, goethite, hematite, gibbsite and quartz. In order to obtain adsorption coefficients (K d values) for the TNT-soil and TNT-clay interactions high performance liquid chromatography (HPLC) was used. The adsorption process for TNT-soil was described by the Langmuir model. A higher adsorption was observed in the Ap horizon. The Freundlich model described the adsorption process for TNT-clay interactions. The affinity and relative adsorption capacity of the clay for TNT were higher in the A horizon. These results suggest that adsorption by soil organic matter predominates over adsorption on clay minerals when significant soil organic matter content is present. It was found that, properties like cation exchange capacity and surface area are important factors in the adsorption of clayey soils.

  3. Overall Heat and Mass Transfer Coefficient of Water Vapor Adsorption

    NASA Astrophysics Data System (ADS)

    Hamamoto, Yoshinori; Mori, Hideo; Godo, Masazumi; Miura, Kunio; Watanabe, Yutaka; Ishizawa, Toshihiko; Takatsuka, Takeshi

    A fundamental investigation was performed to develop a compact and simple desiccant ventilation unit which is one of the main components of a novel energy saving air-conditioning system. Water vapor in the air is adsorbed and/or desorbed to be controlled the humidity of supply air through a unit of an adsorbent packed bed. A numerical simulation helps to understand the phenomena of heat and mass transfer in the bed. Overall transfer coefficients of them as properties for the simulation were estimated by performing both experiment and calculation. It was clarified that the transient overall equivalent heat and mass transfer does not strongly depend on the air flow rate through the packed bed, the averaged equivalent mass transfer is governed by surface and pore diffusion in a particle of adsorbent at low flow rate. Moreover, the coefficient during the adsorption process is slightly larger than desorption. An equation of the overall mass transfer coefficient is derived. It shows five times as large as the value estimated by experiment. Therefore, the correlation and fitting parameters are presented for prediction of the overall heat and mass transfer coefficients. The estimation accuracy was improved.

  4. Acetylated Lysozyme as Impurity in Lysozyme Crystals: Constant Distribution Coefficient

    NASA Technical Reports Server (NTRS)

    Thomas, B. R.; Chernov, A. A.

    2000-01-01

    Hen egg white lysozyme (HEWL) was acetylated to modify molecular charge keeping the molecular size and weight nearly constant. Two derivatives, A and B, more and less acetylated, respectively, were obtained, separated, purified and added to the solution from which crystals of tetragonal HEWL crystals were grown. Amounts of the A or B impurities added were 0.76, 0.38 and 0.1 milligram per millimeter while HEWL concentration were 20, 30 and 40 milligram per milliliter. The crystals grown in 18 experiments for each impurity were dissolved and quantities of A or B additives in these crystals were analyzed by cation exchange high performance liquid chromatography. All the data for each set of 18 samples with the different impurity and regular HEWL concentrations is well described by one distribution coefficient K = 2.15 plus or minus 0.13 for A and K = 3.42 plus or minus 0.25 for B. The observed independence of the distribution coefficient on both the impurity concentration and supersaturation is explained by the dilution model described in this paper. It shows that impurity adsorption and incorporation rate is proportional to the impurity concentration and that the growth rate is proportional to the crystallizing protein in solution. With the kinetic coefficient for crystallization, beta = 5.10(exp -7) centimeters per second, the frequency at which an impurity molecule near the growing interface irreversibly joins a molecular site on the crystal was found to be 3 1 per second, much higher than the average frequency for crystal molecules. For best quality protein crystals it is better to have low microheterogeneous protein impurity concentration and high supers aturation.

  5. Distribution Coefficients of Impurities in Metals

    NASA Astrophysics Data System (ADS)

    Pearce, J. V.

    2014-04-01

    Impurities dissolved in very pure metals at the level of parts per million often cause an elevation or depression of the freezing temperature of the order of millikelvins. This represents a significant contribution to the uncertainty of standard platinum resistance thermometer calibrations. An important parameter for characterizing the behavior of impurities is the distribution coefficient , which is the ratio of the solid solubility to liquid solubility. A knowledge of for a given binary system is essential for contemporary methods of evaluating or correcting for the effect of impurities, and it is therefore of universal interest to have the most complete set of values possible. A survey of equilibrium values of (in the low concentration limit) reported in the literature for the International Temperature Scale of 1990 fixed points of Hg, Ga, In, Sn, Zn, Al, Au, Ag, and Cu is presented. In addition, thermodynamic calculations of using MTDATA are presented for 170 binary systems. In total, the combined values of from all available sources for 430 binary systems are presented. In addition, by considering all available values of for impurities in 25 different metal solvents (1300 binary systems) enough data are available to characterize patterns in the value of for a given impurity as a function of its position in the periodic table. This enables prediction of for a significant number of binary systems for which data and calculations are unavailable. By combining data from many sources, values of for solutes (atomic number from 1 to 94) in ITS-90 fixed points from Hg to Cu are suggested, together with some tentative predicted values where literature data and calculations are unavailable.

  6. Coefficient Omega Bootstrap Confidence Intervals: Nonnormal Distributions

    ERIC Educational Resources Information Center

    Padilla, Miguel A.; Divers, Jasmin

    2013-01-01

    The performance of the normal theory bootstrap (NTB), the percentile bootstrap (PB), and the bias-corrected and accelerated (BCa) bootstrap confidence intervals (CIs) for coefficient omega was assessed through a Monte Carlo simulation under conditions not previously investigated. Of particular interests were nonnormal Likert-type and binary items.…

  7. Effects of Motility and Adsorption Rate Coefficient on Transport of Bacteria through Saturated Porous Media

    PubMed Central

    Camper, Anne K.; Hayes, Jason T.; Sturman, Paul J.; Jones, Warren L.; Cunningham, Alfred B.

    1993-01-01

    Three strains of Pseudomonas fluorescens with different motility rates and adsorption rate coefficients were injected into porous-medium reactors packed with l-mm-diameter glass spheres. Cell breakthrough, time to peak concentration, tailing, and cell recovery were measured at three interstitial pore velocities (higher than, lower than, and much lower than the maximal bacterial motility rate). All experiments were done with distilled water to reduce the effects of growth and chemotaxis. Contrary to expectations, motility did not result in either early breakthrough or early time to peak concentration at flow velocities below the motility rate. Bacterial size exclusion effects were shown to affect breakthrough curve shape at the very low flow velocity, but no such effect was seen at the higher flow velocity. The tendency of bacteria to adsorb to porous-medium surfaces, as measured by adsorption rate coefficients, profoundly influenced transport characteristics. Cell recoveries were shown to be correlated with the ratio of advective to adsorptive transport in the reactors. Adsorption rate coefficients were found to be better predictors of microbial transport phenomena than individual characteristics, such as size, motility, or porous-medium hydrodynamics. PMID:16349075

  8. Coefficient of variation calculated from the range for skewed distributions.

    PubMed

    Rhiel, G Steven

    2006-02-01

    In this research a coefficient of variation (CVS(high.low)) is developed that is calculated from the highest and lowest values in a set of data for samples from skewed distributions. A correction factor is determined such that CVS(high-low) is a dose estimate of the population coefficient of variation when sampling from three skewed chi-squared distributions and three skewed empirical distributions. The empirical distributions are from "real-world" data sets in psychology and education.

  9. The intraclass correlation coefficient: distribution-free definition and test.

    PubMed

    Commenges, D; Jacqmin, H

    1994-06-01

    A definition of the intraclass correlation coefficient is given on the basis of a general class of random effect model. The conventional intraclass correlation coefficient and the intracluster correlation coefficient for binary data are both particular cases of the generalized coefficient. We derive the score test for the hypothesis of null intraclass correlation in the exponential family. The statistic does not depend on the particular distribution in this family and is related to the pairwise correlation coefficient. The test can be adjusted for explanatory variables.

  10. Basalt-radionuclide distribution coefficient determinations. FY-1979 annual report

    SciTech Connect

    Ames, L.L.; McGarrah, J.E.

    1980-09-01

    Experimental radionuclide distribution coefficients (Kd') were determined for Pomona, Flow E, Umtanum basalts, and secondary mineralization associated with Pomona basalt at 23/sup 0/, 60/sup 0/ and 150/sup 0/C. Radionuclides used were /sup 75/Se, /sup 85/Sr, /sup 99/Tc, /sup 125/I, /sup 135/Cs, /sup 226/Ra, /sup 237/Np, /sup 238/U, /sup 241/Am, and /sup 241/Pu. Solution oxygen contents were controlled by the basalt/groundwater system (Eh = 600 to 700 mV), and were high (8.2 to 8.4 mg/l) at 23/sup 0/C. Oxygen contents and pH changed little in contact with basalt. The effects of temperature changes on radionuclide Kd' results varied depending upon the radionuclide involved, solution-solid reactions, and the relationship of the radionuclide to these reactions. For example, cesium Kd' values decreased from 3100 ml/g for Umtanum basalt at 23/sup 0/C to 120 ml/g at 150/sup 0/C. At the same time, strontium Kd' values increased for Umtanum basalt from 105 ml/g at 23/sup 0/C to complete removal at 150/sup 0/C and 40 days. Radionuclide adsorption coefficient measurements at higher temperatures and pressures were made in addition to the 23/sup 0/C, solution-solid contact time-conditional Kd (Kd') measurements. These include Kd' measurements with Umtanum basalt, Pomona basalt, Flow E basalt and secondary mineralization and radioisotopes of americium, cesium, iodine, neptunium, plutonium, radium, selenium, strontium, technetium and uranium. The additional temperatures involved were 60/sup 0/C, 150/sup 0/C, and 300/sup 0/C. At 150/sup 0/C, argon pressures of 6.9, 13.8, 20.7, and 27.6 MPa will be used to ascertain the effects of pressure changes on Kd' values. So far only the 6.9 MPa argon pressure has been investigated. The upper temperature of 250/sup 0/C is where thermal breakdown of dioctahedral smectites (secondary mineralization) begins.

  11. Risk assessment of distribution coefficient from 137Cs measurements.

    PubMed

    Külahci, Fatih; Sen, Zekai

    2009-02-01

    Classically distribution coefficient is defined as the ratio of solid total element concentration to surface water total concentration. This coefficient is obtained from the ion measurements in the Keban Dam, Turkey, which supplies water for domestic, irrigation and hydroelectric energy generation purposes. The measurements of 137Cs are carried out in 40 different sites and the general risk formulation and application is achieved for the distribution coefficient. The models are of exponential type and the spatial independence of the data is considered. Various charts are prepared for a set of risk levels as 5%, 10%, 20%, 25%, and 50%.

  12. On the distribution of seismic reflection coefficients and seismic amplitudes

    SciTech Connect

    Painter, S.; Paterson, L.; Beresford, G.

    1995-07-01

    Reflection coefficient sequences from 14 wells in Australia have a statistical character consistent with a non-Gaussian scaling noise model based on the Levy-stable family of probability distributions. Experimental histograms of reflection coefficients are accurately approximated by symmetric Levy-stable probability density functions with Levy index between 0.99 and 1.43. These distributions have the same canonical role in mathematical statistics as the Gaussian distribution, but they have slowly decaying tails and infinite moments. The distribution of reflection coefficients is independent of the spatial scale (statistically self-similar), and the reflection coefficient sequences have long-range dependence. These results suggest that the logarithm of seismic impedance can be modeled accurately using fractional Levy motion, which is a generalization of fractional Brownian motion. Synthetic seismograms produced from the authors` model for the reflection coefficients also have Levy-stable distributions. These isolations include transmission losses, the effects of reverberations, and the loss of resolution caused by band-limited wavelets, and suggest that actual seismic amplitudes with sufficient signal-to-noise ratio should also have a Levy-stable distribution. This prediction is verified using post-stack seismic data acquired in the Timor Sea and in the continental USA. However, prestack seismic amplitudes from the Timor Sea are nearly Gaussian. They attribute the difference between prestack and poststack data to the high level of measurement noise in the prestack data.

  13. Cesium adsorption and distribution onto crushed granite under different physicochemical conditions.

    PubMed

    Tsai, Shih-Chin; Wang, Tsing-Hai; Li, Ming-Hsu; Wei, Yuan-Yaw; Teng, Shi-Ping

    2009-01-30

    The adsorption of cesium onto crushed granite was investigated under different physicochemical conditions including contact time, Cs loading, ionic strength and temperature. In addition, the distribution of adsorbed Cs was examined by X-ray diffraction (XRD) and EDS mapping techniques. The results showed that Cs adsorption to crushed granite behaved as a first-order reaction with nice regression coefficients (R(2) > or = 0.971). Both Freundlich and Langmuir models were applicable to describe the adsorption. The maximum sorption capacity determined by Langmuir model was 80 micromol g(-1) at 25 degrees C and 10 micromol g(-1) at 55 degrees C. The reduced sorption capacity at high temperature was related to the partial enhancement of desorption from granite surface. In general, Cs adsorption was exothermic (DeltaH<0, with median of -12 kJ mol(-1)) and spontaneous (DeltaG<0, with median of -6.1 at 25 degrees C and -5.0 kJ mol(-1) at 55 degrees C). The presence of competing cations such as sodium and potassium ions in synthetic groundwater significantly reduces the Cs adsorption onto granite. The scanning electron microscopy-energy dispersive X-ray spectroscopy (SEM/EDS) mapping method provided substantial evidences that micaceous minerals (biotite in this case) dominate Cs adsorption. These adsorbed Cs ions were notably distributed onto the frayed edges of biotite minerals. More importantly, the locations of these adsorbed Cs were coincided with the potassium depletion area, implying the displacement of K by Cs adsorption. Further XRD patterns displayed a decreased intensity of signal of biotite as the Cs loading increased, revealing that the interlayer space of biotite was affected by Cs adsorption.

  14. Application of distribution coefficients to radiological assessment models

    SciTech Connect

    Schell, W.R.; Sanchez, A.L.; Underhill, D.W.; Thomas, E.

    1985-01-01

    A field and laboratory investigation of the transport of fallout radionuclides in natural, organic rich ecosystems has been initiated. Mountain-top peat bogs in Pennsylvania, New York and Virginia were sampled by coring, dated by Pb-210 methods and measured for bomb-produced Sr-90, Pu-239, 240, and Cs-137; laboratory measurements of the distribution coefficients for Cs-137, Sr-85, Ru-106, Am-241, and Co-57 by the constant shaking method have been made. These natural terrestrial ecosystems are labeled with fallout radionuclides from nuclear weapons tests which are environmental tracers of element transport. To explain the differences between the input from fallout and the distribution of Cs-137 in peat cores, a simple ''theoretical plate'' transport model has been used. Each year of growth is assumed to be a ''theoretical plate'' and Cs-137 deposited is transferred between plates by advection and mixing processes. The annual deposition of Cs-137 occurs on the (then) uppermost layer and is proportional to the atmospheric input. The theoretical plate model finds values of the advection and mixing coefficients which give the best fit between Cs-137 profile in the bog and the atmospherically-derived Cs-137. For the three bogs tested so far, the advection coefficients indicate an upward movement of Cs-137 as well as downward transport. Values for the diffusion coefficient range from 10E/sup -7/ to 10E/sup -9/ cm/sup 2/ s/sup -1/ depending on organic content and porosity. The mass transport values from the model are compared to laboratory measurements of distribution coefficients in simulated acid rain conditions. Based on the diffusion coefficients calculated from the model, a thickness of 8 to 20 cm of peat surrounding a leaking cannister of Cs-137 would not allow the radionuclide to enter an aquifer for 300 years from a low level waste disposal site.

  15. Distribution function approach to irreversible adsorption of interacting colloidal particles

    NASA Astrophysics Data System (ADS)

    Faraudo, Jordi; Bafaluy, Javier

    2000-01-01

    A statistical-mechanical description of the irreversible adsorption of interacting colloidal particles is developed. Our approach describes in a consistent way the interaction of particles from the bulk with adsorbed particles during the transport process towards the adsorbing surface. The macroscopic physical quantities corresponding to the actual process are expressed as averages over simpler auxiliary processes which proceed in the presence of a fixed number n of adsorbed particles. The adsorption rate verifies a generalized Langmuir equation, in which the kinetic resistance (the inverse of the kinetic coefficient) is expressed as the sum of a diffusional resistance and a resistance due to interaction with adsorbed particles during the transport process (blocking effect). Contrary to previous approaches, the blocking effect is not due to geometrical exclusion, instead it measures how the transport from the bulk is affected by the adsorbed particles. From the general expressions obtained, we have derived coverage expansions for the adsorption rate and the surface correlation function. The theory is applied to the case of colloidal particles interacting through DLVO potentials. This form of the kinetic coefficient is shown to be in agreement with recent experimental results, in which RSA fails.

  16. Review of Distribution Coefficients for Radionuclides in Carbonate Minerals

    SciTech Connect

    Sutton, M

    2009-08-14

    An understanding of the transport of radionuclides in carbonate minerals is necessary to be able to predict the fate of (and potentially remediate) radionuclides in the environment. In some environments, carbonate minerals such as calciate, aragonite, dolomite and limestone are present and an understanding of the sorption of radionuclides in these carbonate minerals is therefore advantageous. A list of the radionuclides of interest is given in Table 1. The distribution coefficient, K{sub d} is defined as the ratio of the contaminant concentration bound on the solid phase to the contaminant concentration remaining in the liquid phase at equilibrium. Some authors report distribution coefficients and other report partition coefficients, the data presented in this work assumes equality between these two terms, and data are presented and summarized in this work as logarithmic distribution coefficient (log K{sub D}). Published literature was searched using two methods. Firstly, the JNC Sorption Database, namely Shubutani et al (1999), and Suyama and Sasamoto (2004) was used to select elements of interest and a number of carbonate minerals. Secondly, on-line literature search tools were used to locate relevant published articles from 1900 to 2009. Over 300 data points covering 16 elements (hydrogen, carbon, calcium, nickel, strontium, technetium, palladium, iodine, cesium, samarium, europium, holmium, uranium, neptunium, plutonium and americium) were used to calculate an average and range of log K{sub d} values for each element. Unfortunately, no data could be found for chlorine, argon, krypton, zirconium, niobium, tin, thorium and curium. A description of the data is given below, together with the average, standard deviation, minimum, maximum and number of inputs for radionuclide K{sub d} values for calcite, aragonate, limestone, dolomite and unidentified carbonate rocks in Table 2. Finally, the data are condensed into one group (carbonate minerals) of data for each

  17. The distribution and adsorption behavior of aliphatic amines in marine and lacustrine sediments

    SciTech Connect

    Wang, Xuchen; Lee, C. )

    1990-10-01

    The methylated amines - monomethyl-, dimethyl-, and trimethyl amine (MMA, DMA, TMA) - are commonly found in aquatic environments, apparently as a result of decomposition processes. Adsorption of these amines to clay minerals and organic matter significantly influences their distribution in sediments. Laboratory measurements using {sup 14}C-radiolabelled amines and application of a linear partitioning model resulted in calculated adsorption coefficients of 2.4-4.7 (MMA), 3.3 (DMA), and 3.3-4.1 (TMA). Further studies showed that adsorption of amines is influenced by salinity of the porewaters, and clay mineral and organic matter content of the sediment solid phase. Concentrations of monomethyl- and dimethyl amine were measured in the porewaters and the solid phase of sediment samples collected from Flax Pond and Lake Ronkonkoma (NY), Long Island Sound, and the coastal Peru upwelling area. These two amines were present in all sediments investigated. A clear seasonal increase in the solid-phase concentration of MMA and DMA in Flax Pond sediments was likely related to the annual senescence of salt marsh grasses, either directly as a source of these compounds or indirectly by providing additional exchange capacity to the sediments. The distribution of amines in the solid and dissolved phases observed in all sediments investigated suggests that the distribution of these compounds results from a balance among production, decomposition, and adsorption processes.

  18. Impact of inhomogeneous optical scattering coefficient distribution on recovery of optical absorption coefficient maps using tomographic photoacoustic data.

    PubMed

    Li, Xiaoqi; Jiang, Huabei

    2013-02-21

    We present a study through extensive simulation that considers the impact of inhomogeneous optical scattering coefficient distribution on recovery of optical absorption coefficient maps using tomographic photoacoustic data collected from media mimicking breast tissue. We found that while the impact of scattering heterogeneities/targets is modest on photoacoustic recovery of optical absorption coefficients, the impact of scattering contrast caused by adipose tissue, a layer of normal tissue along the boundary of the breast, is dramatic on reconstruction of optical absorption coefficients using photoacoustic data-up to 25.8% relative error in recovering the absorption coefficient is estimated in such cases. To overcome this problem, we propose a new method to enhance photoacoustic recovery of the optical absorption coefficient in heterogeneous media by considering inhomogeneous scattering coefficient distribution provided by diffuse optical tomography (DOT). Results from extensive simulations show that photoacoustic recovery of absorption coefficient maps can be improved considerably with a priori scattering information from DOT.

  19. Effect of charge distribution on RDX adsorption in IRMOF-10

    SciTech Connect

    Xiong, Ruichang; Keffer, David J.; Fuentes-Cabrera, Miguel A; Nicholson, Don M; Michalkova, Andrea; Petrova, Tetyana; Leszczynski, Jerzy; Odbadrakh, Khorgolkhuu; Doss, Bryant; Lewis, James

    2010-01-01

    Quantum mechanical (QM) calculations, classical grand canonical Monte Carlo (GCMC) simulations, and classical molecular dynamics (MD) simulations are performed to test the effect of charge distribution on hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) adsorption and diffusion in IRMOF-10. Several different methods for mapping QM electron distributions onto atomic point charges are explored, including the electrostatic potential (ESP) method, Mulliken population analysis, L{sub 0}wdin population analysis, and natural bond orbital analysis. Classical GCMC and MD simulations of RDX in IRMOF-10 are performed using 15 combinations of charge sources of RDX and IRMOF-10. As the charge distributions vary, interaction potential energies, the adsorption loading, and the self-diffusivities are significantly different. None of the 15 combinations are able to quantitatively capture the dependence of the energy of adsorption on local configuration of RDX as observed in the QM calculations. We observe changes in the charge distributions of RDX and IRMOF-10 with the introduction of an RDX molecule into the cage. We also observe a large dispersion contribution to the interaction energy from QM calculations that is not reproduced in the classical simulations, indicating that the source of discrepancy may not lie exclusively with the assignment of charges.

  20. DISTRIBUTION COEFFICIENTS FOR THE VOGTLE EARLY SITE PERMIT

    SciTech Connect

    Kaplan, D; Margaret Millings, M

    2006-07-18

    A series of sediment distribution coefficients, Kd values, measurements were conducted for Southern Nuclear Company, Inc. in support of their Early Site Permit application at Plant Vogtle, Georgia. Nineteen sediment and a representative groundwater samples from the Vogtle site were provided for the Savannah River National Laboratory to conducted site-specific Co, Cs, and Sr Kd measurements. The median Kd values of Co was 6.5 mL/g, for Sr was 10.0 mL/g, and for Cs was 18.8 mL/g. Cation exchange capacity (6.8 to 33.6 meq/100 g), particle size distribution (70 to 94% sand) and pH (4.7 to 5.2) were also measured in five sediments. The Kd values and the sediment properties values measured in these sediments were consistent with those measured in this region of the country.

  1. Measurement of distribution coefficients using a radial injection dual-tracer test

    SciTech Connect

    Pickens, J.F.; Jackson, R.E.; Inch, K.J.; Merritt, W.F.

    1981-06-01

    The dispersive and adsorptive properties of a sandy aquifer were evaluated by using a radial injection dual-tracer test with /sup 131/I as the nonreactive tracer and /sup 85/Sr as the reactive tracer. The tracer migration was monitored by using multilevel point-sampling devices located at various radial distances and depths. Nonequilibrium physical and chemical adsorption effects for /sup 85/Sr were treated as a spreading or dispersion mechanism in the breakthrough curve analysis. The resulting effective dispersivity values for /sup 85/Sr were typically a factor of 2 to 5 larger than those obtained for /sup 131/I. The distribution coefficient (K/sub d//sup Sr/) values obtained from analysis of the breakthrough curves at three depths and two radial distances ranged from 2.6 to 4.5 ml/g. These compare favorably with values obtained by separation of fluids from solids in sediment cores, by batch experiments on core sediments and by analysis of a 25-year-old radioactive waste plume in another part of the same aquifer. Correlations of adsorbed /sup 85/Sr radioactivity with grain size fractions demonstrated preferential adsorption to the coarsest fraction and to the finest fraction. The relative amounts of electrostatically and specifically adsorbed /sup 85/Sr on the aquifer sediments were determined with desorption experiments on core sediments using selective chemical extractants. The withdrawal phase breakthrough curves for the well, obtained immediately following the injection phase, showed essentially full tracer recoveries for both /sup 131/I and /sup 85/Sr. Relatively slow desorption of /sup 85/Sr provided further indication of the nonequilibrium nature of the adsorption-desorption phenomena.

  2. Search for function coefficient distribution in traditional Chinese medicine network

    NASA Astrophysics Data System (ADS)

    He, Yue; Zhang, Peipei; Sun, Anzheng; Su, Beibei; He, Da-Ren

    2004-03-01

    We suggest a model for a simulation on development of traditional Chinese medicine system. Suppose there are a certain number of Chinese medicines. Each of them is given randomly a "function coefficient", which has a value between 0 and 1. The larger it is the stronger is its function for solving one healthy problem and serving as an "emperor" in a prescription formulation. The smaller it is the stronger is its function for harmonizing and/or accessorizing a prescription formulation. In every step of time a new medicine is discovered. With a probability, P(m), which is determined according to our statistical investigation results, it can produce a new prescription formulation with other m-1 medicines. We assume that the probability for choosing the function coefficients of these m medicines follow a distribution function, which is everywhere smooth. A program has been set up to perform a search for this function form so that the simulation results show a best agreement to our statistical data. We believe the result function form will be helpful for an understanding on real development of traditional Chinese medicine system.

  3. Adsorption Behavior of Heat Modified Soybean Oil via Boundary Lubrication Coefficient of Friction Measurements

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The frictional behaviors of soybean oil and heat modified soybean oils with different Gardner scale viscosities as additives in hexadecane have been examined in a boundary lubrication test regime (steel contacts) using Langmuir adsorption model. The free energy of adsorption (delta-Gads) of various...

  4. Adsorption and Distribution of Fluorescent Solutes near the Articular Surface of Mechanically Injured Cartilage

    PubMed Central

    Decker, Sarah G.A.; Moeini, Mohammad; Chin, Hooi Chuan; Rosenzweig, Derek H.; Quinn, Thomas M.

    2013-01-01

    The development of cartilage-specific imaging agents supports the improvement of tissue assessment by minimally invasive means. Techniques for highlighting cartilage surface damage in clinical images could provide for sensitive indications of posttraumatic injury and early stage osteoarthritis. Previous studies in our laboratory have demonstrated that fluorescent solutes interact with cartilage surfaces strongly enough to affect measurement of their partition coefficients within the tissue bulk. In this study, these findings were extended by examining solute adsorption and distribution near the articular surface of mechanically injured cartilage. Using viable cartilage explants injured by an established protocol, solute distributions near the articular surface of three commonly used fluorophores (fluorescein isothiocyanate (FITC), tetramethylrhodamine isothiocyanate (TRITC), and carboxytetramethylrhodamine (TAMRA)) were observed after absorption and subsequent desorption to assess solute-specific matrix interactions and reversibility. Both absorption and desorption processes demonstrated a trend of significantly less solute adsorption at surfaces of fissures compared to adjacent intact surfaces of damaged explants or surfaces of uninjured explants. After adsorption, normalized mean surface intensities of fissured surfaces of injured explants were 6%, 40%, and 32% for FITC, TRITC, and TAMRA, respectively, compared to uninjured surfaces. Similar values were found for sliced explants and after a desorption process. After desorption, a trend of increased solute adsorption at the site of intact damaged surfaces was noted (316% and 238% for injured and sliced explants exposed to FITC). Surface adsorption of solute was strongest for FITC and weakest for TAMRA; no solutes negatively affected cell viability. Results support the development of imaging agents that highlight distinct differences between fissured and intact cartilage surfaces. PMID:24268155

  5. Effects of calcium and magnesium on strontium distribution coefficients

    USGS Publications Warehouse

    Bunde, R.L.; Rosentreter, J.J.; Liszewski, M.J.; Hemming, C.H.; Welhan, J.

    1997-01-01

    The effects of calcium and magnesium on the distribution of strontium between a surficial sediment and simulated wastewater solutions were measured as part of an investigation to determine strontium transport properties of surficial sediment at the Idaho National Engineering Laboratory (INEL), Idaho. The investigation was conducted by the U.S. Geological Survey and Idaho State University, in cooperation with the U.S. Department of Energy. Batch experimental techniques were used to determine strontium linear sorption isotherms and distribution coefficients (K(d)'s) using simulated wastewater solutions prepared at pH 8.0??0.1 with variable concentrations of calcium and magnesium. Strontium linear sorption isotherm K(d)'s ranged from 12??1 to 85??3 ml/g, increasing as the concentration of calcium and magnesium decreased. The concentration of sorbed strontium and the percentage of strontium retained by the sediment were correlated to aqueous concentrations of strontium, calcium, and magnesium. The effect of these cation concentrations on strontium sorption was quantified using multivariate least-squares regression techniques. Analysis of data from these experiments indicates that increased concentrations of calcium and magnesium in wastewater discharged to waste disposal ponds at the INEL increases the availability of strontium for transport beneath the ponds by decreasing strontium sorption to the surficial sediment.

  6. Pesticide adsorption in relation to soil properties and soil type distribution in regional scale.

    PubMed

    Kodešová, Radka; Kočárek, Martin; Kodeš, Vít; Drábek, Ondřej; Kozák, Josef; Hejtmánková, Kateřina

    2011-02-15

    Study was focused on the evaluation of pesticide adsorption in soils, as one of the parameters, which are necessary to know when assessing possible groundwater contamination caused by pesticides commonly used in agriculture. Batch sorption tests were performed for 11 selected pesticides and 13 representative soils. The Freundlich equations were used to describe adsorption isotherms. Multiple-linear regressions were used to predict the Freundlich adsorption coefficients from measured soil properties. Resulting functions and a soil map of the Czech Republic were used to generate maps of the coefficient distribution. The multiple linear regressions showed that the K(F) coefficient depended on: (a) combination of OM (organic matter content), pH(KCl) and CEC (cation exchange capacity), or OM, SCS (sorption complex saturation) and salinity (terbuthylazine), (b) combination of OM and pH(KCl), or OM, SCS and salinity (prometryne), (c) combination of OM and pH(KCl), or OM and ρ(z) (metribuzin), (d) combination of OM, CEC and clay content, or clay content, CEC and salinity (hexazinone), (e) combination of OM and pH(KCl), or OM and SCS (metolachlor), (f) OM or combination of OM and CaCO(3) (chlorotoluron), (g) OM (azoxystrobin), (h) combination of OM and pH(KCl) (trifluralin), (i) combination of OM and clay content (fipronil), (j) combination of OM and pH(KCl), or OM, pH(KCl) and CaCO(3) (thiacloprid), (k) combination of OM, pH(KCl) and CEC, or sand content, pH(KCl) and salinity (chlormequat chloride).

  7. Counterion adsorption theory of dilute polyelectrolyte solutions: Apparent molecular weight, second virial coefficient, and intermolecular structure factor

    PubMed Central

    Muthukumar, M.

    2012-01-01

    Polyelectrolyte chains are well known to be strongly correlated even in extremely dilute solutions in the absence of additional strong electrolytes. Such correlations result in severe difficulties in interpreting light scattering measurements in the determination of the molecular weight, radius of gyration, and the second virial coefficient of charged macromolecules at lower ionic strengths from added strong electrolytes. By accounting for charge-regularization of the polyelectrolyte by the counterions, we present a theory of the apparent molecular weight, second virial coefficient, and the intermolecular structure factor in dilute polyelectrolyte solutions in terms of concentrations of the polymer and the added strong electrolyte. The counterion adsorption of the polyelectrolyte chains to differing levels at different concentrations of the strong electrolyte can lead to even an order of magnitude discrepancy in the molecular weight inferred from light scattering measurements. Based on counterion-mediated charge regularization, the second virial coefficient of the polyelectrolyte and the interchain structure factor are derived self-consistently. The effect of the interchain correlations, dominating at lower salt concentrations, on the inference of the radius of gyration and on molecular weight is derived. Conditions for the onset of nonmonotonic scattering wave vector dependence of scattered intensity upon lowering the electrolyte concentration and interpretation of the apparent radius of gyration are derived in terms of the counterion adsorption mechanism. PMID:22830728

  8. Counterion adsorption theory of dilute polyelectrolyte solutions: apparent molecular weight, second virial coefficient, and intermolecular structure factor.

    PubMed

    Muthukumar, M

    2012-07-21

    Polyelectrolyte chains are well known to be strongly correlated even in extremely dilute solutions in the absence of additional strong electrolytes. Such correlations result in severe difficulties in interpreting light scattering measurements in the determination of the molecular weight, radius of gyration, and the second virial coefficient of charged macromolecules at lower ionic strengths from added strong electrolytes. By accounting for charge-regularization of the polyelectrolyte by the counterions, we present a theory of the apparent molecular weight, second virial coefficient, and the intermolecular structure factor in dilute polyelectrolyte solutions in terms of concentrations of the polymer and the added strong electrolyte. The counterion adsorption of the polyelectrolyte chains to differing levels at different concentrations of the strong electrolyte can lead to even an order of magnitude discrepancy in the molecular weight inferred from light scattering measurements. Based on counterion-mediated charge regularization, the second virial coefficient of the polyelectrolyte and the interchain structure factor are derived self-consistently. The effect of the interchain correlations, dominating at lower salt concentrations, on the inference of the radius of gyration and on molecular weight is derived. Conditions for the onset of nonmonotonic scattering wave vector dependence of scattered intensity upon lowering the electrolyte concentration and interpretation of the apparent radius of gyration are derived in terms of the counterion adsorption mechanism.

  9. Higher-order skewness and excess coefficients of some probability distributions applicable to optical propagation phenomena

    NASA Technical Reports Server (NTRS)

    Majumdar, A. K.

    1979-01-01

    Expressions are derived for higher-order skewness and excess coefficients using central moments and cumulants up to 8th order. These coefficients are then calculated for three probability distributions: (1) Log-normal, (2) Rice-Nakagami, and (3) Gamma distributions. Curves are given to shown the variation of skewness with excess coefficients for these distributions. These curves are independent of the particular distribution parameters. This method is useful for studying fluctuating phenomena, which obey non-Gaussian statistics.

  10. Dissociation coefficients of protein adsorption to nanoparticles as quantitative metrics for description of the protein corona: A comparison of experimental techniques and methodological relevance.

    PubMed

    Hühn, Jonas; Fedeli, Chiara; Zhang, Qian; Masood, Atif; Del Pino, Pablo; Khashab, Niveen M; Papini, Emanuele; Parak, Wolfgang J

    2016-06-01

    Protein adsorption to nanoparticles is described as a chemical reaction in which proteins attach to binding sites on the nanoparticle surface. This process is defined by a dissociation coefficient, which tells how many proteins are adsorbed per nanoparticle in dependence of the protein concentration. Different techniques to experimentally determine dissociation coefficients of protein adsorption to nanoparticles are reviewed. Results of more than 130 experiments in which dissociation coefficients have been determined are compared. Data show that different methods, nanoparticle systems, and proteins can lead to significantly different dissociation coefficients. However, we observed a clear tendency of smaller dissociation coefficients upon less negative towards more positive zeta potentials of the nanoparticles. The zeta potential thus is a key parameter influencing protein adsorption to the surface of nanoparticles. Our analysis highlights the importance of the characterization of the parameters governing protein-nanoparticle interaction for quantitative evaluation and objective literature comparison. PMID:26748245

  11. Carrier Mediated Distribution System (CAMDIS): a new approach for the measurement of octanol/water distribution coefficients.

    PubMed

    Wagner, Bjoern; Fischer, Holger; Kansy, Manfred; Seelig, Anna; Assmus, Frauke

    2015-02-20

    Here we present a miniaturized assay, referred to as Carrier-Mediated Distribution System (CAMDIS) for fast and reliable measurement of octanol/water distribution coefficients, log D(oct). By introducing a filter support for octanol, phase separation from water is facilitated and the tendency of emulsion formation (emulsification) at the interface is reduced. A guideline for the best practice of CAMDIS is given, describing a strategy to manage drug adsorption at the filter-supported octanol/buffer interface. We validated the assay on a set of 52 structurally diverse drugs with known shake flask log D(oct) values. Excellent agreement with literature data (r(2) = 0.996, standard error of estimate, SEE = 0.111), high reproducibility (standard deviation, SD < 0.1 log D(oct) units), minimal sample consumption (10 μL of 100 μM DMSO stock solution) and a broad analytical range (log D(oct) range = -0.5 to 4.2) make CAMDIS a valuable tool for the high-throughput assessment of log D(oc)t.

  12. Characterization of rock matrix block size distribution, dispersivity, and mass transfer coefficients in fractured porous media

    NASA Astrophysics Data System (ADS)

    Sharifi Haddad, Amin

    Fractured porous media are important structures in petroleum engineering and geohydrology. The accelerating global demand for energy has turned the focus to fractured formations. The fractured porous media are also found in conventional naturally fractured reservoirs and the water supply from karst (carbonate) aquifers. Studying mass transfer processes allows us to explore the complexities and uncertainties encountered with fractured rocks. This dissertation is developing an analytical methodology for the study of mass transfer in fractured reservoirs. The dissertation begins with two cases that demonstrate the importance of the rock matrix block size distribution and dispersivity through a transient mass exchange mechanism between rock matrix blocks and fractures. The first case assumes a medium with no surface adsorption, and the second case includes the surface adsorption variable. One of the main focuses of this work is the characterization of the rock matrix block size distribution in fractured porous media. Seismic surveying, well test analysis, well logging, and geomechanical tools are currently used to characterize this property, based on measurements of different variables. This study explores an innovative method of using solute transport to determine the fracture intensity. This methodology is applied to slab-shaped rock matrix blocks and can easily be extended to other geometries. Another focus of this dissertation is the characterization of dispersivity in field scale studies. Improving our knowledge of dispersivity will enable more accurate mass transfer predictions and advance the study of transport processes. Field tracer tests demonstrated that dispersivity is scale-dependent. Proposed functions for the increasing trend of dispersivity include linear and asymptotic scale-dependence. This study investigated the linear dispersivity trend around the injection wellbore. An analysis of the tracer concentration in a monitoring well was used to

  13. Trace element distribution coefficients in alkaline series. [Titanites; bitite

    SciTech Connect

    Lemarchand, F.; Villemant, B.; Calas, G.

    1987-05-01

    Mineral/groundmass partition coefficients for U, Th, Zr, Hf, Ta, Rb, REE, Co and Sc have been systematically measured in olivine, clinopyroxene, amphibole, biotite, Ti-magnetites, titanite, zircon and feldspars, in basaltic to trachytic lavas from alkaline series (Velay, Chaine des Puys: Massif Central, France and Fayal: Azores). Average partition coefficients are defined within the experimental uncertainty for limited compositional ranges (basalt-hawaiite, mugearites, benmoreite-trachyte), and are useful for trace element modelling. The new results for U, Th, Ta, Zr and Hf partition coefficients show contrasting behaviour. They can thus be used as ''key elements'' for identifying fractionating mineral phases in differentiation processes (e.g. Ta and Th for amphibole and mica). Partition coefficient may be calculated using the two-lattice model suggested by NIELSEN (1985). Such values show a considerably reduced chemical dependence in natural systems, relative to weight per cent D values. The residual variations may be accounted for by temperature or volatile influence. This calculation greatly enhances modelling possibilities using trace elements for comparing differentiation series as well as for predicting the behaviour of elements during magmatic differentiation.

  14. System-dependent dispersion coefficients for the DFT-D3 treatment of adsorption processes on ionic surfaces.

    PubMed

    Ehrlich, Stephan; Moellmann, Jonas; Reckien, Werner; Bredow, Thomas; Grimme, Stefan

    2011-12-01

    Dispersion-corrected density functional theory calculations (DFT-D3) were performed for the adsorption of CO on MgO and C(2) H(2) on NaCl surfaces. An extension of our non-empirical scheme for the computation of atom-in-molecules dispersion coefficients is proposed. It is based on electrostatically embedded M(4)X(4) (M=Na, Mg) clusters that are used in TDDFT calculations of dynamic dipole polarizabilities. We find that the C(MM)(6) dispersion coefficients for bulk NaCl and MgO are reduced by factors of about 100 and 35 for Na and Mg, respectively, compared to the values of the free atoms. These are used in periodic DFT calculations with the revPBE semi-local density functional. As demonstrated by calculations of adsorption potential energy curves, the new C(6) coefficients lead to much more accurate energies (E(ads)) and molecule-surface distances than with previous DFT-D schemes. For NaCl/C(2) H(2) we obtained at the revPBE-D3(BJ) level a value of E(ads) =-7.4 kcal mol(-1) in good agreement with experimental data (-5.7 to -7.1 kcal mol(-1)). Dispersion-uncorrected DFT yields an unbound surface state. For the MgO/CO system, the computed revPBE-D3(BJ) value of E(ads) =-4.1 kcal mol(-1) is also in reasonable agreement with experimental results (-3.0 kcal mol(-1)) when thermal corrections are taken into account. Our new dispersion correction also improves computed lattice constants of the bulk systems significantly compared to plain DFT or previous DFT-D results. The extended DFT-D3 scheme also provides accurate non-covalent interactions for ionic systems without empirical adjustments and is suggested as a general tool in surface science.

  15. Clinopyroxene REE distribution coefficients for shergottites The REE content of the Shergotty melt

    NASA Technical Reports Server (NTRS)

    Mckay, G.; Wagstaff, J.; Yang, S.-R.

    1986-01-01

    Rare-earth element (REE) distribution coefficients were measured between synthetic pyroxenes and melts similar in composition to the Shergotty intercumulus fluid. REE-doped synthetic glass samples were analyzed by means of an automated microbeam electron microprobe. The coefficients were found to exhibit a strong positive correlation with pyroxene wollastonite content. Using distribution coefficients measured for the natural phase compositions, REE abundances for the Shergotty intercumulus melt were computed.

  16. Measurement and prediction of aromatic solute distribution coefficients for aqueous-organic solvent systems. Final report

    SciTech Connect

    Campbell, J.R.; Luthy, R.G.

    1984-06-01

    Experimental and modeling activities were performed to assess techniques for measurement and prediction of distribution coefficients for aromatic solutes between water and immiscible organic solvents. Experiments were performed to measure distribution coefficients in both clean water and wastewater systems, and to assess treatment of a wastewater by solvent extraction. The theoretical portions of this investigation were directed towards development of techniques for prediction of solute-solvent/water distribution coefficients. Experiments were performed to assess treatment of a phenolic-laden coal conversion wastewater by solvent extraction. The results showed that solvent extraction for recovery of phenolic material offered several wastewater processing advantages. Distribution coefficients were measured in clean water and wastewater systems for aromatic solutes of varying functionality with different solvent types. It was found that distribution coefficients for these compounds in clean water systems were not statistically different from distribution coefficients determined in a complex coal conversion process wastewater. These and other aromatic solute distribution coefficient data were employed for evaluation of modeling techniques for prediction of solute-solvent/water distribution coefficients. Eight solvents were selected in order to represent various chemical classes: toluene and benzene (aromatics), hexane and heptane (alkanes), n-octanol (alcohols), n-butyl acetate (esters), diisopropyl ether (ethers), and methylisobutyl ketone (ketones). The aromatic solutes included: nonpolar compounds such as benzene, toluene and naphthalene, phenolic compounds such as phenol, cresol and catechol, nitrogenous aromatics such as aniline, pyridine and aminonaphthalene, and other aromatic solutes such as naphthol, quinolinol and halogenated compounds. 100 references, 20 figures, 34 tables.

  17. EFFECTS OF COVAPORS ON ADSORPTION RATE COEFFICIENTS OF ORGANIC VAPORS ADSORBED ONTO ACTIVATED CARBON FROM FLOWING AIR

    SciTech Connect

    G. WOOD

    2000-12-01

    Published breakthrough time, adsorption rate, and capacity data for components of organic vapor mixtures adsorbed from flows through fixed activated carbon beds have been analyzed. Capacities (as stoichiometric centers of constant pattern breakthrough curves) yielded stoichiometric times {tau}, which are useful for determining elution orders of mixture components. We also calculated adsorption rate coefficients k{sub v} of the Wheeler (or, more general Reaction Kinetic) breakthrough curve equation, when not reported, from breakthrough times and {tau}. Ninety-five k{sub v} (in mixture)/ k{sub v} (single vapor) ratios at similar vapor concentrations were calculated and averaged for elution order categories. For 43 first-eluting vapors the average ratio (1.07) was statistically no different (0.21 standard deviation) than unity, so that we recommend using the single-vapor k{sub v} for such. Forty-seven second-eluting vapor ratios averaged 0.85 (0.24 standard deviation), also not significantly different from unity; however, other evidence and considerations lead us recommend using k{sub v} (in mixture) = 0.85 k{sub v} (single vapor). Five third- and fourth-eluting vapors gave an average of 0.56 (0.16 standard deviation) for a recommended k{sub v} (in mixture) = 0.56 k{sub v} (single vapor) for such.

  18. Distribution and factors affecting adsorption of sterols in the surface sediments of Bosten Lake and Manas Lake, Xinjiang.

    PubMed

    Liu, Jiang; Yao, Xiaorui; Lu, Jianjiang; Qiao, Xiuwen; Liu, Zilong; Li, Shanman

    2016-03-01

    This study investigated the concentrations and distribution of eight sterol compounds in the surface sediments of Bosten Lake and Manas Lake, Xinjiang, China. The ratios of sterols as diagnostic indices were used to identify pollution sources. The sediment of the two lakes was selected as an adsorbent to investigate the adsorption behaviour of sterols. Results showed that the sterols were widely distributed in the sediments of the lakes in the study areas. The total concentrations of the detected sterols in Bosten Lake and in Manas Lake were 1.584-27.897 and 2.048-18.373 μg g(-1)∙dw, respectively. In all of the sampling sites, the amount of faecal sterols was less than that of plant sterols. β-sitosterol was the dominant plant sterol with a mean concentration of 2.378 ± 2.234 μg g(-1)∙dw; cholesterol was the most abundant faecal sterol with a mean concentration of 1.060 ± 1.402 μg g(-1)∙dw. The pollution level was higher in Bosten Lake than in Manas Lake. Majority of the ratios clearly demonstrated that the contamination by human faecal sources was occurring at stations which are adjacent to residential areas and water inlets. The adsorption behaviour of sterols to sediment suggested that the sterol adsorption coefficients were reduced as temperature increased. As salinity increased, the adsorption quantity also increased. As pH increased, the sediment adsorption of sterol slightly increased because the strong alkaline solution is not conducive to the adsorption of sterols. The ratios between sterols did not change largely with the change in external factors.

  19. Certification of the European reference soil set (IRMM-443--EUROSOILS). Part I. Adsorption coefficients for atrazine, 2,4-D and lindane.

    PubMed

    Gawlik, B M; Lamberty, A; Pauwels, J; Blum, W E H; Mentler, A; Bussian, B; Eklo, O; Fox, K; Kördel, W; Hennecke, D; Maurer, T; Perrin-Ganier, C; Pflugmacher, J; Romero-Taboada, E; Szabo, G; Muntau, H

    2003-08-01

    The European Commission has characterised and certified a set of six European soils (the EUROSOILS) under the number IRMM-443. After a successful validation and trial period with a preliminary batch it was decided to produce a new batch of certified reference materials. Part I of this paper describes the certification of adsorption coefficients for atrazine, 2,4-D and lindane in these soils. The adsorption coefficients were determined according to OECD Test Guideline 106. Additionally, the underlying principles for the value assignment process according to the GUM and their practical application to the numerical data obtained during the certification exercise according to ISO Guide 34 and 35 are discussed.

  20. An extended equation for rate coefficients for adsorption of organic vapors and gases on activated carbons in air-purifying respirator cartridges.

    PubMed

    Wood, G O; Lodewyckx, P

    2003-01-01

    Organic vapor adsorption rates in air-purifying respirator cartridges (and other packed beds of activated carbon granules) need to be known for estimating service lives. The correlation of Lodewyckx and Vansant [AIHAJ 61:501-505 (2000)] for mass transfer coefficients for organic vapor adsorption onto activated carbon was tested with additional data from three sources. It was then extended to better describe all the data, including that for gases. The additional parameter that accomplished this was the square root of molar equilibrium capacity of the vapor or gas on the carbon. This change, along with skew corrections when appropriate, resulted in better correlations with all experimental rate coefficients. PMID:14521430

  1. Effect of water content on strontium retardation factor and distribution coefficient in Chinese loess.

    PubMed

    Huo, Lijuan; Qian, Tianwei; Hao, Junting; Liu, Hongfang; Zhao, Dongye

    2013-12-01

    Geological burial and landfill are often employed for disposal of nuclear wastes. Typically, radionuclides from nuclear facilities transport through the unsaturated zone before reaching the groundwater aquifer. However, transport studies are often conducted under saturated and steady-state flow conditions. This research aimed to examine the effects of unsaturated flow conditions and soil water content (θ) on Sr sorption and retardation in Chinese loess through 1D column transport experiments. Reagent SrCl2 was used as a surrogate for the radioactive isotope ((90)Sr) in the experiment because of their analogous adsorption and transportation characteristics. The spatial distribution of Sr along the column length was determined by segmenting the soil bed and analysing the Sr content in each soil segment following each column breakthrough test. The single-region (SR) and two-region (TR) models were employed to interpret the transport data of Sr as well as a tracer (Br(-)), which resulted in the dispersion coefficient (D) and retardation factor (Rd) under a given set of unsaturated flow conditions. For the tracer, the SR and TR models offered nearly the same goodness of fitting to the breakthrough curves (R(2) ≈ 0.97 for both models). For the highly sorptive Sr, however, the TR model provided better fitting (R(2), 0.80-0.96) to the Sr retention profiles than the SR model (R(2), 0.20-0.89). The Sr retention curves exhibited physical non-equilibrium characteristics, particularly at lower water content of the soil. For the unsaturated soil, D and the pore water velocity (v) displayed a weak linear correlation, which is attributed to the altering dispersivity as the water content varies. A much improved linear correlation was observed between D and v/θ. The retardation factor of Sr increased from 69.1 to 174.2 as θ decreased from 0.46 to 0.26 (cm(3) cm(-3)), while the distribution coefficient (Kd) based on Rd remained nearly unchanged at various θ levels. These

  2. Modeling temperature dependence of trace element concentrations in groundwater using temperature dependent distribution coefficient

    NASA Astrophysics Data System (ADS)

    Saito, H.; Saito, T.; Hamamoto, S.; Komatsu, T.

    2015-12-01

    In our previous study, we have observed trace element concentrations in groundwater increased when groundwater temperature was increased with constant thermal loading using a 50-m long vertical heat exchanger installed at Saitama University, Japan. During the field experiment, 38 degree C fluid was circulated in the heat exchanger resulting 2.8 kW thermal loading over 295 days. Groundwater samples were collected regularly from 17-m and 40-m deep aquifers at four observation wells located 1, 2, 5, and 10 m, respectively, from the heat exchange well and were analyzed with ICP-MS. As a result, concentrations of some trace elements such as boron increased with temperature especially at the 17-m deep aquifer that is known as marine sediment. It has been also observed that the increased concentrations have decreased after the thermal loading was terminated indicating that this phenomenon may be reversible. Although the mechanism is not fully understood, changes in the liquid phase concentration should be associated with dissolution and/or desorption from the solid phase. We therefore attempt to model this phenomenon by introducing temperature dependence in equilibrium linear adsorption isotherms. We assumed that distribution coefficients decrease with temperature so that the liquid phase concentration of a given element becomes higher as the temperature increases under the condition that the total mass stays constant. A shape function was developed to model the temperature dependence of the distribution coefficient. By solving the mass balance equation between the liquid phase and the solid phase for a given element, a new term describing changes in the concentration was implemented in a source/sink term of a standard convection dispersion equation (CDE). The CDE was then solved under a constant ground water flow using FlexPDE. By calibrating parameters in the newly developed shape function, the changes in element concentrations observed were quite well predicted. The

  3. A solid-phase extraction method for rapidly determining the adsorption coefficient of pharmaceuticals in sewage sludge

    PubMed Central

    Berthod, Laurence; Roberts, Gary; Whitley, David C.; Sharpe, Alan; Mills, Graham A.

    2014-01-01

    The partitioning of pharmaceuticals in the environment can be assessed by measuring their adsorption coefficients (Kd) between aqueous and solid phases. Measuring this coefficient in sewage sludge gives an indication of their partitioning behaviour in a wastewater treatment plant and hence contributes to an understanding of their subsequent fate. The regulatory approved method for measuring Kd in sewage sludge is the US Environmental Protection Agency's Office of Prevention, Pesticides and Toxic Substances (OPPTS) guideline 835.1110, which is labour intensive and time consuming. We describe an alternative method for measuring the Kd of pharmaceuticals in sewage sludge using a modified solid-phase extraction (SPE) technique. SPE cartridges were packed at different sludge/PTFE ratios (0.4, 6.0, 24.0 and 40.0% w/w sludge) and eluted with phosphate buffer at pH 7.4. The approach was tested initially using three pharmaceuticals (clofibric acid, diclofenac and oxytetracycline) that covered a range of Kd values. Subsequently, the sorption behaviour of ten further pharmaceuticals with varying physico-chemical properties was evaluated. Results from the SPE method were comparable to those of the OPPTS test, with a correlation coefficient of 0.93 between the two approaches. SPE cartridges packed with sludge and PTFE were stable for up to one year; use within one month reduced variability in measurements (to a maximum of 0.6 log units). The SPE method is low-cost, easy to use and enables the rapid measurement of Kd values for a large number of chemicals. It can be used as an alternative to the more laborious full OPPTS test in environmental fate studies and risk assessments. PMID:25299795

  4. The Anomalous Distributions and Soret Coefficient in a Nonequilibrium Colloidal System

    NASA Astrophysics Data System (ADS)

    Zhou, Yanjun; Du, Jiulin

    2016-02-01

    We study the density distribution and Soret coefficient in a nonequilibrium colloidal system by using the overdamped Langevin equation for Brownian motion in an inhomogeneous strong friction medium. Based on the relation between the temperature gradient, the interaction potential and the q-parameter in nonextensive statistics, we show that the colloidal particle density can be a function of the temperature and anomalously follows the noted α-distribution, or equivalently it can also be a function of the potential energy following Tsallis distribution. With the q-parameter we can establish a new formula of Soret coefficient and thus, bridge the gap between the ideally theoretical Soret coefficient and available experiments.

  5. Transport coefficients in Lorentz plasmas with the power-law kappa-distribution

    SciTech Connect

    Jiulin, Du

    2013-09-15

    Transport coefficients in Lorentz plasma with the power-law κ-distribution are studied by means of using the transport equation and macroscopic laws of Lorentz plasma without magnetic field. Expressions of electric conductivity, thermoelectric coefficient, and thermal conductivity for the power-law κ-distribution are accurately derived. It is shown that these transport coefficients are significantly modified by the κ-parameter, and in the limit of the parameter κ→∞ they are reduced to the standard forms for a Maxwellian distribution.

  6. Self-similar optical pulses in competing cubic-quintic nonlinear media with distributed coefficients

    SciTech Connect

    Zhang Jiefang; Tian Qing; Wang Yueyue; Dai Chaoqing; Wu Lei

    2010-02-15

    We present a systematic analysis of the self-similar propagation of optical pulses within the framework of the generalized cubic-quintic nonlinear Schroedinger equation with distributed coefficients. By appropriately choosing the relations between the distributed coefficients, we not only retrieve the exact self-similar solitonic solutions, but also find both the approximate self-similar Gaussian-Hermite solutions and compact solutions. Our analytical and numerical considerations reveal that proper choices of the distributed coefficients could make the unstable solitons stable and could restrict the nonlinear interaction between the neighboring solitons.

  7. The distribution of nitrogen species and adsorption of ammonium in sediments from the tidal Potomac River and estuary

    USGS Publications Warehouse

    Simon, N.S.; Kennedy, M.M.

    1987-01-01

    The distribution of dissolved ammonium, adsorbed ammonium and residual, organic and total nitrogen was measured in Potomac River tidal, transition zone and lower estuary sediments to a depth of 66 cm. For these sediments, exchangeable ammonium, and thereby adsorbed ammonium concentrations, were determined directly using an ammonia electrode in alkaline sediment suspensions. Ammonia electrode data were comparable to data obtained by KCl extraction of fresh sediment. The conventional unitless ammonium adsorption coefficient, calculated as the slope of the regression line drawn when sediment-adsorbed ammonium (??mol g-1 dry wt of sediment) is plotted against interstitial water ammonium (??mol g-1 dry wt sediment), is 1??5 for this system. When a modified ammonium adsorption coefficient is calculated from sediment-adsorbed ammonium concentrations and a ratio of interstitial water ammonium and potassium concentrations, the regression equation through the data has a zero intercept and is more nearly linear than the regression equation of data based on conventional calculations. The use of a ratio including ammonium and potassium concentrations in the interstitial water term takes into account ionic strength variations in the estuary and competition between ammonium and potassium for adsorption sites. ?? 1987.

  8. Influence of pore size distribution on the adsorption of phenol on PET-based activated carbons.

    PubMed

    Lorenc-Grabowska, Ewa; Diez, María A; Gryglewicz, Grazyna

    2016-05-01

    The role of pore size distribution in the adsorption of phenol in aqueous solutions on polyethylene terephthalate (PET)-based activated carbons (ACs) has been analyzed. The ACs were prepared from PET and mixtures of PET with coal-tar pitch (CTP) by means of carbonization and subsequent steam and carbon dioxide activation at 850 and 950 °C, respectively. The resultant ACs were characterized on the basis of similarities in their surface chemical features and differences in their micropore size distributions. The adsorption of phenol was carried out in static conditions at ambient temperature. The pseudo-second order kinetic model and Langmuir model were found to fit the experimental data very well. The different adsorption capacities of the ACs towards phenol were attributed to differences in their micropore size distributions. Adsorption capacity was favoured by the volume of pores with a size smaller than 1.4 nm; but restricted by pores smaller than 0.8 nm. PMID:26890386

  9. The stochastic distribution of available coefficient of friction on quarry tiles for human locomotion.

    PubMed

    Chang, Wen-Ruey; Matz, Simon; Chang, Chien-Chi

    2012-01-01

    The available coefficient of friction (ACOF) for human locomotion is the maximum coefficient of friction that can be supported without a slip at the shoe and floor interface. A statistical model was introduced to estimate the probability of slip by comparing the ACOF with the required coefficient of friction, assuming that both coefficients have stochastic distributions. This paper presents an investigation of the stochastic distributions of the ACOF of quarry tiles under dry, water and glycerol conditions. One hundred friction measurements were performed on a walkway under the surface conditions of dry, water and 45% glycerol concentration. The Kolmogorov-Smirnov goodness-of-fit test was used to determine if the distribution of the ACOF was a good fit with the normal, log-normal and Weibull distributions. The results indicated that the ACOF appears to fit the normal and log-normal distributions better than the Weibull distribution for the water and glycerol conditions. However, no match was found between the distribution of ACOF under the dry condition and any of the three continuous distributions evaluated. Based on limited data, a normal distribution might be more appropriate due to its simplicity, practicality and familiarity among the three distributions evaluated.

  10. Pore size distribution analysis of activated carbons prepared from coconut shell using methane adsorption data

    NASA Astrophysics Data System (ADS)

    Ahmadpour, A.; Okhovat, A.; Darabi Mahboub, M. J.

    2013-06-01

    The application of Stoeckli theory to determine pore size distribution (PSD) of activated carbons using high pressure methane adsorption data is explored. Coconut shell was used as a raw material for the preparation of 16 different activated carbon samples. Four samples with higher methane adsorption were selected and nitrogen adsorption on these adsorbents was also investigated. Some differences are found between the PSD obtained from the analysis of nitrogen adsorption isotherms and their PSD resulting from the same analysis using methane adsorption data. It is suggested that these differences may arise from the specific interactions between nitrogen molecules and activated carbon surfaces; therefore caution is required in the interpretation of PSD obtained from the nitrogen isotherm data.

  11. Determining Partition Coefficient (Log P), Distribution Coefficient (Log D) and Ionization Constant (pKa) in Early Drug Discovery.

    PubMed

    Bharate, Sonali S; Kumar, Vikas; Vishwakarma, Ram A

    2016-01-01

    An early prediction of physicochemical properties is highly desirable during drug discovery to find out a viable lead candidate. Although there are several methods available to determine partition coefficient (log P), distribution coefficient (log D) and ionization constant (pKa), none of them involves simple and fixed, miniaturized protocols for diverse set of compounds. Therefore, it is necessary to establish simple, uniform and medium-throughput protocols requiring small sample quantities for the determination of these physicochemical properties. Log P and log D were determined by shake flask method, wherein, the compound was partitioned between presaturated noctanol and water phase (water/PBS pH 7.4) and the concentration of compound in each phase was determined by HPLC. The pKa determination made use of UV spectrophotometric analysis in a 96-well microtiter plate containing a series of aqueous buffers ranging from pH 1.0 to 13.0. The medium-throughput miniaturized protocols described herein, for determination of log P, log D and pKa, are straightforward to set up and require very small quantities of sample (< 5 mg for all three properties). All established protocols were validated using diverse set of compounds.

  12. Determining Partition Coefficient (Log P), Distribution Coefficient (Log D) and Ionization Constant (pKa) in Early Drug Discovery.

    PubMed

    Bharate, Sonali S; Kumar, Vikas; Vishwakarma, Ram A

    2016-01-01

    An early prediction of physicochemical properties is highly desirable during drug discovery to find out a viable lead candidate. Although there are several methods available to determine partition coefficient (log P), distribution coefficient (log D) and ionization constant (pKa), none of them involves simple and fixed, miniaturized protocols for diverse set of compounds. Therefore, it is necessary to establish simple, uniform and medium-throughput protocols requiring small sample quantities for the determination of these physicochemical properties. Log P and log D were determined by shake flask method, wherein, the compound was partitioned between presaturated noctanol and water phase (water/PBS pH 7.4) and the concentration of compound in each phase was determined by HPLC. The pKa determination made use of UV spectrophotometric analysis in a 96-well microtiter plate containing a series of aqueous buffers ranging from pH 1.0 to 13.0. The medium-throughput miniaturized protocols described herein, for determination of log P, log D and pKa, are straightforward to set up and require very small quantities of sample (< 5 mg for all three properties). All established protocols were validated using diverse set of compounds. PMID:27137915

  13. Adaptive Zero-Coefficient Distribution Scan for Inter Block Mode Coding of H.264/AVC

    NASA Astrophysics Data System (ADS)

    Wang, Jing-Xin; Su, Alvin W. Y.

    Scanning quantized transform coefficients is an important tool for video coding. For example, the MPEG-4 video coder adopts three different scans to get better coding efficiency. This paper proposes an adaptive zero-coefficient distribution scan in inter block coding. The proposed method attempts to improve H.264/AVC zero coefficient coding by modifying the scan operation. Since the zero-coefficient distribution is changed by the proposed scan method, new VLC tables for syntax elements used in context-adaptive variable length coding (CAVLC) are also provided. The savings in bit-rate range from 2.2% to 5.1% in the high bit-rate cases, depending on different test sequences.

  14. A proof for Rhiel's range estimator of the coefficient of variation for skewed distributions.

    PubMed

    Rhiel, G Steven

    2007-02-01

    In this research study is proof that the coefficient of variation (CV(high-low)) calculated from the highest and lowest values in a set of data is applicable to specific skewed distributions with varying means and standard deviations. Earlier Rhiel provided values for d(n), the standardized mean range, and a(n), an adjustment for bias in the range estimator of micro. These values are used in estimating the coefficient of variation from the range for skewed distributions. The d(n) and an values were specified for specific skewed distributions with a fixed mean and standard deviation. In this proof it is shown that the d(n) and an values are applicable for the specific skewed distributions when the mean and standard deviation can take on differing values. This will give the researcher confidence in using this statistic for skewed distributions regardless of the mean and standard deviation.

  15. Distribution coefficients of purine alkaloids in water-ammonium sulfate-alkyl acetate-dialkyl phthalate systems

    NASA Astrophysics Data System (ADS)

    Korenman, Ya. I.; Krivosheeva, O. A.; Mokshina, N. Ya.

    2012-12-01

    The distribution of purine alkaloids (caffeine, theobromine, theophylline) was studied in the systems: alkyl acetates-dialkyl phtalate-salting-out agent (ammonium sulfate). The quantitative characteristics of the extraction-distribution coefficients ( D) and the degree of extraction ( R, %) are calculated. The relationships between the distribution coefficients of alkaloids and the length of the hydrocarbon radical in the molecule of alkyl acetate (dialkyl phtalate) are determined. The possibility of predicting the distribution coefficients is demonstrated.

  16. The stochastic distribution of available coefficient of friction for human locomotion of five different floor surfaces.

    PubMed

    Chang, Wen-Ruey; Matz, Simon; Chang, Chien-Chi

    2014-05-01

    The maximum coefficient of friction that can be supported at the shoe and floor interface without a slip is usually called the available coefficient of friction (ACOF) for human locomotion. The probability of a slip could be estimated using a statistical model by comparing the ACOF with the required coefficient of friction (RCOF), assuming that both coefficients have stochastic distributions. An investigation of the stochastic distributions of the ACOF of five different floor surfaces under dry, water and glycerol conditions is presented in this paper. One hundred friction measurements were performed on each floor surface under each surface condition. The Kolmogorov-Smirnov goodness-of-fit test was used to determine if the distribution of the ACOF was a good fit with the normal, log-normal and Weibull distributions. The results indicated that the ACOF distributions had a slightly better match with the normal and log-normal distributions than with the Weibull in only three out of 15 cases with a statistical significance. The results are far more complex than what had heretofore been published and different scenarios could emerge. Since the ACOF is compared with the RCOF for the estimate of slip probability, the distribution of the ACOF in seven cases could be considered a constant for this purpose when the ACOF is much lower or higher than the RCOF. A few cases could be represented by a normal distribution for practical reasons based on their skewness and kurtosis values without a statistical significance. No representation could be found in three cases out of 15.

  17. Comparison of equilibrium and non-equilibrium distribution coefficients for the human drug carbamazepine

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The distribution coefficient (KD) for the human drug carbamazepine was measured using a non-equilibrium technique. Repacked soil columns were prepared using an Airport silt loam (Typic Natrustalf) with an average organic matter content of 2.45%. Carbamazepine solutions were then leached through th...

  18. Distribution coefficients of vitamin B2 in hydrophilic organic solvent-aqueous salt solution systems

    NASA Astrophysics Data System (ADS)

    Korenman, Ya. I.; Mokshina, N. Ya.; Zykov, A. V.

    2010-03-01

    Distribution coefficients of vitamin B2 in hydrophilic solvent ( n-butanol, isopropanol, acetone, ethyl acetate, and their mixtures)-aqueous salt (potassium chloride, sodium fluoride, and ammonium sulfate salting-out agents) solution systems were calculated. The synergic effect and optimum proportions of components in the solvent mixture for efficient extraction of vitamin B2 from aqueous solutions were established.

  19. Idling time of swimming bacteria near particulate surfaces contributes to apparent adsorption coefficients at the macroscopic scale under static conditions.

    PubMed

    Liu, Jun; Ford, Roseanne M

    2009-12-01

    Static capillary assays were performed to observe the distribution of Escherichia coli and several mutant strains at the interface between an aqueous solution and a Gelrite particulate suspension, used as a model porous medium. Motile smooth-swimming mutant bacteria (E. coli HCB437) accumulated at the interface, but did not penetrate very far into the Gelrite suspension. Motile wild-type bacteria (E. coli HCB1) penetrated much further than the smooth-swimming mutant, but did not accumulate to the same extent at the interface. Nonmotile tumbly mutant bacteria (E. coli HCB359) did not accumulate or penetrate to a significant degree. Computer simulations using a Monte Carlo algorithm, with input parameters based on bacterial swimming properties in static bulk aqueous systems, appeared to underestimate the bacterial idling time associated with solid surfaces. To account for physicochemical, biological and geometrical influences, an additional component of the bacterial idling time was included. The third component of the idling time was further analyzed semiquantitatively with a 1-D population-scale transport model with first-order association (k(on)) and dissociation (k(off)) adsorption-like kinetics. Computer simulation results suggested that this additional bacterial idling time not only increased the magnitudes of k(on) and k(off), but also enhanced the ratio of k(on) to k(off). This further implies that motile bacteria may tend to accumulate at the boundaries of low-permeable regions in groundwater systems, which is beneficial for bioremediation of residual contamination that may not be accessible by conventional remediation approaches.

  20. A computerized method to estimate friction coefficient from orientation distribution of meso-scale faults

    NASA Astrophysics Data System (ADS)

    Sato, Katsushi

    2016-08-01

    The friction coefficient controls the brittle strength of the Earth's crust for deformation recorded by faults. This study proposes a computerized method to determine the friction coefficient of meso-scale faults. The method is based on the analysis of orientation distribution of faults, and the principal stress axes and the stress ratio calculated by a stress tensor inversion technique. The method assumes that faults are activated according to the cohesionless Coulomb's failure criterion, where the fluctuations of fluid pressure and the magnitude of differential stress are assumed to induce faulting. In this case, the orientation distribution of fault planes is described by a probability density function that is visualized as linear contours on a Mohr diagram. The parametric optimization of the function for an observed fault population yields the friction coefficient. A test using an artificial fault-slip dataset successfully determines the internal friction angle (the arctangent of the friction coefficient) with its confidence interval of several degrees estimated by the bootstrap resampling technique. An application to natural faults cutting a Pleistocene forearc basin fill yields a friction coefficient around 0.7 which is experimentally predicted by the Byerlee's law.

  1. Effect of computed horizontal diffusion coefficients on two-dimensional N2O model distributions

    NASA Technical Reports Server (NTRS)

    Jackman, Charles H.; Guthrie, Paul D.; Schoeberl, Mark R.; Newman, Paul A.

    1988-01-01

    The effects of horizontal diffusion coefficients K(yy) and K(yz), computed directly from the residual circulation, on the N2O distribution in a photochemical model were investigated, using a modified version of the two-dimensional model of Guthrie et al. (1984). The residual circulation was computed using the NMC's temperature data and the heating rates reported by Rosenfield et al. (1987). As compared with the effect of the residual circulation alone, the use of horizontal diffusion coefficients produced substantial changes in the N2O distribution and increased the N2O's lifetime values by a few percent. It is suggested that trace gases, such as CH4, CFCl3, CF2Cl2, CH3Cl, and CCl4, which impact the NO(x), HO(x), and Cl(x) radical distributions and therefore ozone, will be influenced in a similar manner by the addition of more realistic diffusion fields.

  2. Measuring arbitrary diffusion coefficient distributions of nano-objects by taylor dispersion analysis.

    PubMed

    Cipelletti, Luca; Biron, Jean-Philippe; Martin, Michel; Cottet, Hervé

    2015-08-18

    Taylor dispersion analysis is an absolute and straightforward characterization method that allows determining the diffusion coefficient, or equivalently the hydrodynamic radius, from angstroms to submicron size range. In this work, we investigated the use of the Constrained Regularized Linear Inversion approach as a new data processing method to extract the probability density functions of the diffusion coefficient (or hydrodynamic radius) from experimental taylorgrams. This new approach can be applied to arbitrary polydisperse samples and gives access to the whole diffusion coefficient distributions, thereby significantly enhancing the potentiality of Taylor dispersion analysis. The method was successfully applied to both simulated and real experimental data for solutions of moderately polydisperse polymers and their binary and ternary mixtures. Distributions of diffusion coefficients obtained by this method were favorably compared with those derived from size exclusion chromatography. The influence of the noise of the simulated taylorgrams on the data processing is discussed. Finally, we discuss the ability of the method to correctly resolve bimodal distributions as a function of the relative separation between the two constituent species.

  3. The Effect of Baffles on the Temperature Distribution and Heat-transfer Coefficients of Finned Cylinders

    NASA Technical Reports Server (NTRS)

    Schey, Oscar W; Rollin, Vern G

    1936-01-01

    This report presents the results of an investigation to determine the effect of baffles on the temperature distribution and the heat-transfer coefficient of finned cylinders. The tests were conducted in a 30-inch wind tunnel on electrically heated cylinders with fins of 0.25 and 0.31 inch pitch. The results of these tests showed that the use of integral baffles gave a reduction of 31.9 percent in the rear wall temperatures and an increase of 54.2 percent in the heat transfer coefficient as compared with a cylinder without baffles.

  4. Calculation of an axial temperature distribution using the reflection coefficient of an acoustic wave.

    PubMed

    Červenka, Milan; Bednařík, Michal

    2015-10-01

    This work verifies the idea that in principle it is possible to reconstruct axial temperature distribution of fluid employing reflection or transmission of acoustic waves. It is assumed that the fluid is dissipationless and its density and speed of sound vary along the wave propagation direction because of the fluid temperature distribution. A numerical algorithm is proposed allowing for calculation of the temperature distribution on the basis of known frequency characteristics of reflection coefficient modulus. Functionality of the algorithm is illustrated on a few examples, its properties are discussed. PMID:26520344

  5. A site energy distribution function from Toth isotherm for adsorption of gases on heterogeneous surfaces.

    PubMed

    Kumar, K Vasanth; de Castro, M Monteiro; Martinez-Escandell, M; Molina-Sabio, M; Rodriguez-Reinoso, F

    2011-04-01

    A site energy distribution function based on a condensation approximation method is proposed for gas-phase adsorption systems following the Toth isotherm. The proposed model is successfully applied to estimate the site energy distribution of three pitch-based activated carbons (PA, PFeA and PBA) developed in our laboratory and also for other common adsorbent materials for different gas molecules. According to the proposed model the site energy distribution curves of the activated carbons are found to be exponential for hydrogen at 77 K. The site energy distribution of some of the activated carbon fibers, ambersorb, Dowex optipore, 13X Zeolite for different adsorbate molecules represents a quasi-Gaussian curve with a widened left hand side, indicating that most sites have adsorption energies lower than a statistical mean value.

  6. Trace-element sanidine/glass distribution coefficients for peralkaline silicic rocks and their implications to peralkaline petrogenesis

    NASA Astrophysics Data System (ADS)

    Drexler, J. W.; Bornhorst, T. J.; Noble, D. C.

    1983-10-01

    Sanidine/glass distribution coefficients for 11 trace elements have been determined on six peralkaline and two subalkaline silicic rocks. Distribution coefficients for Na, Sc, Fe, Cs, La, Ce, Sm, Tb and Lu from this study and the literature show little variation, within analytical uncertainty, for silicic rocks of peralkaline and subalkaline affinity. Distribution coefficients for Eu and Rb show a marked decrease with increasing peralkalinity. This variation may be the result of the decrease in the degree of polymerization from subalkaline to peralkaline silicic melts. Previous studies involving modelling of peralkaline rocks have selected, incorrectly, Eu and Rb sanidine/glass distribution coefficients determined from subalkaline silicic rocks.

  7. Effect of surface charge distribution on the adsorption orientation of proteins to lipid monolayers.

    PubMed

    Tiemeyer, Sebastian; Paulus, Michael; Tolan, Metin

    2010-09-01

    The adsorption orientation of the proteins lysozyme and ribonuclease A (RNase A) to a neutral 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) and a negatively charged stearic acid lipid film was investigated by means of X-ray reflectivity. Both proteins adsorbed to the negatively charged lipid monolayer, whereas at the neutral monolayer, no adsorption was observed. For acquiring comprehensive information on the proteins' adsorption, X-ray reflectivity data were combined with electron densities obtained from crystallographic data. With this method, it is possible to determine the orientation of adsorbed proteins in solution underneath lipid monolayers. While RNase A specifically coupled with its positively charged active site to the negatively charged lipid monolayer, lysozyme prefers an orientation with its long axis parallel to the Langmuir film. In comparison to the electrostatic maps of the proteins, our results can be explained by the discriminative surface charge distribution of lysozyme and RNase A.

  8. Effect of surface charge distribution on the adsorption orientation of proteins to lipid monolayers.

    PubMed

    Tiemeyer, Sebastian; Paulus, Michael; Tolan, Metin

    2010-09-01

    The adsorption orientation of the proteins lysozyme and ribonuclease A (RNase A) to a neutral 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) and a negatively charged stearic acid lipid film was investigated by means of X-ray reflectivity. Both proteins adsorbed to the negatively charged lipid monolayer, whereas at the neutral monolayer, no adsorption was observed. For acquiring comprehensive information on the proteins' adsorption, X-ray reflectivity data were combined with electron densities obtained from crystallographic data. With this method, it is possible to determine the orientation of adsorbed proteins in solution underneath lipid monolayers. While RNase A specifically coupled with its positively charged active site to the negatively charged lipid monolayer, lysozyme prefers an orientation with its long axis parallel to the Langmuir film. In comparison to the electrostatic maps of the proteins, our results can be explained by the discriminative surface charge distribution of lysozyme and RNase A. PMID:20707324

  9. Analysis of segregation trends observed in iron meteorites using measured distribution coefficients

    NASA Astrophysics Data System (ADS)

    Sellamuthu, R.; Goldstein, J. I.

    1985-02-01

    Fe-Ni alloys of meteoritic composition were solidified by a plane front solidification technique. Distribution coefficients of Ni, P, Ir, Ge, and Cu were determined from the composition data of the plane front solidified alloys. Equations that describe the distribution coefficients (P, Ni, Ir, Ge, and Cu) as a function of S and P content as well as S to P ratio were used to calculate solute partitioning between solid and liquid during the solidification of IIAB, IIIAB, and IVA parent bodies. The calculated P versus Ni, Ir versus Ni, Ge versus Ni, and Cu versus Ni trends are in good agreement with the observed meteorite data for each chemical group. It is concluded that each chemical group formed as a single molten pool in a parent body and that solute partitioning that occurred during solidification is responsible for the observed compositional trends within a single meteorite group.

  10. Coefficients of caffeine distribution in aliphatic alcohol-ammonium sulfate-water systems

    NASA Astrophysics Data System (ADS)

    Korenman, Ya. I.; Krivosheeva, O. A.; Mokshina, N. Ya.

    2012-11-01

    The extraction of caffeine with aliphatic alcohols C3-C9 from aqueous solutions in the presence of a salting-out agent (ammonium sulfate) is studied. Quantitative characteristics of extraction are calculated: the distribution coefficients ( D) and the degree of recovery ( R, %). Relations are found between log D of caffeine and the length of the hydrocarbon radical in the alcohol molecule, along with certain physicochemical properties of the extragents.

  11. Correction for Rhiel's theory for the range estimator of the coefficient of variation for skewed distributions.

    PubMed

    Rhiel, G Steven

    2010-02-01

    In 2007, Rhiel presented a technique to estimate the coefficient of variation from the range when sampling from skewed distributions. To provide an unbiased estimate, a correction factor (a(n)) for the mean was included. Numerical correction factors for a number of skewed distributions were provided. In a follow-up paper, he provided a proof he claimed showed the correction factor was independent of the mean and standard deviation, making the factors useful as these parameters vary; however, that proof did not establish independence. Herein is a proof which establishes the independence.

  12. Do lab-derived distribution coefficient values of pesticides match distribution coefficient values determined from column and field-scale experiments? A critical analysis of relevant literature.

    PubMed

    Vereecken, H; Vanderborght, J; Kasteel, R; Spiteller, M; Schäffer, A; Close, M

    2011-01-01

    In this study, we analyzed sorption parameters for pesticides that were derived from batch and column or batch and field experiments. The batch experiments analyzed in this study were run with the same pesticide and soil as in the column and field experiments. We analyzed the relationship between the pore water velocity of the column and field experiments, solute residence times, and sorption parameters, such as the organic carbon normalized distribution coefficient ( ) and the mass exchange coefficient in kinetic models, as well as the predictability of sorption parameters from basic soil properties. The batch/column analysis included 38 studies with a total of 139 observations. The batch/field analysis included five studies, resulting in a dataset of 24 observations. For the batch/column data, power law relationships between pore water velocity, residence time, and sorption constants were derived. The unexplained variability in these equations was reduced, taking into account the saturation status and the packing status (disturbed-undisturbed) of the soil sample. A new regression equation was derived that allows estimating the values derived from column experiments using organic matter and bulk density with an value of 0.56. Regression analysis of the batch/column data showed that the relationship between batch- and column-derived values depends on the saturation status and packing of the soil column. Analysis of the batch/field data showed that as the batch-derived value becomes larger, field-derived values tend to be lower than the corresponding batch-derived values, and vice versa. The present dataset also showed that the variability in the ratio of batch- to column-derived value increases with increasing pore water velocity, with a maximum value approaching 3.5. PMID:21546674

  13. Energy dependent sticking coefficients of trimethylamine on Si(001)-Influence of the datively bonded intermediate state on the adsorption dynamics

    NASA Astrophysics Data System (ADS)

    Lipponer, M. A.; Reutzel, M.; Dürr, M.; Höfer, U.

    2016-11-01

    The adsorption dynamics of the datively bonded trimethylamine (TMA) on Si(001) was investigated by means of molecular beam techniques. The initial sticking probability s0 of TMA on Si(001) was measured as a function of kinetic energy at two different surface temperatures (230 and 550 K). At given surface temperature, s0 was found to decrease with increasing kinetic energy (0.1 to 0.6 eV) indicating a non-activated reaction channel. At increased surface temperature, s0 is reduced due to the onset of desorption into the gas phase. The energy dependence of s0 is compared to the results for the adsorption of tetrahydrofuran (THF) on Si(001), which reacts via a datively bonded intermediate into a covalently bound final state. As s0 follows the same energy dependence both for TMA and THF, the datively bonded intermediate state is concluded to dominate the reaction dynamics in the latter case as well.

  14. DISTRIBUTION AND RANGE OF RADIONUCLIDE SORPTION COEFFICIENTS IN A SAVANNAH RIVER SITE SUBSURFACE: STOCHASTIC MODELING CONSIDERATIONS

    SciTech Connect

    Kaplan, D.; et. al

    2010-01-11

    The uncertainty associated with the sorption coefficient, or K{sub d} value, is one of the key uncertainties in estimating risk associated with burying low-level nuclear waste in the subsurface. The objective of this study was to measure >648 K{sub d} values and provide a measure of the range and distribution (normal or log-normal) of radionuclide K{sub d} values appropriate for the E-Area disposal site, within the Savannah River Site, near Aiken South Carolina. The 95% confidence level for the mean K{sub d} was twice the mean in the Aquifer Zone (18-30.5 m depth), equal to the mean for the Upper Vadose Zone (3.3-10 m depth), and half the mean for the Lower Vadose Zone (3.10-18 m depth). The distribution of K{sub d} values was log normal in the Upper Vadose Zone and Aquifer Zone, and normal in the Lower Vadose Zone. To our knowledge, this is the first report of natural radionuclide Kd variability in the literature. Using ranges and distribution coefficients that are specific to the hydrostratigraphic unit improved model accuracy and reduced model uncertainty. Unfortunately, extension of these conclusions to other sites is likely not appropriate given that each site has its own sources of hydrogeological variability. However, this study provides one of the first examples of the development stochastic ranges and distributions of K{sub d} values for a hydrological unit for stochastic modeling.

  15. Thorium adsorption in the ocean: reversibility and distribution amongst particle sizes

    NASA Astrophysics Data System (ADS)

    Moore, Robert M.; Hunter, Keith A.

    1985-11-01

    Experiments have been carried out to determine whether the adsorption of Th by marine suspended particles is a reversible process. The results indicate reversibility on a time scale of hours. The distribution of Th between the 'dissolved' state (<0.22 μm particle size) and various particle size fractions has been compared with predictions based on a hyperbolic size distribution of marine particles assuming spherical geometry and surface adsorption. Thorium is present in small particles to a much smaller degree than such a model would predict, so that the use of 1 μm pore size filters to separate 'dissolved' and 'particulate' Th does not introduce serious errors. The implications of these results on the reversible exchange model of BACON and ANDERSON (1982) and on the settling model of TSUNOGAI and MINAGAWA (1978) are discussed.

  16. Pore size distribution and supercritical hydrogen adsorption in activated carbon fibers.

    PubMed

    Purewal, J J; Kabbour, H; Vajo, J J; Ahn, C C; Fultz, B

    2009-05-20

    Pore size distributions (PSD) and supercritical H2 isotherms have been measured for two activated carbon fiber (ACF) samples. The surface area and the PSD both depend on the degree of activation to which the ACF has been exposed. The low-surface-area ACF has a narrow PSD centered at 0.5 nm, while the high-surface-area ACF has a broad distribution of pore widths between 0.5 and 2 nm. The H2 adsorption enthalpy in the zero-coverage limit depends on the relative abundance of the smallest pores relative to the larger pores. Measurements of the H2 isosteric adsorption enthalpy indicate the presence of energy heterogeneity in both ACF samples. Additional measurements on a microporous, coconut-derived activated carbon are presented for reference.

  17. Adsorption of zwitterionic fluoroquinolone antibacterials to goethite: a charge distribution-multisite complexation model.

    PubMed

    Paul, Tias; Liu, Jinyong; Machesky, Michael L; Strathmann, Timothy J

    2014-08-15

    Fluoroquinolone (FQ) antibacterials are aquatic contaminants of emerging concern (CEC), and adsorption to mineral surfaces is expected to play an important role in the fate, transport, and treatment of FQs. This study characterizes and models the adsorption of a zwitterionic FQ, ofloxacin (OFX), to goethite (α-FeOOH) over a wide range of pH (3-11), OFX concentration (20-500 μM), and electrolyte compositions (0.001-0.1M NaCl and NaClO4). Comparing OFX adsorption to structural analogues demonstrates that the carboxylate group is essential for binding to goethite. ATR-FTIR measurements indicate that FQs complex to goethite surfaces through carboxylate and carbonyl oxygen atoms, and that ClO4(-) co-adsorbs with OFX. Adsorption of the zwitterionic OFX increases with increasing ionic strength and is enhanced in NaClO4 relative to NaCl electrolyte, whereas adsorption of a non-zwitterionic analogue is insensitive to ionic strength. A CD-MUSIC (charge distribution-multisite complexation) model, incorporating multiple modes of surface complexation constrained by spectroscopic measurements and the crystallographic distribution of goethite surface sites, yields accurate predictions over wide-ranging solution conditions. According to the model, OFX adsorbs predominantly by inner-sphere complexation on terminal surfaces of the rod-shaped goethite crystals in NaCl electrolyte, and OFX-ClO4(-) ion pairing in NaClO4 induces formation of additional inner- and outer-sphere surface complexes on multiple crystal faces of goethite.

  18. Electron distribution function and recombination coefficient in ultracold plasma in a magnetic field

    SciTech Connect

    Bobrov, A. A.; Bronin, S. Ya.; Zelener, B. B.; Zelener, B. V.; Manykin, E. A.; Khikhlukha, D. R.

    2013-07-15

    The electron distribution function and diffusion coefficient in energy space have been calculated for the first time for a weakly coupled ultracold plasma in a magnetic field in the range of magnetic fields B = 100-50000 G for various temperatures. The dependence of these characteristics on the magnetic field is analyzed and the distribution function is shown to depend on the electron energy shift in a magnetic field. The position of the 'bottleneck' of the distribution function has been found to be shifted toward negative energies with increasing magnetic field. The electron velocity autocorrelators as a function of the magnetic field have been calculated; their behavior suggests that the frequency of collisions between charged particles decreases significantly with increasing magnetic field. The collisional recombination coefficient {alpha}{sub B} has been calculated in the diffusion approximation for a weakly coupled ultracold plasma in a magnetic field. An increase in magnetic field is shown to lead to a decrease in {alpha}{sub B} and this decrease can be several orders of magnitude.

  19. Determination of aragonite trace element distribution coefficients from speleothem calcite-aragonite transitions

    NASA Astrophysics Data System (ADS)

    Wassenburg, J. A.; Scholz, D.; Jochum, K. P.; Cheng, H.; Oster, J.; Immenhauser, A.; Richter, D. K.; Häger, T.; Jamieson, R. A.; Baldini, J. U. L.; Hoffmann, D.; Breitenbach, S. F. M.

    2016-10-01

    The processes that govern the incorporation of (trace) elements into speleothems can often be linked to environmental changes. Although element incorporation into speleothem calcite is now reasonably well understood, current knowledge regarding trace element variability in speleothem aragonite is very limited. Of particular interest is whether trace element distribution coefficients are above or below one in order to assess the extent to which prior aragonite precipitation has affected speleothem aragonite trace element records. This study uses nine calcite-to-aragonite transitions in seven speleothems from diverse environmental settings to derive the first quantitative estimates of the distribution coefficients for several elements in speleothem aragonite: DMg(Ar) = 9.7E-5 ± 9.01E-5, DBa(Ar) = 0.91 ± 0.88, DSr(Ar) = 1.38 ± 0.53, and DU(Ar) = 6.26 ± 4.54 (1σ SD). For one speleothem from western Germany, the distribution coefficients are generally higher, which is potentially related to the very low growth rates (<11 μm/year) of this sample. In particular, DSr(Ar) appears to show a negative correlation with growth rate when growth rate is below 20 μm/year. In summary, our results demonstrate that speleothem aragonite DMg(Ar) is below one, DU(Ar) is considerably above one, and DSr(Ar) is above one or close to unity. For DBa(Ar), reaching a similar conclusion is difficult due to the relatively high uncertainty. Enhanced prior aragonite precipitation will thus result in lower U and higher Mg concentrations in speleothem aragonite, although in many cases Mg in speleothem aragonite is most likely dominated by other processes. This result suggests that U concentrations in aragonitic stalagmites could serve as a very effective proxy for palaeo-rainfall.

  20. Application of ALOGPS 2.1 to predict log D distribution coefficient for Pfizer proprietary compounds.

    PubMed

    Tetko, Igor V; Poda, Gennadiy I

    2004-11-01

    Evaluation of the ALOGPS, ACD Labs LogD, and PALLAS PrologD suites to calculate the log D distribution coefficient resulted in high root-mean-squared error (RMSE) of 1.0-1.5 log for two in-house Pfizer's log D data sets of 17,861 and 640 compounds. Inaccuracy in log P prediction was the limiting factor for the overall log D estimation by these algorithms. The self-learning feature of the ALOGPS (LIBRARY mode) remarkably improved the accuracy in log D prediction, and an rmse of 0.64-0.65 was calculated for both data sets.

  1. Adsorption on heterogeneous surfaces: site energy distribution functions from Fritz-Schlüender isotherms.

    PubMed

    Kumar, Kannuchamy Vasanth; Monteiro de Castro, Mateus Carvalho; Martinez-Escandell, Manuel; Molina-Sabio, Miguel; Rodriguez-Reinoso, Francisco

    2010-08-23

    Different site energy distribution functions based on the condensation approximation method are proposed for the liquid-phase or gas-phase adsorption equilibrium data following the Fritz-Schlüender isotherm. Energy distribution functions for the four limiting cases of the Fritz-Schlüender isotherm are also discussed. The proposed models are successfully applied to the experimental equilibrium data of nitrogen molecules at 77 K on a pitch-based activated carbon (PA) and a pitch-based activated carbon containing boron (PBA). An energy distribution function based on FS isotherm containing five parameters suggest a unimodal distribution of binding sites for carbon PA, the binding site energies being distributed as exponential or unimodal, depending on the pressure, in the case of carbon PBA. The advantages of the proposed models are discussed.

  2. Geographical distribution of radiotherapy resources in Japan: investigating the inequitable distribution of human resources by using the Gini coefficient.

    PubMed

    Tanikawa, Takumi; Ohba, Hisateru; Ogasawara, Katsuhiko; Okuda, Yasuo; Ando, Yutaka

    2012-01-01

    This is a pilot study that aims to elucidate regional disparities in the distribution of medical resources in Japan. For this purpose, we employed the Gini coefficient (GC) in order to analyze the distribution of radiotherapy resources, which are allocated to each prefecture in Japan depending on the size of its population or physical area. Our study used data obtained from the 2005 and 2007 national surveys on the structure of radiation oncology in Japan, conducted by the Japanese Society for Therapeutic Radiology and Oncology (JASTRO). Our analysis showed that the regional disparities regarding the radiation oncologists and radiotherapy technologists were small, and concluded that such resources were almost equitably distributed. However, medical physicists are inequitably distributed. Thus, policymakers should create and implement measures to train and retain medical physicists in areas with limited radiotherapy resources. Further, almost 26% of the secondary medical service areas lacked radiotherapy institutions. We attribute this observation to the existence of tertiary medical service areas, and almost all of prefectures face a shortage of such resources. Therefore, patients' accessibility to these resources in such areas should be improved.

  3. A Study of the Distribution of Sample Coefficient Alpha with the Hopkins Symptom Checklist: Bootstrap versus Asymptotics.

    ERIC Educational Resources Information Center

    Yuan, Ke-Hai; Guarnaccia, Charles A.; Hayslip, Bert, Jr.

    2003-01-01

    Studied the sample coefficient alpha for each of the five subscales of the Hopkins Symptom Checklist (HSL; L. Derogaitis and others, 1974) in a sample of 419 adults. Findings show that the normal-theory-based distribution has a systematic bias in describing the behavior of the sample coefficient alpha. (SLD)

  4. Calculating Formulas of Coefficient and Mean Neutron Exposure in the Exponential Expression of Neutron Exposure Distribution

    NASA Astrophysics Data System (ADS)

    Zhang, F. H.; Zhou, G. D.; Ma, K.; Ma, W. J.; Cui, W. Y.; Zhang, B.

    2015-11-01

    Present studies have shown that, in the main stages of the development and evolution of asymptotic giant branch (AGB) star s-process models, the distributions of neutron exposures in the nucleosynthesis regions can all be expressed by an exponential function ({ρ_{AGB}}(τ) = C/{τ_0}exp ( - τ/{τ_0})) in the effective range of values. However, the specific expressions of the proportional coefficient C and the mean neutron exposure ({τ_0}) in the formula for different models are not completely determined in the related literatures. Through dissecting the basic solving method of the exponential distribution of neutron exposures, and systematically combing the solution procedure of exposure distribution for different stellar models, the general calculating formulas as well as their auxiliary equations for calculating C and ({τ_0}) are reduced. Given the discrete distribution of neutron exposures ({P_k}), i.e. the mass ratio of the materials which have exposed to neutrons for (k) ((k = 0, 1, 2 \\cdots )) times when reaching the final distribution with respect to the materials of the He intershell, (C = - {P_1}/ln R), and ({τ_0} = - Δ τ /ln R) can be obtained. Here, (R) expresses the probability that the materials can successively experience neutron irradiation for two times in the He intershell. For the convective nucleosynthesis model (including the Ulrich model and the ({}^{13}{C})-pocket convective burning model), (R) is just the overlap factor r, namely the mass ratio of the materials which can undergo two successive thermal pulses in the He intershell. And for the (^{13}{C})-pocket radiative burning model, (R = sumlimits_{k = 1}^∞ {{P_k}} ). This set of formulas practically give the corresponding relationship between C or ({τ_0}) and the model parameters. The results of this study effectively solve the problem of analytically calculating the distribution of neutron exposures in the low-mass AGB star s-process nucleosynthesis model of (^{13}{C

  5. Multiscale characterization of pore size distributions using mercury porosimetry and nitrogen adsorption

    NASA Astrophysics Data System (ADS)

    Paz-Ferreiro, J.; Tarquis, A. M.; Miranda, J. G. V.; Vidal Vázquez, E.

    2009-04-01

    The soil pore space is a continuum extremely variable in size, including structures smaller than nanometres and as large as macropores or cracks with millimetres or even centimetres size. Pore size distributions (PSDs) affects important soil functions, such as those related with transmission and storage of water, and root growth. Direct and indirect measurements of PSDs are becoming increasingly used to characterize soil structure. Mercury injection porosimetry and nitrogen adsorption isotherms are techniques commonly employed for assessing equivalent pore size diameters in the range from about 50 nm to 100 m and 2 to 500 nm, respectively. The multifractal formalism was used to describe Hg injection curves and N2 adsorption isotherms from two series of a Mollisol cultivated under no tillage and minimum tillage. Soil samples were taken from 0-10, 10-20 and 20-30 cm depths in two experimental fields located in the north of Buenos Aires and South of Santa Fe provinces, Argentina. All the data sets analyzed from the two studied soil attributes showed remarkably good scaling trends as assessed by singularity spectrum and generalized dimension spectrum. Both, experimental Hg injection curves and N2 adsorption isotherms could be fitted reasonably well with multifractal models. A wide variety of singularity and generalized dimension spectra was found for the variables. The capacity dimensions, D0, for both Hg injection and N2 adsorption data were not significantly different from the Euclidean dimension. However, the entropy dimension, D1, and correlation dimension, D2, obtained from mercury injection and nitrogen adsorption data showed significant differences. So, D1 values were on average 0.868 and varied from 0.787 to 0.925 for Hg intrusion curves. Entropy dimension, D1, values for N2 adsorption isotherms were on average 0.582 significantly lower than those obtained when using the former technique. Twenty-three out of twenty-four N2 isotherms had D1 values in a

  6. Quantitatively modeling soil-water distribution coefficients of three antibiotics using soil physicochemical properties.

    PubMed

    Gong, Wenwen; Liu, Xinhui; He, Hui; Wang, Liang; Dai, Guohua

    2012-10-01

    Using 14 parameters featuring soil physicochemical properties and the partial least squares (PLSs) regression method, three quantitative models were respectively developed for the soil-water distribution coefficients (logK(d)) of oxytetracycline (OTC), sulfamethazine (SMZ) and norfloxacin (NOR) in 23 Chinese natural soil samples from cultivated lands in 19 provinces of China. The cross-validated correlation coefficients (Q(cum)(2)) of three models are 0.866, 0.765 and 0.868, and the standard deviations (SDs) are 0.16, 0.21 and 0.15 respectively. The high Q(cum)(2) and low SD values indicate that three models have high robustness and precise predictability. Six parameters including pH, clay content, free Fe oxides (DCB-Fe), free Al oxides (DCB-Al), Ca content and Al content are greatly significant in the OTC model, three ones including pH, clay content and DCB-Fe are greatly significant in the SMZ model, and five ones including pH, clay content, DCB-Fe, Ca content and organic matter (OM) are greatly significant in the NOR model. The high VIP values of pH (1.17-1.24), clay content (0.81-1.10) and DCB-Fe (0.90-0.99) show that the three sorts of soil physicochemical properties play dominant roles in governing the partition balance between soil and water of three antibiotics.

  7. QSAR OF DISTRIBUTION COEFFICIENTS FOR PU (NO3)062-COMPLEXES USING MOLECULAR MECHANICS

    SciTech Connect

    M. BARR; G. JARVINEN; E. MOODY

    2000-08-01

    Computer-aided modeling has been very successful in the design of chelating ligands for the formation of selective metal complexes. We report herein preliminary efforts to extend the principles developed for ion-specific chelating ligands to the weaker, more diffuse electrostatic interactions between complex anions and dicationic sites of anion-exchange resins. Calculated electrostatic affinity between plutonium (IV) hexanitrato dianions and analogue of dicationic anion-exchange sites correlate well with empirically-determined distribution coefficients. This Quantitative Structure Activity Relationship (QSAR) is useful in the determination of the overall trend within a select series of bifunctional resins and which structural modifications are most likely to be advantageous. Ultimately, we hope to refine this methodology to allow the a priori determination of ion-exchange behavior for abroad class of materials.

  8. Solvent Extraction Batch Distribution Coefficients with Savannah River Site Dissolved Salt Cake

    SciTech Connect

    Walker, D.D.

    2002-03-07

    Researchers characterized high-level waste derived from dissolved salt cake from the Savannah River Site (SRS) tank farm and measured the cesium distribution coefficients (DCs) for extraction, scrub, and stripping steps of the caustic-side solvent extraction (CSSX) flowsheet. The measurements used two SRS high-level waste samples derived entirely or in part from salt cake. The chemical compositions of both samples are reported. Dissolved salt cake waste contained less Cs-137 and more dianions than is typical of supernate samples. Extraction and scrub DCs values for both samples exceeded process requirements and agreed well with model predictions. Strip DCs values for the Tank 46F sample also met process requirements. However, strip DCs values could not be calculated for the Tank 38H sample due to the poor material balance for Cs-137. Potential explanations for the poor material balance are discussed and additional work to determine the cause is described.

  9. Solvent Extraction Batch Distribution Coefficients with Savannah River Site Dissolved Salt Cake

    SciTech Connect

    Walker, D.D.

    2002-05-22

    Researchers characterized high-level waste derived from dissolved salt cake from the Savannah River Site (SRS) tank farm and measured the cesium distribution coefficients (DCs) for extraction, scrub, and stripping steps of the caustic-side solvent extraction (CSSX) flowsheet. The measurements used two SRS high-level waste samples derived entirely or in part from salt cake. The chemical compositions of both samples are reported. Dissolved salt cake waste contained less Cs-137 and more dianions than is typical of supernate samples. Extraction, scrub, and strip DCs values for both samples exceeded process requirements and agreed well with model predictions. The results indicate no significant problems processing dissolved salt cake compared to supernate. During the course of testing, researchers observed sorption of cesium on glass sample vials containing strip solutions. The problem was detected in the material balance calculated for each organic/aqueous contact. Methods and recommendations for avoiding this problem are discussed.

  10. Statistical physics studies of multilayer adsorption isotherm in food materials and pore size distribution

    NASA Astrophysics Data System (ADS)

    Aouaini, F.; Knani, S.; Ben Yahia, M.; Ben Lamine, A.

    2015-08-01

    Water sorption isotherms of foodstuffs are very important in different areas of food science engineering such as for design, modeling and optimization of many processes. The equilibrium moisture content is an important parameter in models used to predict changes in the moisture content of a product during storage. A formulation of multilayer model with two energy levels was based on statistical physics and theoretical considerations. Thanks to the grand canonical ensemble in statistical physics. Some physicochemical parameters related to the adsorption process were introduced in the analytical model expression. The data tabulated in literature of water adsorption at different temperatures on: chickpea seeds, lentil seeds, potato and on green peppers were described applying the most popular models applied in food science. We also extend the study to the newest proposed model. It is concluded that among studied models the proposed model seems to be the best for description of data in the whole range of relative humidity. By using our model, we were able to determine the thermodynamic functions. The measurement of desorption isotherms, in particular a gas over a solid porous, allows access to the distribution of pore size PSD.

  11. Optimised method to estimate octanol water distribution coefficient (logD) in a high throughput format.

    PubMed

    Low, Ying Wei Ivan; Blasco, Francesca; Vachaspati, Prakash

    2016-09-20

    Lipophilicity is one of the molecular properties assessed in early drug discovery. Direct measurement of the octanol-water distribution coefficient (logD) requires an analytical method with a large dynamic range or multistep dilutions, as the analyte's concentrations span across several orders of magnitude. In addition, water/buffer and octanol phases which have very different polarity could lead to matrix effects and affect the LC-MS response, leading to erroneous logD values. Most compound libraries use DMSO stocks as it greatly reduces the sample requirement but the presence of DMSO has been shown to underestimate the lipophilicity of the analyte. The present work describes the development of an optimised shake flask logD method using deepwell 96 well plate that addresses the issues related to matrix effects, DMSO concentration and incubation conditions and is also amenable to high throughput. Our results indicate that the equilibrium can be achieved within 30min by flipping the plate on its side while even 0.5% of DMSO is not tolerated in the assay. This study uses the matched matrix concept to minimise the errors in analysing the two phases namely buffer and octanol in LC-MS. PMID:27373604

  12. Determination of variables in the prediction of strontium distribution coefficients for selected sediments

    USGS Publications Warehouse

    Pace, M.N.; Rosentreter, J.J.; Bartholomay, R.C.

    2001-01-01

    Idaho State University and the US Geological Survey, in cooperation with the US Department of Energy, conducted a study to determine and evaluate strontium distribution coefficients (Kds) of subsurface materials at the Idaho National Engineering and Environmental Laboratory (INEEL). The Kds were determined to aid in assessing the variability of strontium Kds and their effects on chemical transport of strontium-90 in the Snake River Plain aquifer system. Data from batch experiments done to determine strontium Kds of five sediment-infill samples and six standard reference material samples were analyzed by using multiple linear regression analysis and the stepwise variable-selection method in the statistical program, Statistical Product and Service Solutions, to derive an equation of variables that can be used to predict strontium Kds of sediment-infill samples. The sediment-infill samples were from basalt vesicles and fractures from a selected core at the INEEL; strontium Kds ranged from ???201 to 356 ml g-1. The standard material samples consisted of clay minerals and calcite. The statistical analyses of the batch-experiment results showed that the amount of strontium in the initial solution, the amount of manganese oxide in the sample material, and the amount of potassium in the initial solution are the most important variables in predicting strontium Kds of sediment-infill samples.

  13. Strontium Distribution Coefficients of Basalt Core Samples from the Idaho National Engineering and Environmental Laboratory, Idaho

    SciTech Connect

    J. J. Colello; J. J. Rosentreter; R. C. Bartholomay; M. J. Liszewski

    1998-12-01

    Strontium distribution coefficients (Kd's) were measured for 24 basalt core samples collected from selected sites at the Idaho National Engineering and Environmental Laboratory (INEEL). The measurements were made to help assess the variability of strontium Kd's as part of an ongoing investigation of strontium transport properties through geologic materials at the INEEL. The investigation is being conducted by the U.S. Geological Survey and Idaho State University in cooperation with the U.S. Department of Energy. Batch experiments were used to measure Kd's of basalt core samples using an aqueous solution representative of wastewater in waste-disposal ponds at the INEEL. Calculated strontium Kd's of the 24 basalt core samples ranged from 3.6{+-}1.3 to 29.4{+-}1.6 milliliters per gram. These results indicate a narrow range of variability in the strontium sorptive capacities of basalt relative to those of the sedimentary materials at the INEEL. The narrow range of the basalt Kd's can be attributed to physical and chemical properties of the basalt, and to compositional changes in the equilibrated solutions after being mixed with the basalt. The small Kd's indicate that basalt is not a major contributor in preventing the movement of strontium-90 in solution.

  14. INVESTIGATION OF BASALT-RADIONUCLIDE DISTRIBUTION COEFFICIENTS: FISCAL YEAR 1980 ANNUAL REPORT

    SciTech Connect

    Ames, L. L.; McGarrah, J. E.

    1980-12-01

    The Basalt Waste Isolation Project (Rockwell Hanford Operations) is conducting a safety assessment of nuclear waste storage in a repository on the Hanford Site. Pacific Northwest Laboratory, in support of the assessment effort, is generating radionuclide distribution coefficient data between simulated groundwaters and basalts and their secondary mineral products under the range of physicochemical conditions expected in a repository in basalt. Experimental radionuclide distribution coefficients were determined for crushed Pomona, Flow E, and Umtanum basalts at 23°, 60°, 150°, and 300°C at both normal oxygen partial pressure (~0.2 atm) and lower oxygen partial pressure (~10{sup -7} atm), using a static technique. Little or no changes in distribution coefficients were noted for selenium, uranium, technetium, neptunium, or plutonium over the oxygen partial pressure range noted above. Sodium dithionite and hydrazine are now under study as system additives to lower Eh to -0.3 to -0.5 V, the conditions expected to prevail in the closed repository in basalt. Radium, strontium, cesium, and americium are not expected to change oxidation states under repository conditions, while iodine remains an anion in either oxidation state. Lowering the system Eh to the -0.3 to -0.5 V expected in a repository in basalt should result in an oxidation state change and enhanced removal from solution for selenium, uranium, technetium, neptunium, and plutonium. Sorption of iodine was not affected by the Eh changes. Temperature change effects on most radionuclide distribution coefficient (Kd) values over the 23° to 300°C range were major with the exception of iodine and technetium, neither of which were appreciably sorbed at normal to ~10{sup -7} atm oxygen partial pressure. Uranium Kd values increased with an increase in temperature. In addition, uranium Kd values at 23°C decrease by an order of magnitude in response to added CO{sub 3}{sup 2-} in the solution. Cesium basalt Kd values

  15. Measurements of Pressure Distributions and Force Coefficients in a Squeeze Film Damper. Part 1: Fully Open Ended Configuration

    NASA Technical Reports Server (NTRS)

    Jung, S. Y.; Sanandres, Luis A.; Vance, J. M.

    1991-01-01

    Measurements of pressure distributions and force coefficients were carried out in two types of squeeze film dampers, executing a circular centered orbit, an open-ended configuration, and a partially sealed one, in order to investigate the effect of fluid inertia and cavitation on pressure distributions and force coefficients. Dynamic pressure measurements were carried out for two orbit radii, epsilon 0.5 and 0.8. It was found that the partially sealed configuration was less influenced by fluid inertia than the open ended configuration.

  16. Evaluation of diffusion coefficients by means of an approximate steady-state condition in sedimentation velocity distributions.

    PubMed

    Scott, David J; Harding, Stephen E; Winzor, Donald J

    2015-12-01

    This investigation examined the feasibility of manipulating the rotor speed in sedimentation velocity experiments to spontaneously generate an approximate steady-state condition where the extent of diffusional spreading is matched exactly by the boundary sharpening arising from negative s-c dependence. Simulated sedimentation velocity distributions based on the sedimentation characteristics for a purified mucin preparation were used to illustrate a simple procedure for determining the diffusion coefficient from such steady-state distributions in situations where the concentration dependence of the sedimentation coefficient, s = s(0)/(1 + Kc), was quantified in terms of the limiting sedimentation coefficient as c → 0 (s(0)) and the concentration coefficient (K). Those simulations established that spontaneous generation of the approximate steady state could well be a feature of sedimentation velocity distributions for many unstructured polymer systems because the requirement that Kcoω(2)s(0)/D be between 46 and 183 cm(-2) is not unduly restrictive. Although spontaneous generation of the approximate steady state is also a theoretical prediction for structured macromolecular solutes exhibiting linear concentration dependence of the sedimentation coefficient, s = s(0)(1 - kc), the required value of k is far too large for any practical advantage to be taken of this approach with globular proteins. PMID:26321223

  17. Inter-relationships between solubilities, distribution coefficients and melting points of some substituted benzoic and phenylacetic acids.

    PubMed

    Armstrong, N A; James, K C; Wong, C K

    1979-09-01

    Ten 4-hydroxy and 4-alkoxy benzoic and phenylalkanoic acids have been investigated. Solubilities in aqueous buffer at pH 1.2 were determined, together with distribution coefficients between the buffer and either octanol or isopropyl myristate. When plotted against the total number of carbon atoms in the side chains, log octanol/water distribution coefficients gave two parallel straight lines, one for the substituted benzoic acids, and the other for the substituted phenylalkanoic acids. The slopes approximated to 0.5, the generally accepted value for methylene. Similar plots could be obtained with isopropyl myristate, provided the hydroxy acid results were ignored, and also when log aqueous solubilities were plotted against carbon number, although there was considerable scatter. The differences between the distribution coefficient results were explained in terms of solute-solvent interactions, and the scatter attributed to variations in the heats of fusion of the solutes. Yalkowsky's equation (1977), linking aqueous solubilities and melting points with distribution coefficients, was applied to the results, and found to be of limited predictive value. PMID:41067

  18. Ion chamber absorbed dose calibration coefficients, N{sub D,w}, measured at ADCLs: Distribution analysis and stability

    SciTech Connect

    Muir, B. R.

    2015-04-15

    Purpose: To analyze absorbed dose calibration coefficients, N{sub D,w}, measured at accredited dosimetry calibration laboratories (ADCLs) for client ionization chambers to study (i) variability among N{sub D,w} coefficients for chambers of the same type calibrated at each ADCL to investigate ion chamber volume fluctuations and chamber manufacturing tolerances; (ii) equivalency of ion chamber calibration coefficients measured at different ADCLs by intercomparing N{sub D,w} coefficients for chambers of the same type; and (iii) the long-term stability of N{sub D,w} coefficients for different chamber types by investigating repeated chamber calibrations. Methods: Large samples of N{sub D,w} coefficients for several chamber types measured over the time period between 1998 and 2014 were obtained from the three ADCLs operating in the United States. These are analyzed using various graphical and numerical statistical tests for the four chamber types with the largest samples of calibration coefficients to investigate (i) and (ii) above. Ratios of calibration coefficients for the same chamber, typically obtained two years apart, are calculated to investigate (iii) above and chambers with standard deviations of old/new ratios less than 0.3% meet stability requirements for accurate reference dosimetry recommended in dosimetry protocols. Results: It is found that N{sub D,w} coefficients for a given chamber type compared among different ADCLs may arise from differing probability distributions potentially due to slight differences in calibration procedures and/or the transfer of the primary standard. However, average N{sub D,w} coefficients from different ADCLs for given chamber types are very close with percent differences generally less than 0.2% for Farmer-type chambers and are well within reported uncertainties. Conclusions: The close agreement among calibrations performed at different ADCLs reaffirms the Calibration Laboratory Accreditation Subcommittee process of ensuring

  19. Competitive adsorption of heavy metals onto sesame straw biochar in aqueous solutions.

    PubMed

    Park, Jong-Hwan; Ok, Yong Sik; Kim, Seong-Heon; Cho, Ju-Sik; Heo, Jong-Soo; Delaune, Ronald D; Seo, Dong-Cheol

    2016-01-01

    Objective of this research was to evaluate adsorption of heavy metals in mono and multimetal forms onto sesame straw biochar (SSB). Competitive sorption of metals by SSB has never been reported previously. The maximum adsorption capacities (mgg(-1)) of metals by SSB were in the order of Pb (102)≫Cd (86)≫Cr (65)>Cu (55)≫Zn (34) in the monometal adsorption isotherm and Pb (88)≫Cu (40)≫Cr (21)>Zn (7)⩾Cd (5) in the multimetal adsorption isotherm. Based on data obtained from the distribution coefficients, Freundlich and Langmuir adsorption models, and three-dimensional simulation, multimetal adsorption behaviors differed from monometal adsorption due to competition. Especially, during multimetal adsorption, Cd was easily exchanged and substituted by other metals. Further competitive adsorption studies are necessary in order to accurately estimate the heavy metal adsorption capacity of biochar in natural environments.

  20. Comparing the Pearson and Spearman correlation coefficients across distributions and sample sizes: A tutorial using simulations and empirical data.

    PubMed

    de Winter, Joost C F; Gosling, Samuel D; Potter, Jeff

    2016-09-01

    The Pearson product-moment correlation coefficient () and the Spearman rank correlation coefficient () are widely used in psychological research. We compare and on 3 criteria: variability, bias with respect to the population value, and robustness to an outlier. Using simulations across low (N = 5) to high (N = 1,000) sample sizes we show that, for normally distributed variables, and have similar expected values but is more variable, especially when the correlation is strong. However, when the variables have high kurtosis, is more variable than . Next, we conducted a sampling study of a psychometric dataset featuring symmetrically distributed data with light tails, and of 2 Likert-type survey datasets, 1 with light-tailed and the other with heavy-tailed distributions. Consistent with the simulations, had lower variability than in the psychometric dataset. In the survey datasets with heavy-tailed variables in particular, had lower variability than , and often corresponded more accurately to the population Pearson correlation coefficient () than did. The simulations and the sampling studies showed that variability in terms of standard deviations can be reduced by about 20% by choosing instead of . In comparison, increasing the sample size by a factor of 2 results in a 41% reduction of the standard deviations of and . In conclusion, is suitable for light-tailed distributions, whereas is preferable when variables feature heavy-tailed distributions or when outliers are present, as is often the case in psychological research. (PsycINFO Database Record

  1. Re-analysis of narcotic critical body residue data using the equilibrium distribution concept and refined partition coefficients.

    PubMed

    Endo, Satoshi

    2016-08-10

    Narcosis occurs as a result of the accumulation of chemicals in the phospholipid membrane. The toxic threshold concentration in the membrane is thought to be relatively constant across different chemicals and species. Hence, estimating chemical concentrations in the membrane is expected to reduce the variability of narcotic critical body residue (CBR) data. In this study, a high quality CBR dataset for three aquatic species reported recently in the literature was evaluated with the internal equilibrium distribution concept. The raw wet-weight-based CBR values were converted to membrane-weight-based CBR values by assuming that the chemical is distributed in storage lipids, membranes, proteins, and water according to the respective equilibrium partition coefficients. Several sets of partition coefficients were compared for this analysis. The results were consistent with the notion that the use of a structural protein instead of serum albumin as a surrogate for the body protein fraction could reduce the variability of CBRs. Partition coefficients predicted by polyparameter linear free energy relationships (PP-LFERs) reduced the variability of CBRs as much as or even more than experimental partition coefficients did. It is suggested that CBR data for chemicals with larger structural diversity and biological species with more distinct compositions are needed to evaluate further the equilibrium distribution concept and the constant membrane threshold hypothesis.

  2. Vertical distribution of near-ground aerosol backscattering coefficient measured by a CCD side-scattering lidar

    NASA Astrophysics Data System (ADS)

    Tao, Zongming; Liu, Dong; Ma, Xiaomin; Shi, Bo; Shan, Huihui; Zhao, Ming; Xie, Chenbo; Wang, Yingjian

    2015-09-01

    The near-ground aerosols have the most impact on the human beings. Its fine spatial and temporal distribution, with which the environmental and meteorological departments concern themselves most, has not been elaborated very well due to the unavailable measurement tools. We present the continuous observations of the vertical profile of near-ground aerosol backscattering coefficients by employing our self-developed side-scattering lidar system based on charge-coupled device camera. During the experimental period from April 2013 to August 2014, four catalogs of aerosol backscattering coefficient profiles are found in the near ground. The continuous measurement is revealed by the contour plots measured during the whole night. These experimental results indicate that the aerosol backscattering coefficients in near ground are inhomogeneous and vary with altitude and time, which are very useful for the model researchers to study the regional air pollution and its climate impact.

  3. Plutonium partitioning in three-phase systems with water, colloidal particles, and granites: new insights into distribution coefficients.

    PubMed

    Xie, Jinchuan; Lin, Jianfeng; Zhou, Xiaohua; Li, Mei; Zhou, Guoqing

    2014-03-01

    The traditional sorption experiments commonly treated the colloid-associated species of low-solubility contaminants as immobile species resulted from the centrifugation or ultrafiltration, and then solid/liquid distribution coefficients (Ks/d) were determined. This may lead to significantly underestimated mobility of the actinides in subsurface environments. Accordingly, we defined a new distribution coefficient (Ks/d+c) to more adequately describe the mobile characteristics of colloidal species. The results show that under alkaline aqueous conditions the traditional Ks/d was 2-3 orders of magnitude larger than the Ks/d+c involving the colloidal species of (239)Pu. The colloid/liquid distribution coefficients Kc/d≫0 (∼10(6)mL/g) revealed strong competition of the colloidal granite particles with the granite grains for Pu. The distribution percentages of Pu in the three-phase systems, depending on various conditions such as particle concentrations, Na(+) concentrations, pH and time, were determined. Moreover, we developed the thermodynamic and kinetic complexation models to explore the interaction of Pu with the particle surfaces. PMID:24280054

  4. Plutonium partitioning in three-phase systems with water, colloidal particles, and granites: new insights into distribution coefficients.

    PubMed

    Xie, Jinchuan; Lin, Jianfeng; Zhou, Xiaohua; Li, Mei; Zhou, Guoqing

    2014-03-01

    The traditional sorption experiments commonly treated the colloid-associated species of low-solubility contaminants as immobile species resulted from the centrifugation or ultrafiltration, and then solid/liquid distribution coefficients (Ks/d) were determined. This may lead to significantly underestimated mobility of the actinides in subsurface environments. Accordingly, we defined a new distribution coefficient (Ks/d+c) to more adequately describe the mobile characteristics of colloidal species. The results show that under alkaline aqueous conditions the traditional Ks/d was 2-3 orders of magnitude larger than the Ks/d+c involving the colloidal species of (239)Pu. The colloid/liquid distribution coefficients Kc/d≫0 (∼10(6)mL/g) revealed strong competition of the colloidal granite particles with the granite grains for Pu. The distribution percentages of Pu in the three-phase systems, depending on various conditions such as particle concentrations, Na(+) concentrations, pH and time, were determined. Moreover, we developed the thermodynamic and kinetic complexation models to explore the interaction of Pu with the particle surfaces.

  5. Estimation of the Gini coefficient for the lognormal distribution of income using the Lorenz curve.

    PubMed

    Darkwah, Kwasi A; Nortey, Ezekiel N N; Lotsi, Anani

    2016-01-01

    The main objective of the study is to compare the Newton-Cotes methods such as the Trapezium rule, Simpson 1/3 rule and Simpson 3/8 rule to estimate the area under the Lorenz curve and Gini coefficient of income using polynomial function with degree 5. Comparing the Gini coefficients of income computed from the Polynomial function with degree 5 for the Trapezium, Simpson 1/3 and Simpson 3/8 methods using the relative errors showed that the trapezium rule, Simpson's 1/3 rule and Simpson's 3/8 rule show negative biases with the Simpson 1/3 rule yielding the lowest absolute relative true error of 4.230711 %. PMID:27516934

  6. A Performance Comparison on the Probability Plot Correlation Coefficient Test using Several Plotting Positions for GEV Distribution.

    NASA Astrophysics Data System (ADS)

    Ahn, Hyunjun; Jung, Younghun; Om, Ju-Seong; Heo, Jun-Haeng

    2014-05-01

    It is very important to select the probability distribution in Statistical hydrology. Goodness of fit test is a statistical method that selects an appropriate probability model for a given data. The probability plot correlation coefficient (PPCC) test as one of the goodness of fit tests was originally developed for normal distribution. Since then, this test has been widely applied to other probability models. The PPCC test is known as one of the best goodness of fit test because it shows higher rejection powers among them. In this study, we focus on the PPCC tests for the GEV distribution which is widely used in the world. For the GEV model, several plotting position formulas are suggested. However, the PPCC statistics are derived only for the plotting position formulas (Goel and De, In-na and Nguyen, and Kim et al.) in which the skewness coefficient (or shape parameter) are included. And then the regression equations are derived as a function of the shape parameter and sample size for a given significance level. In addition, the rejection powers of these formulas are compared using Monte-Carlo simulation. Keywords: Goodness-of-fit test, Probability plot correlation coefficient test, Plotting position, Monte-Carlo Simulation ACKNOWLEDGEMENTS This research was supported by a grant 'Establishing Active Disaster Management System of Flood Control Structures by using 3D BIM Technique' [NEMA-12-NH-57] from the Natural Hazard Mitigation Research Group, National Emergency Management Agency of Korea.

  7. An analytical estimate of the coefficient for radial charged particle diffusion in Jupiter's magnetosphere using plasma radial distribution

    NASA Astrophysics Data System (ADS)

    Gubar, Yu. I.

    2015-11-01

    A radial profile of the plasma mass distribution in Jupiter's magnetosphere in the region beyond Io's orbit up to ˜15 Jupiter radii R J constructed according to the results of measurements on the Voyager 1 and Galileo spacecraft is used to determine the radial dependence and radial diffusion coefficient D LL . The initial profile is approximated by a function decreasing as L -5 ± 1. For this radial mass distribution, radial ion diffusion outside of Io's orbit caused by centrifugal forces is possible. An estimate of (1.2-6.7)10-11 L 6 ± 1 for D LL was obtained.

  8. UNDERSTANDING VARIATION IN PARTITION COEFFICIENT KD, VALUES, VOLUME III: AMERICIUM, ARSENIC, CURIUM, IODINE, NEPTUNIUM, RADIUM, AND TECHNETIUM

    EPA Science Inventory

    This report describes the conceptualization, measurement, and use of the partition (or distribution) coefficient, Kd, parameter, and the geochemical aqueous solution and sorbent properties that are most important in controlling adsorption/retardation behavior of selected contamin...

  9. Measurement and analysis of distribution coefficients in Fe-Ni alloys containing S and/or P. I - K sub Ni and K sub P

    NASA Technical Reports Server (NTRS)

    Sellamuthu, R.; Goldstein, J. I.

    1984-01-01

    The distribution coefficients of Ni and P in Fe-Ni-S-P alloys are determined using a plane front solidification technique. It is found that the distribution coefficient of Ni is altered only when both S and P are present as alloy constituents; the coefficient increases with S and P contents in the liquid alloy and varies from 0.9 to 1.30. The behavior of the distribution coefficient of P is determined by the S/P ratio in the liquid; the coefficient increases with the S/P ratio and varies from 0.25 to 5.8. Expressions are presented which relate the distribution coefficients of Ni and P to the S and P contents in the liquid.

  10. A comparison of experimental and theoretical results for leakage, pressure distribution, and rotordynamic coefficients for annular gas seals

    NASA Technical Reports Server (NTRS)

    Nicks, C. O.; Childs, D. W.

    1984-01-01

    The importance of seal behavior in rotordynamics is discussed and current annular seal theory is reviewed. A Nelson's analytical-computational method for determining rotordynamic coefficients for this type of compressible-flow seal is outlined. Various means for the experimental identification of the dynamic coefficients are given, and the method employed at the Texas A and M University (TAMU) test facility is explained. The TAMU test apparatus is described, and the test procedures are discussed. Experimental results, including leakage, entrance-loss coefficients, pressure distributions, and rotordynamic coefficients for a smooth and a honeycomb constant-clearance seal are presented and compared to theoretical results from Nelson's analysis. The results for both seals show little sensitivity to the running speed over the test range. Agreement between test results and theory for leakage through the seal is satisfactory. Test results for direct stiffness show a greater sensitivity to fluid pre-rotation than predicted. Results also indicate that the deliberately roughened surface of the honeycomb seal provides improved stability versus the smooth seal.

  11. DISTRIBUTION AND RANGE OF RADIONUCLIDE SORPTIOIN COEFFICIENTS IN A SAVANNAH RIVER SITE SUBSURFACE: STOCHASTIC MODELING CONSIDERATIONS - 10259

    SciTech Connect

    Kaplan, D.

    2010-01-04

    The uncertainty associated with the sorption coefficient, or K{sub d} value, is one of the key uncertainties in estimating risk associated with burying low-level nuclear waste in the subsurface. The objective of this study was to measure >648 K{sub d} values and provide a measure of the range and distribution (normal or log-normal) of radionuclide K{sub d} values appropriate for the E-Area disposal site, within the Savannah River Site, near Aiken South Carolina. The 95% confidence level for the mean K{sub d} was twice the mean in the Aquifer Zone (18-30.5 m depth), equal to the mean for the Upper Vadose Zone (3.3-10 m depth), and half the mean for the Lower Vadose Zone (3.3-18 m depth). The distribution of K{sub d} values was log normal in the Upper Vadose Zone and Aquifer Zone, and normal in the Lower Vadose Zone. To our knowledge, this is the first report of natural radionuclide K{sub d} variability in the literature. Using ranges and distribution coefficients that are specific to the hydrostratigraphic unit improved model accuracy and reduced model uncertainty. Unfortunately, extension of these conclusions to other sites is likely not appropriate given that each site has its own sources of hydrogeological variability. However, this study provides one of the first examples of the development stochastic ranges and distributions of K{sub d} values for a hydrological unit for stochastic modeling.

  12. Methods for Estimating Adsorbed Uranium(VI) and Distribution Coefficients of Contaminated Sediments

    USGS Publications Warehouse

    Kohler, M.; Curtis, G.P.; Meece, D.E.; Davis, J.A.

    2004-01-01

    Assessing the quantity of U(VI) that participates in sorption/desorption processes in a contaminated aquifer is an important task when investigating U migration behavior. U-contaminated aquifer sediments were obtained from 16 different locations at a former U mill tailings site at Naturita, CO (U.S.A.) and were extracted with an artificial groundwater, a high pH sodium bicarbonate solution, hydroxylamine hydrochloride solution, and concentrated nitric acid. With an isotopic exchange method, both a KD value for the specific experimental conditions as well as the total exchangeable mass of U(VI) was determined. Except for one sample, KD values determined by isotopic exchange with U-contaminated sediments that were in equilibrium with atmospheric CO2 agreed within a factor of 2 with KD values predicted from a nonelectrostatic surface complexation model (NEM) developed from U(VI) adsorption experiments with uncontaminated sediments. The labile fraction of U(VI) and U extracted by the bicarbonate solution were highly correlated (r2 = 0.997), with a slope of 0.96 ?? 0.01. The proximity of the slope to one suggests that both methods likely access the same reservoir of U(VI) associated with the sediments. The results indicate that the bicarbonate extraction method is useful for estimating the mass of labile U(VI) in sediments that do not contain U(IV). In-situ KD values calculated from the measured labile U(VI) and the dissolved U(VI) in the Naturita alluvial aquifer agreed within a factor of 3 with in-situ K D values predicted with the NEM and groundwater chemistry at each well.

  13. Pore Scale Heterogeneity in the Mineral Distribution, Surface Area and Adsorption in Porous Rocks

    NASA Astrophysics Data System (ADS)

    Lai, P. E. P.; Krevor, S. C.

    2014-12-01

    The impact of heterogeneity in chemical transport and reaction is not understood in continuum (Darcy/Fickian) models of reactive transport. This is manifested in well-known problems such as scale dependent dispersion and discrepancies in reaction rate observations made at laboratory and field scales [1]. Additionally, this is a source of uncertainty for carbon dioxide injection, which produces a reactive fluid-rock system particularly in carbonate rock reservoirs. A potential cause is the inability of the continuum approach to incorporate the impact of heterogeneity in pore-scale reaction rates. This results in part from pore-scale heterogeneities in surface area of reactive minerals [2, 3]. We use x-ray micro tomography to describe the non-normal 3-dimensional distribution of reactive surface area within a porous medium according to distinct mineral groups. Using in-house image processing techniques, thin sections, nitrogen BET surface area, backscattered electron imaging and energy dispersive spectroscopy, we compare the surface area of each mineral phase to those obtained from x-ray CT imagery. In all samples, there is little correlation between the reactive surface area fraction and the volumetric fraction of a mineral in a bulk rock. Berea sandstone was far less heterogeneous and has a characteristic pore size at which a surface area distribution may be used to quantify heterogeneity. In carbonates, heterogeneity is more complex and surface area must be characterized at multiple length scales for an accurate description of reactive transport. We combine the mineral specific surface area characterisation to dynamic tomography, imaging the flow of water and solutes, to observe flow dependent and mineral specific adsorption. The observations may contribute to the incorporation of experimentally based statistical descriptions of pore scale heterogeneity in reactive transport into upscaled models, moving it closer to predictive capabilities for field scale

  14. Effective ionization coefficients, limiting electric fields, and electron energy distributions in CF3I + CF4 + Ar ternary gas mixtures

    NASA Astrophysics Data System (ADS)

    Tezcan, S. S.; Dincer, M. S.; Bektas, S.

    2016-07-01

    This paper reports on the effective ionization coefficients, limiting electric fields, electron energy distribution functions, and mean energies in ternary mixtures of (Trifluoroiodomethane) CF3I + CF4 + Ar in the E/N range of 100-700 Td employing a two-term solution of the Boltzmann equation. In the ternary mixture, CF3I component is increased while the CF4 component is reduced accordingly and the 40% Ar component is kept constant. It is seen that the electronegativity of the mixture increases with increased CF3I content and effective ionization coefficients decrease while the limiting electric field values increase. Synergism in the mixture is also evaluated in percentage using the limiting electric field values obtained. Furthermore, it is possible to control the mean electron energy in the ternary mixture by changing the content of CF3I component.

  15. Unified method for the total pore volume and pore size distribution of hierarchical zeolites from argon adsorption and mercury intrusion.

    PubMed

    Kenvin, Jeffrey; Jagiello, Jacek; Mitchell, Sharon; Pérez-Ramírez, Javier

    2015-02-01

    A generalized approach to determine the complete distribution of macropores, mesopores, and micropores from argon adsorption and mercury porosimetry is developed and validated for advanced zeolite catalysts with hierarchically structured pore systems in powder and shaped forms. Rather than using a fragmented approach of simple overlays from individual techniques, a unified approach that utilizes a kernel constructed from model isotherms and model intrusion curves is used to calculate the complete pore size distribution and the total pore volume of the material. An added benefit of a single full-range pore size distribution is that the cumulative pore area and the area distribution are also obtained without the need for additional modeling. The resulting complete pore size distribution and the kernel accurately model both the adsorption isotherm and the mercury porosimetry. By bridging the data analysis of two primary characterization tools, this methodology fills an existing gap in the library of familiar methods for porosity assessment in the design of materials with multilevel porosity for novel technological applications.

  16. Determining the uniformity coefficient and water distribution characteristics of some sprinklers.

    PubMed

    Kara, Tekin; Ekmekci, Emine; Apan, Mehmet

    2008-01-15

    The basic aim of the sprinkler irrigation method, as in other irrigation methods, is to apply irrigation water as uniformly as possible to the root zone. The uniform distribution of the applied water in sprinkler irrigation depends on factors such as sprinkler type, number and size of nozzles, arrangement of sprinklers, working pressure and the speed and direction of the wind. Sprinkler and lateral spacing should be determined by also taking the speed and direction of the wind into consideration. The aim of this study was to determine the application limits and the curves of water distribution under different working pressures, spatial arrangement and nozzle diameters under field conditions of some irrigation sprinklers which are widely used in Turkey. The objective was to determine the most appropriate system arrangement by using a computer program called CATCH3D. Five sprinklers were tested in the experimental area of Ondokuz Mayis University Campus and their water distribution characteristics identified. The most suitable operating parameters for Bereket 3: 12 x 18 m, Bereket 2: 12 x 18 m, Egeyildiz 6 x 18m, Goktepe 6 x 12 m and for Atesler sprinkler 12 x 18 m arrangement type were determined. PMID:18817192

  17. Spatial Distribution of the Coefficient of Variation for the Paleo-Earthquakes in Japan

    NASA Astrophysics Data System (ADS)

    Nomura, S.; Ogata, Y.

    2015-12-01

    Renewal processes, point prccesses in which intervals between consecutive events are independently and identically distributed, are frequently used to describe this repeating earthquake mechanism and forecast the next earthquakes. However, one of the difficulties in applying recurrent earthquake models is the scarcity of the historical data. Most studied fault segments have few, or only one observed earthquake that often have poorly constrained historic and/or radiocarbon ages. The maximum likelihood estimate from such a small data set can have a large bias and error, which tends to yield high probability for the next event in a very short time span when the recurrence intervals have similar lengths. On the other hand, recurrence intervals at a fault depend on the long-term slip rate caused by the tectonic motion in average. In addition, recurrence times are also fluctuated by nearby earthquakes or fault activities which encourage or discourage surrounding seismicity. These factors have spatial trends due to the heterogeneity of tectonic motion and seismicity. Thus, this paper introduces a spatial structure on the key parameters of renewal processes for recurrent earthquakes and estimates it by using spatial statistics. Spatial variation of mean and variance parameters of recurrence times are estimated in Bayesian framework and the next earthquakes are forecasted by Bayesian predictive distributions. The proposal model is applied for recurrent earthquake catalog in Japan and its result is compared with the current forecast adopted by the Earthquake Research Committee of Japan.

  18. Determination of the solid-water distribution coefficient (Kd) for pharmaceuticals, estrogens and musk fragrances in digested sludge.

    PubMed

    Carballa, Marta; Fink, Guido; Omil, Francisco; Lema, Juan M; Ternes, Thomas

    2008-01-01

    This work determined the solid-water distribution coefficient (K(d)) and the organic carbon normalized distribution coefficient (K(oc)) of several pharmaceuticals (carbamazepine, ibuprofen, naproxen, diclofenac, iopromide, sulfamethoxazole and roxithromycin), three estrogens (estrone, 17beta-estradiol and 17alpha-ethinylestradiol) and two musk fragrances (HHCB and AHTN) in digested sludge. These sorption coefficients can be used to evaluate the fate of these substances during sludge treatment, thus avoiding the expensive and time-consuming analysis in the sludge phase. For determining the K(d) and K(oc) values of the target compounds in digested sludge, their concentrations were measured in the aqueous and solid phase of the effluent of an anaerobic digestion pilot plant run at several operational conditions. The results obtained were compared with the values modelled by using simple K(ow) approaches. The resulting log K(d) values ranged between 3.5 and 4.4 for the two musk fragrances (log K(oc) of 4.5-6.0), between 2.1 and 2.9 for estrogens (log K(oc) of 2.9-4.2) and between 0.8 and 1.9 for the remaining pharmaceuticals (log K(oc) of 1.8-3.5). These values are in the same range as those reported in the literature for primary and secondary sludge and no significant influence of the anaerobic digestion operational conditions was observed. For most compounds, the modelled K(oc) were close or within the lower range of the experimentally determined K(oc). Major deviations of the modelled K(oc) values were found for iopromide, sulfamethoxazole and roxithromycin, which were 1-3 orders of magnitude lower than the measured values.

  19. Arsenic Adsorption Equilibrium Concentration and Adsorption Rate of Activated Carbon Coated with Ferric-Aluminum Hydroxides

    NASA Astrophysics Data System (ADS)

    Zhang, M.; Sugita, H.; Oguma, T.; Hara, J.; Takahashi, S.

    2015-12-01

    In some areas of developing countries, ground or well water contaminated with arsenic has been reluctantly used as drinking water. It is highly desirable that effective and inexpensive arsenic removal agents should be developed and provided to reduce the potential health risk. Previous studies demonstrated that activated carbon coated with ferric-aluminum hydroxides (Fe-Al-C) has high adsorptive potential for removal of arsenic. In this study, a series of experiments using Fe-Al-C were carried to discuss adsorption equilibrium time, adsorption equilibrium concentration and adsorption rate of arsenic for Fe-Al-C. Fe-Al-C used in this study was provided by Astec Co., Ltd. Powder reagent of disodium hydrogen arsenate heptahydrate was dissolved into ion-exchanged water. The solution was then further diluted with ion-exchanged water to be 1 and 10 mg/L as arsenic concentration. The pH of the solution was adjusted to be around 7 by adding HCl and/or NaOH. The solution was used as artificial arsenic contaminated water in two types of experiments (arsenic adsorption equilibrium and arsenic adsorption rate tests). The results of the arsenic equilibrium tests were showed that a time period of about 3 days to reach apparent adsorption equilibrium for arsenic. The apparent adsorption equilibrium concentration and adsorbed amount of arsenic on Fe-Al-C adsorbent could be estimated by application of various adsorption isotherms, but the distribution coefficient of arsenic between solid and liquid varies with experimental conditions such as initial concentration of arsenic and addition concentration of adsorbent. An adsorption rate equation that takes into account the reduction in the number of effective adsorption sites on the adsorbent caused by the arsenic adsorption reaction was derived based on the data obtained from the arsenic adsorption rate tests.

  20. Determination of spatially-resolved porosity, tracer distributions and diffusion coefficients in porous media using MRI measurements and numerical simulations.

    PubMed

    Marica, Florea; Jofré, Sergio Andrés Bea; Mayer, K Ulrich; Balcom, Bruce J; Al, Tom A

    2011-07-01

    This work is focused on measuring the concentration distribution of a conservative tracer in a homogeneous synthetic porous material and in heterogeneous natural sandstone using MRI techniques, and on the use of spatially resolved porosity data to define spatially variable diffusion coefficients in heterogeneous media. The measurements are made by employing SPRITE, a fast MRI method that yields quantitative, spatially-resolved tracer concentrations in porous media. Diffusion experiments involving the migration of H(2)O into D(2)O-saturated porous media are conducted. One-dimensional spatial distributions of H(2)O-tracer concentrations acquired from experiments with the homogeneous synthetic calcium silicate are fitted with the one-dimensional analytical solution of Fick's second law to confirm that the experimental method provides results that are consistent with expectations for Fickian diffusion in porous media. The MRI-measured concentration profiles match well with the solution for Fick's second law and provide a pore-water diffusion coefficient of 1.75×10(-9)m(2)s(-1). The experimental approach was then extended to evaluate diffusion in a heterogeneous natural sandstone in three dimensions. The relatively high hydraulic conductivity of the sandstone, and the contrast in fluid density between the H(2)O tracer and the D(2)O pore fluid, lead to solute transport by a combination of diffusion and density-driven advection. The MRI measurements of spatially distributed tracer concentration, combined with numerical simulations allow for the identification of the respective influences of advection and diffusion. The experimental data are interpreted with the aid of MIN3P-D - a multicomponent reactive transport code that includes the coupled processes of diffusion and density-driven advection. The model defines local diffusion coefficients as a function of spatially resolved porosity measurements. The D(e) values calculated for the heterogeneous sandstone and used to

  1. Determination of spatially-resolved porosity, tracer distributions and diffusion coefficients in porous media using MRI measurements and numerical simulations.

    PubMed

    Marica, Florea; Jofré, Sergio Andrés Bea; Mayer, K Ulrich; Balcom, Bruce J; Al, Tom A

    2011-07-01

    This work is focused on measuring the concentration distribution of a conservative tracer in a homogeneous synthetic porous material and in heterogeneous natural sandstone using MRI techniques, and on the use of spatially resolved porosity data to define spatially variable diffusion coefficients in heterogeneous media. The measurements are made by employing SPRITE, a fast MRI method that yields quantitative, spatially-resolved tracer concentrations in porous media. Diffusion experiments involving the migration of H(2)O into D(2)O-saturated porous media are conducted. One-dimensional spatial distributions of H(2)O-tracer concentrations acquired from experiments with the homogeneous synthetic calcium silicate are fitted with the one-dimensional analytical solution of Fick's second law to confirm that the experimental method provides results that are consistent with expectations for Fickian diffusion in porous media. The MRI-measured concentration profiles match well with the solution for Fick's second law and provide a pore-water diffusion coefficient of 1.75×10(-9)m(2)s(-1). The experimental approach was then extended to evaluate diffusion in a heterogeneous natural sandstone in three dimensions. The relatively high hydraulic conductivity of the sandstone, and the contrast in fluid density between the H(2)O tracer and the D(2)O pore fluid, lead to solute transport by a combination of diffusion and density-driven advection. The MRI measurements of spatially distributed tracer concentration, combined with numerical simulations allow for the identification of the respective influences of advection and diffusion. The experimental data are interpreted with the aid of MIN3P-D - a multicomponent reactive transport code that includes the coupled processes of diffusion and density-driven advection. The model defines local diffusion coefficients as a function of spatially resolved porosity measurements. The D(e) values calculated for the heterogeneous sandstone and used to

  2. New best estimates for radionuclide solid-liquid distribution coefficients in soils. Part 2: naturally occurring radionuclides.

    PubMed

    Vandenhove, H; Gil-García, C; Rigol, A; Vidal, M

    2009-09-01

    Predicting the transfer of radionuclides in the environment for normal release, accidental, disposal or remediation scenarios in order to assess exposure requires the availability of an important number of generic parameter values. One of the key parameters in environmental assessment is the solid liquid distribution coefficient, K(d), which is used to predict radionuclide-soil interaction and subsequent radionuclide transport in the soil column. This article presents a review of K(d) values for uranium, radium, lead, polonium and thorium based on an extensive literature survey, including recent publications. The K(d) estimates were presented per soil groups defined by their texture and organic matter content (Sand, Loam, Clay and Organic), although the texture class seemed not to significantly affect K(d). Where relevant, other K(d) classification systems are proposed and correlations with soil parameters are highlighted. The K(d) values obtained in this compilation are compared with earlier review data.

  3. Strontium Distribution Coefficients of Basalt and Sediment Infill Samples from the Idaho National Engineering and Environmental Laboratory, Idaho

    SciTech Connect

    M. N. Pace; R. C. Bartholomay; J. J. Rosentreter

    1999-07-01

    The U.S. Geological Survey and Idaho State University, in cooperation with the U.S. Department of Energy, are conducting a study to determine and evaluate strontium distribution coefficients (Kds) of subsurface materials at the Idaho National Engineering and Environmental Laboratory (INEEL). The purpose of this study is to aid in assessing the variability of strontium Kds at the INEEL as part of an ongoing investigation of chemical transport of strontium-90 in the Snake River Plain aquifer. Batch experimental techniques were used to determine Kds of six basalt core samples, five samples of sediment infill of vesicles and fractures, and six standard material samples. Analyses of data from these experiments indicate that the Kds of the sediment infill samples are significantly larger than those of the basalt samples. Quantification of such information is essential of furthering the understanding of transport processes of strontium-90 in the Snake River Plain aquifer and in similar environments.

  4. Measurements of Pressure Distributions and Force Coefficients in a Squeeze Film Damper. Part 2: Partially Sealed Configuration

    NASA Technical Reports Server (NTRS)

    Jung, S. Y.; Sanandres, Luis A.; Vance, J. M.

    1991-01-01

    Experimental results from a partially sealed squeeze film damper (SFD) test rig, executing a circular centered orbit are presented and discussed. A serrated piston ring is installed at the damper exit. This device involves a new sealing concept which produces high damping values while allowing for oil flow to cool the damper. In the partially sealed damper, large cavitation regions are observed in the pressure fields at orbit radii epsilon equals 0.5 and epsilon equals 0.8. The cavitated pressure distributions and the corresponding force coefficients are compared with a cavitated bearing solution. The experimental results show the significance of fluid inertia and vapor cavitation in the operation of squeeze film dampers. Squeeze film Reynolds numbers tested reach up to Re equals 50, spanning the range of contemporary applications.

  5. Heat of adsorption and density distribution in slit pores with defective walls: GCMC simulation studies and comparison with experimental data

    NASA Astrophysics Data System (ADS)

    Do, D. D.; Nicholson, D.; Do, H. D.

    2007-04-01

    The adsorption behavior (capacity, density distribution and packing density) and the isosteric heat versus loading in a slit pore whose walls contain defective graphene layers are investigated in this paper. The defective wall is characterized by the extent and size of the defect. Simulation results obtained with the Grand Canonical Monte Carlo method reveal complex patterns of isosteric heat, and this complex behavior is a result of the interplay between three factors: (i) the surface heterogeneity (solid-fluid interaction, sites with varying degree of affinity), (ii) fluid-fluid interaction and (iii) the overlapping of potentials exerted by the two defective walls. We illustrate this with argon adsorption in pores of various sizes, and results obtained from the simulation agree qualitatively with the experimental data at 77 K on Saran microporous S600H and micro-mesoporous S84 charcoals of Beebe et al. [R.A. Beebe, B. Millard, J. Cynarski, J. Am. Chem. Soc. 75 (1953) 839]. The S600H was found to contain pores predominantly in the neighborhood of 7 Å with 30% of defect and a defective size of 2.84 Å. This is consistent with the argument made by Beebe et al. that this sample is a microporous solid and most pores can accommodate only one layer. The other sample, S84, has larger pores than S600H, and it is found that it has a wider pore size distribution and the pore width is centered at about 12 Å.

  6. Simultaneous updating of spatially distributed hydraulic conductivities and leakage coefficients with the Ensemble Kalman Filter. Application: Zurich, Switzerland.

    NASA Astrophysics Data System (ADS)

    Hendricks Franssen, Harrie-Jan; Kaiser, Hans-Peter; Kuhlman, Uli; Bauser, Gero; Stauffer, Fritz; Müller, Robert; Kinzelbach, Wolfgang

    2010-05-01

    The aquifer of the upper Limmat Valley in the city of Zurich (Switzerland) is exploited intensively for drinking water purposes. The well field is located close to the city centre and artificial recharge from basins and infiltration wells should protect the pumping wells against contamination from the city. The aquifer gains important amounts of water from the river, and also receives some lateral inflow and recharge from net precipitation. A 3D variably saturated subsurface hydrological model was developed for the area, which takes river- aquifer interaction into account. The Ensemble Kalman Filter is used to update hydraulic heads in real-time and to provide predictions for the next 10 days. The simulation experiments showed that the characterisation of the hydraulic head distribution was considerable improved if piezometric data were assimilated, as compared with a calibrated model that was not updated in real-time. Predictions for a longer time horizon (10 days) were also improved with help of the assimilation of observations. If both states and parameters (spatially distributed hydraulic conductivity and leakage coefficient) were updated, predictions were better than without updating; the mean absolute errors for the 1-day and, especially 10-day hydraulic head predictions were reduced, both at assimilation locations and verification locations. In order to explore whether parameter estimates also improved a synthetic experiment with the model for the Limmat valley aquifer was carried out. The synthetic model used one specific stochastic realisation as reality, while forcings, initial and boundary conditions were not modified. In these experiments, too, the best results were obtained if both hydraulic conductivity and leakage coefficient were updated. The parameter estimates improved arriving at a reduction of the mean absolute error of up to 30% for hydraulic conductivity and 60% for the leakage coefficient. Better results were obtained if more stochastic

  7. A Method to Estimate Friction Coefficient from Orientation Distribution of Meso-scale Faults: Applications to Faults in Forearc Sediment and Underplated Tectonic Mélange

    NASA Astrophysics Data System (ADS)

    Sato, K.

    2015-12-01

    Friction coefficients along faults control the brittle strength of the earth's upper crust, although it is difficult to estimate them especially of ancient geological faults. Several previous studies tried to determine the friction coefficient of meso-scale faults from their orientation distribution as follows. Fault-slip analysis through stress tensor inversion techniques gives principal stress axes and a stress ratio, which allows us to draw a normalized Mohr's circle. Assuming that a faulting occurs when the ratio of shear stress to normal stress on it, i.e., the slip tendency, exceeds the friction coefficient, one can find a linear boundary of distribution of points corresponding to faults on Mohr diagram. The slope of the boundary (friction envelope) provides the friction coefficient. This method has a difficulty in graphically and manually recognizing the linear boundary of distribution on the Mohr diagram. This study automated the determination of friction coefficient by considering the fluctuations of fluid pressure and differential stress. These unknown factors are expected to make difference in density of points representing faults on the Mohr diagram. Since the density is controlled by the friction coefficient, we can optimize the friction coefficient so as to explain the density distribution. The method was applied to two examples of natural meso-scale faults. The first example is from the Pleistocene Kazusa Group, central Japan, which filled a forearc basin of the Sagami Trough. Stress inversion analysis showed WNW-ENE trending tensional stress with a low stress ratio. The friction coefficient was determined to be around 0.66, which is typical value for sandstone. The Second example is from an underplated tectonic mélange in the Cretaceous to Paleogene Shimanto accretionary complex in southwest Japan along the Nankai Trough. The stress condition was determined to be an axial compression perpendicular to the foliation of shale matrix. The friction

  8. On Association Coefficients for 2x2 Tables and Properties that Do Not Depend on the Marginal Distributions

    ERIC Educational Resources Information Center

    Warrens, Matthijs J.

    2008-01-01

    We discuss properties that association coefficients may have in general, e.g., zero value under statistical independence, and we examine coefficients for 2x2 tables with respect to these properties. Furthermore, we study a family of coefficients that are linear transformations of the observed proportion of agreement given the marginal…

  9. Simulation of temporal and spatial distribution of required irrigation water by crop models and the pan evaporation coefficient method

    NASA Astrophysics Data System (ADS)

    Yang, Yan-min; Yang, Yonghui; Han, Shu-min; Hu, Yu-kun

    2009-07-01

    Hebei Plain is the most important agricultural belt in North China. Intensive irrigation, low and uneven precipitation have led to severe water shortage on the plain. This study is an attempt to resolve this crucial issue of water shortage for sustainable agricultural production and water resources management. The paper models distributed regional irrigation requirement for a range of cultivated crops on the plain. Classic crop models like DSSAT- wheat/maize and COTTON2K are used in combination with pan-evaporation coefficient method to estimate water requirements for wheat, corn, cotton, fruit-trees and vegetables. The approach is more accurate than the static approach adopted in previous studies. This is because the combination use of crop models and pan-evaporation coefficient method dynamically accounts for irrigation requirement at different growth stages of crops, agronomic practices, and field and climatic conditions. The simulation results show increasing Required Irrigation Amount (RIA) with time. RIA ranges from 5.08×109 m3 to 14.42×109 m3 for the period 1986~2006, with an annual average of 10.6×109 m3. Percent average water use by wheat, fruit trees, vegetable, corn and cotton is 41%, 12%, 12%, 11%, 7% and 17% respectively. RIA for April and May (the period with the highest irrigation water use) is 1.78×109 m3 and 2.41×109 m3 respectively. The counties in the piedmont regions of Mount Taihang have high RIA while the central and eastern regions/counties have low irrigation requirement.

  10. Effect of Colloids on the Calculation of Distribution Coefficients in Studies of Metal Sorption on Organic Matter

    NASA Astrophysics Data System (ADS)

    Straka, A. M.; Schijf, J.

    2010-12-01

    For proper calculation of distribution coefficients in metal sorption studies it is essential to fully separate dissolved from particulate metal. This is typically done via membrane filtration whereby the cutoff between dissolved and particulate fractions is somewhat arbitrarily set at 0.22 μm, dictated by available pore sizes. However, the pH-dependent formation of colloid-bound metal, able to bypass this procedure, can lead to analytical artifacts by adding an unknown and variable amount of particulate metal to the mechanically defined ‘dissolved’ pool, especially for organic substrates. We investigated this phenomenon in the context of yttrium and rare earth element (YREE) sorption on the marine macroalga Ulva lactuca (sea lettuce). U. lactuca is a suitable model for marine organic matter as it has a simple morphology, is ubiquitous throughout the world’s oceans, and readily sorbs a great variety of trace metals. Solutions containing all YREEs were equilibrated for 6-12 hours with dehydrated, powdered U. lactuca tissue over a wide pH range (3.0-8.5) at three ionic strengths (0.05, 0.5 and 5.0 M NaCl), after which aliquots were filtered through 0.22 μm membranes. The resulting filtrates were further separated into >30 kDa and >3 kDa colloidal fractions by sequential centrifugation in Amicon® ultrafiltration tubes. In all three experiments, YREEs are truly dissolved (<3 kDa) at low pH but almost entirely colloidal (>30 kDa) at high pH with a sharp transition in between, suggesting pH-dependent YREE complexation with large organic ligands released by the algal cells. The fraction of small colloids (3-30 kDa) is generally negligible. The same sorption edge emerged for fresh algal tissue, implying that the release of organic ligands is not caused by pervasive cell rupture. In 0.5 and 5.0 M NaCl solutions the sorption edge is centered around pH 6-8, but in 0.05 M NaCl it occurs around pH 4-6 whence more than 80% of dissolved YREEs is actually bound to

  11. TU-F-18C-05: Evaluation of a Method to Calculate Patient-Oriented MGD Coefficients Using Estimates of Glandular Tissue Distribution

    SciTech Connect

    Porras-Chaverri, M; Galavis, P; Bakic, P; Vetter, J

    2014-06-15

    Purpose: Evaluate mammographic mean glandular dose (MGD) coefficients for particular known tissue distributions using a novel formalism that incorporates the effect of the heterogeneous glandular tissue distribution, by comparing them with MGD coefficients derived from the corresponding anthropomorphic computer breast phantom. Methods: MGD coefficients were obtained using MCNP5 simulations with the currently used homogeneous assumption and the heterogeneously-layered breast (HLB) geometry and compared against those from the computer phantom (ground truth). The tissue distribution for the HLB geometry was estimated using glandularity map image pairs corrected for the presence of non-glandular fibrous tissue. Heterogeneity of tissue distribution was quantified using the glandular tissue distribution index, Idist. The phantom had 5 cm compressed breast thickness (MLO and CC views) and 29% whole breast glandular percentage. Results: Differences as high as 116% were found between the MGD coefficients with the homogeneous breast core assumption and those from the corresponding ground truth. Higher differences were found for cases with more heterogeneous distribution of glandular tissue. The Idist for all cases was in the [−0.8{sup −}+0.3] range. The use of the methods presented in this work results in better agreement with ground truth with an improvement as high as 105 pp. The decrease in difference across all phantom cases was in the [9{sup −}105] pp range, dependent on the distribution of glandular tissue and was larger for the cases with the highest Idist values. Conclusion: Our results suggest that the use of corrected glandularity image pairs, as well as the HLB geometry, improves the estimates of MGD conversion coefficients by accounting for the distribution of glandular tissue within the breast. The accuracy of this approach with respect to ground truth is highly dependent on the particular glandular tissue distribution studied. Predrag Bakic discloses

  12. Spatial Distribution of the Coefficient of Variation and Bayesian Forecast for the Paleo-Earthquakes in Japan

    NASA Astrophysics Data System (ADS)

    Nomura, Shunichi; Ogata, Yosihiko

    2016-04-01

    We propose a Bayesian method of probability forecasting for recurrent earthquakes of inland active faults in Japan. Renewal processes with the Brownian Passage Time (BPT) distribution are applied for over a half of active faults in Japan by the Headquarters for Earthquake Research Promotion (HERP) of Japan. Long-term forecast with the BPT distribution needs two parameters; the mean and coefficient of variation (COV) for recurrence intervals. The HERP applies a common COV parameter for all of these faults because most of them have very few specified paleoseismic events, which is not enough to estimate reliable COV values for respective faults. However, different COV estimates are proposed for the same paleoseismic catalog by some related works. It can make critical difference in forecast to apply different COV estimates and so COV should be carefully selected for individual faults. Recurrence intervals on a fault are, on the average, determined by the long-term slip rate caused by the tectonic motion but fluctuated by nearby seismicities which influence surrounding stress field. The COVs of recurrence intervals depend on such stress perturbation and so have spatial trends due to the heterogeneity of tectonic motion and seismicity. Thus we introduce a spatial structure on its COV parameter by Bayesian modeling with a Gaussian process prior. The COVs on active faults are correlated and take similar values for closely located faults. It is found that the spatial trends in the estimated COV values coincide with the density of active faults in Japan. We also show Bayesian forecasts by the proposed model using Markov chain Monte Carlo method. Our forecasts are different from HERP's forecast especially on the active faults where HERP's forecasts are very high or low.

  13. Measured pressure distributions, aerodynamic coefficients and shock shapes on blunt bodies at incidence in hypersonic air and CF4

    NASA Technical Reports Server (NTRS)

    Miller, C. G., III

    1982-01-01

    Pressure distributions, aerodynamic coefficients, and shock shapes were measured on blunt bodies of revolution in Mach 6 CF4 and in Mach 6 and Mach 10 air. The angle of attack was varied from 0 deg to 20 deg in 4 deg increments. Configurations tested were a hyperboloid with an asymptotic angle of 45 deg, a sonic-corner paraboloid, a paraboloid with an angle of 27.6 deg at the base, a Viking aeroshell generated in a generalized orthogonal coordinate system, and a family of cones having a 45 deg half-angle with spherical, flattened, concave, and cusp nose shapes. Real-gas effects were simulated for the hperboloid and paraboloid models at Mach 6 by testing at a normal-shock density ratio of 5.3 in air and 12 CF4. Predictions from simple theories and numerical flow field programs are compared with measurement. It is anticipated that the data presented in this report will be useful for verification of analytical methods for predicting hypersonic flow fields about blunt bodies at incidence.

  14. Distribution coefficients of 60 elements on TODGA resin: application to Ca, Lu, Hf, U and Th isotope geochemistry.

    PubMed

    Pourmand, Ali; Dauphas, Nicolas

    2010-05-15

    Batch equilibration experiments are conducted to measure the distribution coefficients (K(d)) of a large number of elements in nitric, nitric plus hydrofluoric, and hydrochloric acids on Eichrom TODGA extraction chromatography resin. The K(d)s are used to devise a multi-element extraction scheme for high-precision elemental and isotopic analyses of Ca, Hf, Lu, Th and U in geological materials, using high-purity lithium metaborate (LiBO(2)) flux fusion that allows rapid digestion of even the most refractory materials. The fusion melt, dissolved in nitric acid, is directly loaded to a TODGA cartridge on a vacuum chamber for elemental separation. An Ln-Spec cartridge is used in tandem with TODGA for Lu purification. The entire procedure, from flux digestion to preparation for isotopic analysis, can be completed in a day. The accuracy of the proposed technique is tested by measuring the concentrations of Ca (standard bracketing), Hf, Lu, Th and U (isotope dilution), and the isotopic composition of Hf in geostandards (USNM3529, BCR-2, BHVO-1, AGV-1 and AGV-2). All measurements are in excellent agreement with recommended literature values, demonstrating the effectiveness of the proposed analytical procedure and the versatility of TODGA resin. PMID:20298848

  15. Estimation of distribution coefficient of natural radionuclides in soil around uranium mines and its effect with ionic strength of water.

    PubMed

    Mishra, S; Maity, S; Pandit, G G

    2012-11-01

    The distribution coefficient, K(d) in soil is an important parameter to predict the migration of contaminants. In this study, uranium (U) and its decay products thorium (Th), radium (Ra), bismuth (Bi), lead (Pb) and polonium (Po), which may contaminate the soil and ground water around uranium mining areas, have been considered. Soil and ground water samples were collected from a proposed uranium mining site in India. The soil samples were characterised for different parameters affecting the K(d) values. The batch sorption method was employed to measure the K(d) of different radionuclides. The important factors affecting the batch method for K(d) estimation were identified and optimised. The variation of K(d) was observed with different ionic strength water samples. Results showed high K(d) values for Th(IV), Po(IV) and Pb(II) (log K(d) ∼4) and low K(d) (log K(d) ∼2-3) for U(VI), Ra(II) and Bi(III) in all three types of water with different ionic strength.

  16. Soil-water distribution coefficients and plant transfer factors for (134)Cs, (85)Sr and (65)Zn under field conditions in tropical Australia.

    PubMed

    Twining, J R; Payne, T E; Itakura, T

    2004-01-01

    Measurements of soil-to-plant transfer of (134)Cs, (85)Sr and (65)Zn from two tropical red earth soils ('Blain' and 'Tippera') to sorghum and mung crops have been undertaken in the north of Australia. The aim of the study was to identify factors that control bioaccumulation of these radionuclides in tropical regions, for which few previous data are available. Batch sorption experiments were conducted to determine the distribution coefficient (K(d)) of the selected radionuclides at pH values similar to natural pH values, which ranged from about 5.5 to 6.7. In addition, K(d) values were obtained at one pH unit above and below the soil-water equilibrium pH values to determine the effect of pH. The adsorption of Cs showed no pH dependence, but the K(d) values for the Tippera soils (2300-4100 ml/g) exceeded those for the Blain soils (800-1200 ml/g) at equilibrium pH. This was related to the greater clay content of the Tippera soil. Both Sr and Zn were more strongly adsorbed at higher pH values, but the K(d) values showed less dependence on the soil type. Strontium K(d)s were 30-60 ml/g whilst Zn ranged from 160 to 1630 ml/g for the two soils at equilibrium pH. With the possible exception of Sr, there was no evidence for downward movement of radionuclides through the soils during the course of the growing season. There was some evidence of surface movement of labelled soil particles. Soil-to-plant transfer factors varied slightly between the soils. The average results for sorghum were 0.1-0.3 g/g for Cs, 0.4-0.8 g/g for Sr and 18-26 g/g for Zn (dry weight) with the initial values relating to Blain and the following values to Tippera. Similar values were observed for the mung bean samples. The transfer factors for Cs and Sr were not substantially different from the typical values observed in temperate studies. However, Zn transfer factors for plants grown on both these tropical soils were greater than for soils in temperate climates (by more than an order of magnitude

  17. Effect of quantum dot size and size distribution on the intersublevel transitions and absorption coefficients of III-V semiconductor quantum dot

    SciTech Connect

    Kabi, Sanjib; Perera, A. G. Unil

    2015-03-28

    The intersublevel absorption peak energy and absorption coefficient of non-uniform quantum dot (QD) ensembles are calculated analytically. The effect of size variations and size distribution of QDs on their energy states is analyzed. The dots are considered as a quantum box with finite potential at the barriers and the size distribution described by a Gaussian function. The influence of the aspect ratio (base to height ratio) of the QDs on the optical transitions is studied. Our model predicts the dot size (height and base) accurately to determine the absorption peaks and corresponding absorption coefficient. We also compute the absorption coefficient of the QD with different size distributions to verify the results calculated using this model with the reported experimental and other theoretical results.

  18. Determination of oil/water and octanol/water distribution coefficients from aqueous solutions from four fossil fuels. [MS thesis; in oil-water and octanol-water

    SciTech Connect

    Thomas, B.L.

    1984-07-01

    Liquid fossil fuels, both petroleum and synthetically derived oils, are exceedingly complex mixtures of thousands of components. The effect of many of these energy-related components on the environment is largely unknown. Octanol/water distribution coefficients relate both to toxicity and to the bioaccumulation potential of chemical components. Use of these partition data in conjunction with component concentrations in the oils in environmental models provides important information on the fate of fossil fuel components when released to the environment. Octanol/water distribution data are not available for many energy-related organic compounds, and those data that are available have been determined for individual components in simple, one-component octanol/water equilibrium mixtures. In this study, methods for determining many octanol/water distribution coefficients from aqueous extracts of oil products were developed. Sample aqueous mixtures were made by equilibrating liquid fossil fuels with distilled water. This approach has the advantage of detecting interactions between components of interest and other sample components. Compound types studied included phenols, nitrogen bases, hydrocarbons, sulfur heterocyclic compounds, and carboxylic acids. Octanol/water distribution coefficients that were determined in this study ranged from 9.12 for aniline to 67,600 for 1,2-dimethylnaphthalene. Within a compound type, distribution coefficients increased logarithmically with increasing alkyl substitution and molecular weight. Additionally, oil/water distribution data were determined for oil components. These data are useful in predicting maximum environmental concentrations in water columns. 96 references, 26 figures, and 40 tables.

  19. Adsorption, uptake and distribution of gold nanoparticles in Daphnia magna following long term exposure.

    PubMed

    Botha, Tarryn Lee; Boodhia, Kailen; Wepener, Victor

    2016-01-01

    Gold nanoparticles (nAu) have recently been studied and developed within the biological and photothermal therapeutic contexts. The major clinical interest is within the application of novel drug delivery systems. Environmental exposure to nanoparticles can occur in different stages of the lifecycle of the product; from their synthesis, applications, product weathering and their disposal. Freshwater Daphnids, specifically Daphnia magna, have been used since the 1960s as a standard species in acute and chronic aquatic toxicity testing. Visualization of the interactions and uptake of nAu by D. magna was related to reproduction and molting patterns. Exposure to nAu was done using a chronic reproduction test performed for 14 days at six concentrations (0.5mg/L, 2mg/L, 5mg/L, 10mg/L, 15mg/L and 20mg/L). Microscopy was used to determine whether there was any uptake or interaction of nAu with daphnia. However the concentration of nAu in the media and the charge of particles played a role in the uptake and surface adsorption. As exposure concentrations of nAu increased it appeared that the nAu aggregated onto the surface and in the gut of the organisms in higher concentrations. There was no evidence of nAu internalization into the body cavity of the daphnia. Aquatic exposure to nAu resulted in increased adhesion of the particles to the carapace of daphnia, ingestion and uptake into the gut of daphnia and had no significant effect on reproduction and molting patterns.

  20. Ion Exchange Distribution Coefficient Tests and Computer Modeling at High Ionic Strength Supporting Technetium Removal Resin Maturation

    SciTech Connect

    Nash, Charles A.; Hamm, L. Larry; Smith, Frank G.; McCabe, Daniel J.

    2014-12-19

    The primary treatment of the tank waste at the DOE Hanford site will be done in the Waste Treatment and Immobilization Plant (WTP) that is currently under construction. The baseline plan for this facility is to treat the waste, splitting it into High Level Waste (HLW) and Low Activity Waste (LAW). Both waste streams are then separately vitrified as glass and poured into canisters for disposition. The LAW glass will be disposed onsite in the Integrated Disposal Facility (IDF). There are currently no plans to treat the waste to remove technetium, so its disposition path is the LAW glass. Due to the water solubility properties of pertechnetate and long half-life of 99Tc, effective management of 99Tc is important to the overall success of the Hanford River Protection Project mission. To achieve the full target WTP throughput, additional LAW immobilization capacity is needed, and options are being explored to immobilize the supplemental LAW portion of the tank waste. Removal of 99Tc, followed by off-site disposal, would eliminate a key risk contributor for the IDF Performance Assessment (PA) for supplemental waste forms, and has potential to reduce treatment and disposal costs. Washington River Protection Solutions (WRPS) is developing some conceptual flow sheets for supplemental LAW treatment and disposal that could benefit from technetium removal. One of these flowsheets will specifically examine removing 99Tc from the LAW feed stream to supplemental immobilization. To enable an informed decision regarding the viability of technetium removal, further maturation of available technologies is being performed. This report contains results of experimental ion exchange distribution coefficient testing and computer modeling using the resin SuperLig® 639a to selectively remove perrhenate from high ionic strength simulated LAW. It is advantageous to operate at higher concentration in order to treat the waste

  1. The Adsorption of Arsenic on Iron Pipes in Water Distribution Systems

    EPA Science Inventory

    In order to remain compliant with the U.S. EPA’s Lead and Copper rule, it is pivotal to understand the relationship between factors affecting lead release in drinking water distribution systems. Lead solids were synthesized in cell experiments using a pH range of 6-11 with both 1...

  2. Distribution or adsorption: the major dilemma in reversed-phase HPLC

    NASA Astrophysics Data System (ADS)

    Deineka, V. I.

    2008-06-01

    A method is suggested for analyzing the dependences obtained for different compositions of mobile eluent system phases, their slopes and intercepts, log k( i, B) = a + b log k ( i, A), where a is the intercept for the A and B stationary phases and b is the proportionality factor. An analysis requires parallel investigation of sorbate retention on at least three stationary phases with different lengths of grafted hydrocarbon radicals. The dependence of correlation parameters on the sorbate retention mechanism is discussed. It is shown that the hypothetical dependences coincide with the experimental dependences for surface sorption of resveratrol and volume distribution of triglycerides.

  3. Effect of seawater salinity on pore-size distribution on a poly(styrene)-based HP20 resin and its adsorption of diarrhetic shellfish toxins.

    PubMed

    Fan, Lin; Sun, Geng; Qiu, Jiangbing; Ma, Qimin; Hess, Philipp; Li, Aifeng

    2014-12-19

    In the present study, okadaic acid (OA) and dinophysistoxin-1 (DTX1) were spiked into artificial seawater at low, medium and high estuarine salinities (9‰, 13.5‰ and 27‰). Passive samplers (HP20 resin) used for solid phase adsorption toxin tracking (SPATT) technology were exposed in these seawaters for 12-h periods. Adsorption curves well fitted a pseudo-secondary kinetics model. The highest initial sorption rates of both toxins occurred in the seawater of medium salinity, followed by seawater of low and high estuarine salinity. Pore volumes of micropores (<2 nm) and small mesopores (2 nmadsorption of toxins in seawater at high and low salinity but not in seawater at medium salinity, which demonstrated that the toxin molecules entered into micropores and mesopores (below 10nm in size) in seawaters of high and low salinity. More toxin or other matrix agglomerates were displayed on the surface of resin deployed in the seawater of medium salinity. Taking into consideration the pore-size distribution and surface images, it appears that intra-particle diffusion governs toxin adsorption in seawater at high salinity while film diffusion mainly controls the adsorption process in seawater at medium salinity. This is the first study to confirm that molecules of OA and DTX1 are able to enter into micropores (<2nm) and small mesopores (2-10nm) of HP20 resin in estuarine seawater with high salinity (∼27‰).

  4. A Numerical Procedure for Flow Distribution and Pressure Drops for U and Z Type Configurations Plate Heat Exchangers with Variable Coefficients

    NASA Astrophysics Data System (ADS)

    López, R.; Lecuona, A.; Ventas, R.; Vereda, C.

    2012-11-01

    In Plate Heat Exchangers it is important to determine the flow distribution and pressure drops, because they affect directly the performance of a heat exchanger [1]. This work proposes an incompressible, one-dimensional, steady state, discrete model allowing for variable overall momentum coefficients to determine these magnitudes. The model consists on a modified version of the Bajura and Jones [2] model for dividing and combining flow manifolds. The numerical procedure is based on the finite differences approximation approach proposed by Datta and Majumdar [3]. A linear overall momentum coefficient distribution is used in the dividing manifold, but the model is not limited to linear distributions. Comparisons are made with experimental, numerical and analytical data, yielding good results.

  5. How realistic is the pore size distribution calculated from adsorption isotherms if activated carbon is composed of fullerene-like fragments?

    PubMed

    Terzyk, Artur P; Furmaniak, Sylwester; Harris, Peter J F; Gauden, Piotr A; Włoch, Jerzy; Kowalczyk, Piotr; Rychlicki, Gerhard

    2007-11-28

    A plausible model for the structure of non-graphitizing carbon is one which consists of curved, fullerene-like fragments grouped together in a random arrangement. Although this model was proposed several years ago, there have been no attempts to calculate the properties of such a structure. Here, we determine the density, pore size distribution and adsorption properties of a model porous carbon constructed from fullerene-like elements. Using the method proposed recently by Bhattacharya and Gubbins (BG), which was tested in this study for ideal and defective carbon slits, the pore size distributions (PSDs) of the initial model and two related carbon models are calculated. The obtained PSD curves show that two structures are micro-mesoporous (with different ratio of micro/mesopores) and the third is strictly microporous. Using the grand canonical Monte Carlo (GCMC) method, adsorption isotherms of Ar (87 K) are simulated for all the structures. Finally PSD curves are calculated using the Horvath-Kawazoe, non-local density functional theory (NLDFT), Nguyen and Do, and Barrett-Joyner-Halenda (BJH) approaches, and compared with those predicted by the BG method. This is the first study in which different methods of calculation of PSDs for carbons from adsorption data can be really verified, since absolute (i.e. true) PSDs are obtained using the BG method. This is also the first study reporting the results of computer simulations of adsorption on fullerene-like carbon models.

  6. Bright optical solitons or light bullets for a (3 + 1)-dimensional generalized nonlinear Schrödinger equation with the distributed coefficients

    NASA Astrophysics Data System (ADS)

    Yin, Hui-Min; Tian, Bo; Zhen, Hui-Ling; Chai, Jun; Wu, Xiao-Yu

    2016-09-01

    Under investigation in this paper is a (3 + 1)-dimensional generalized nonlinear Schrödinger equation with the distributed coefficients for the spatiotemporal optical solitons or light bullets. Through the symbolic computation and Hirota method, one- and two-soliton solutions are derived. We also present the Bäcklund transformation, through which we derive the soliton solutions. When the gain/loss coefficient is the monotonically decreasing function for the propagation coordinate z, amplitude for the spatiotemporal optical soliton or light bullet decreases along z, while when the gain/loss coefficient is the monotonically increasing function for z, amplitude for the spatiotemporal optical soliton or light bullet increases along z. Directions of the solitons are different because the signs of imaginary parts of the frequencies are adverse. Based on the two-soliton solutions, elastic and inelastic collisions between the two spatiotemporal optical solitons or light bullets are derived under different conditions presented in the paper.

  7. Perfluorooctanoic acid (PFOA) and perfluorooctanesulfonic acid (PFOS) in surface waters, sediments, soils and wastewater - A review on concentrations and distribution coefficients.

    PubMed

    Zareitalabad, P; Siemens, J; Hamer, M; Amelung, W

    2013-05-01

    The sorption of perfluorinated compounds (PFCs) to soils and sediments determines their fate and distribution in the environment, but there is little consensus regarding distribution coefficients that should be used for assessing the environmental fate of these compounds. Here we reviewed sorption coefficients for PFCs derived from laboratory experiments and compared these values with the gross distribution between the concentrations of PFCs in surface waters and sediments or between wastewater and sewage sludge. Sorption experiments with perfluorooctanesulfonic acid (PFOS) and perfluorooctanoic acid (PFOA) suggest that their sorption can be described reasonably well as a partitioning-like process with an average log K(oc) of approximately 2.8 for PFOA and 3.0 for PFOS. However, median concentrations in sediments (PFOA, 0.27 ng g(-1); PFOS, 0.54 ng g(-1)) or sewage sludge (PFOA, 37 ng g(-1); PFOS, 69 ng g(-1)) in relation to median concentrations in surface water (PFOA, 3ngl(-1); PFOS, 3ngl(-1)) or wastewater treatment effluent (PFOA, 24 ng l(-1); PFOS, 11 ng l(-1)), suggest that effective log K(oc) distribution coefficients for the field situation may be close to 3.7 for PFOA and 4.2 for PFOS. Applying lab-based log K(oc) distribution coefficients can therefore result in a serious overestimation of PFC concentrations in water and in turn to an underestimation of the residence time of PFOA and PFOS in contaminated soils. Irrespective of the dissipation kinetics, the majority of PFOA and PFOS from contaminated soils will be transported to groundwater and surface water bodies.

  8. Sensitivity Analysis on the Half-Life of Trichloroethylene and the Distribution Coefficient at the Paducah Gaseous Diffusion Plant

    SciTech Connect

    Kopp, Joshua D

    2007-06-01

    To determine the future extent of the TCE contamination plume at PGDP, a groundwater and solute transport model has been developed by the Department of Energy (DOE). The model used to perform these calculations is MODFLOWT which is an enhanced groundwater transport model developed by the United States Geological Survey (USGS). MODFLOWT models groundwater movement as well as the transport of species that are subject to adsorption and decay by using a finite difference method (Duffield et al 2001). A significant limitation of MODFLOWT is that it requires large amounts of data. This data can be difficult and expensive to obtain. MODFLOWT also requires excessive computational time to perform one simulation. It is desirable to have a model that can predict the spatial extent of the contaminant plume without as much required data and that does not require excessive computational times. The purpose of this study is to develop and alternative model to MODFLOWT that can produce similar results for possible use in a companion management model. The alternative model used in this study is an artificial neural network (ANN).

  9. The effect of oil-water partition coefficient on the distribution and cellular uptake of liposome-encapsulated gold nanoparticles.

    PubMed

    Bao, Quan-Ying; Liu, Ai-Yun; Ma, Yu; Chen, Huan; Hong, Jin; Shen, Wen-Bin; Zhang, Can; Ding, Ya

    2016-10-01

    The shape, size, and surface features of nanoparticles greatly influence the structure and properties of resulting hybrid nanosystems. In this work, gold nanoparticles (GNPs) were modified via S-Au covalent bonding by glycol monomethyl ether thioctate with poly(ethylene glycol) methyl ether of different molecular weights (i.e., 350, 550, and 750Da). These modified GNPs (i.e., GNP350, GNP550, and GNP750) showed different oil-water partition coefficients (Kp), as detected using inductively coupled plasma-atomic emission spectroscopy. The different Kp values of the gold conjugates (i.e., 13.98, 2.11, and 0.036 for GNP350, GNP550, and GNP750, respectively) resulted in different conjugate localization within liposomes, as observed by transmission electron microscopy. In addition, the cellular uptake of hybrid liposomes co-encapsulating gold conjugates and Nile red was evaluated using intracellular fluorescence intensity. The results indicated that precise GNP localization in the hydrophilic or hydrophobic liposome cavity could be achieved by regulating the GNP oil-water partition coefficient via surface modification; such localization could further affect the properties and functions of hybrid liposomes, including their cellular uptake profiles. This study furthers the understanding not only of the interaction between liposomes and inorganic nanoparticles but also of adjusting liposome-gold hybrid nanostructure properties via the surface chemistry of gold materials. PMID:27400242

  10. Distributions of the particle/gas and dust/gas partition coefficients for seventy-two semi-volatile organic compounds in indoor environment.

    PubMed

    Wei, Wenjuan; Mandin, Corinne; Blanchard, Olivier; Mercier, Fabien; Pelletier, Maud; Le Bot, Barbara; Glorennec, Philippe; Ramalho, Olivier

    2016-06-01

    Particle/gas and dust/gas partition coefficients (Kp and Kd) are two key parameters that address the partitioning of semi-volatile organic compounds (SVOCs) between gas-phase, airborne particles, and settled dust in indoor environment. A number of empirical equations to calculate the values of Kp and Kd have been reported in the literature. Therefore, the difficulty lies in the selection of a specific empirical equation in a given situation. In this study, we retrieved from the literature 38 empirical equations for calculating Kp and Kd values from the SVOC saturation vapor pressure and octanol/air partition coefficient. These values were calculated for 72 SVOCs: 9 phthalates, 9 polybrominated diphenyl ethers (PBDEs), 11 polychlorinated biphenyls (PCBs), 22 biocides, 14 polycyclic aromatic hydrocarbons (PAHs), 3 alkylphenols, 2 synthetic musks, tributylphosphate, and bisphenol A. The mean and median values of log10Kp or log10Kd for most SVOCs were of the same order of magnitude. The distribution of log10Kp values was fitted to either a normal distribution (for 27 SVOCs) or a log-normal distribution (for 45 SVOCs). This work provides a reference distribution of the log10Kp for 72 SVOCs, and its use may reduce the bias associated with the selection of a specific value or equation. PMID:27016817

  11. The Normal-Theory and Asymptotic Distribution-Free (ADF) Covariance Matrix of Standardized Regression Coefficients: Theoretical Extensions and Finite Sample Behavior.

    PubMed

    Jones, Jeff A; Waller, Niels G

    2015-06-01

    Yuan and Chan (Psychometrika, 76, 670-690, 2011) recently showed how to compute the covariance matrix of standardized regression coefficients from covariances. In this paper, we describe a method for computing this covariance matrix from correlations. Next, we describe an asymptotic distribution-free (ADF; Browne in British Journal of Mathematical and Statistical Psychology, 37, 62-83, 1984) method for computing the covariance matrix of standardized regression coefficients. We show that the ADF method works well with nonnormal data in moderate-to-large samples using both simulated and real-data examples. R code (R Development Core Team, 2012) is available from the authors or through the Psychometrika online repository for supplementary materials. PMID:24362970

  12. The Normal-Theory and Asymptotic Distribution-Free (ADF) Covariance Matrix of Standardized Regression Coefficients: Theoretical Extensions and Finite Sample Behavior.

    PubMed

    Jones, Jeff A; Waller, Niels G

    2015-06-01

    Yuan and Chan (Psychometrika, 76, 670-690, 2011) recently showed how to compute the covariance matrix of standardized regression coefficients from covariances. In this paper, we describe a method for computing this covariance matrix from correlations. Next, we describe an asymptotic distribution-free (ADF; Browne in British Journal of Mathematical and Statistical Psychology, 37, 62-83, 1984) method for computing the covariance matrix of standardized regression coefficients. We show that the ADF method works well with nonnormal data in moderate-to-large samples using both simulated and real-data examples. R code (R Development Core Team, 2012) is available from the authors or through the Psychometrika online repository for supplementary materials.

  13. Recommended Distribution Coefficients, Kd Values, for Special Analysis Risk Calculations Related to Waste Disposal and Tank Closure on the Savannah River Site

    SciTech Connect

    Kaplan, D

    2005-08-31

    The purpose of this document is to provide a technically defensible list of distribution coefficients, or Kd values, for use in performance assessment (PA) and special analysis (SA) calculations on the SRS. Only Kd values for radionuclides that have new information related to them or that have recently been recognized as being important are discussed in this report. Some 150 Kd values are provided in this report for various waste-disposal or tank-closure environments: soil, corrosion in grout, oxidizing grout waste, gravel, clay, and reducing concrete environments. Documentation and justification for the selection of each Kd value is provided.

  14. Latitudinal and altitudinal variation of size distribution of stratospheric aerosols inferred from SAGE aerosol extinction coefficient measurements at two wavelengths

    NASA Technical Reports Server (NTRS)

    Yue, G. K.; Deepak, A.

    1984-01-01

    A method of retrieving aerosol size distribution from the measured extinction of solar radiation at wavelengths of 0.45 microns and 1.0 microns has recently been proposed. This method is utilized to obtain latitudinal and altitudinal variations of size distributions of stratospheric aerosols from the Stratospheric Aerosol and Gas Experiment data for March 1979. Small particles are found in the lower stratosphere of the tropical region, and large particles are found at higher altitudes and latitudes in both hemispheres. Results of this study are consistent with the suggestion that the upper troposphere in tropical regions is a source of condensation nuclei in the stratosphere, and they become mature as they move to higher altitudes and latitude.

  15. Surface modification of activated carbon for enhanced adsorption of perfluoroalkyl acids from aqueous solutions.

    PubMed

    Zhi, Yue; Liu, Jinxia

    2016-02-01

    The objective of the research was to examine the effect of increasing carbon surface basicity on uptake of perfluorooctane sulfonic (PFOS) and carboxylic acids (PFOA) by activated carbon. Granular activated carbons made from coal, coconut shell, wood, and phenolic-polymer-based activated carbon fibers were modified through high-temperature and ammonia gas treatments to facilitate systematical evaluation of the impact of basicity of different origins. Comparison of adsorption isotherms and adsorption distribution coefficients showed that the ammonia gas treatment was more effective than the high-temperature treatment in enhancing surface basicity. The resultant higher point of zero charges and total basicity (measured by total HCl uptake) correlated with improved adsorption affinity for PFOS and PFOA. The effectiveness of surface modification to enhance adsorption varied with carbon raw material. Wood-based carbons and activated carbon fibers showed enhancement by one to three orders of magnitudes while other materials could experience reduction in adsorption towards either PFOS or PFOA.

  16. Surface modification of activated carbon for enhanced adsorption of perfluoroalkyl acids from aqueous solutions.

    PubMed

    Zhi, Yue; Liu, Jinxia

    2016-02-01

    The objective of the research was to examine the effect of increasing carbon surface basicity on uptake of perfluorooctane sulfonic (PFOS) and carboxylic acids (PFOA) by activated carbon. Granular activated carbons made from coal, coconut shell, wood, and phenolic-polymer-based activated carbon fibers were modified through high-temperature and ammonia gas treatments to facilitate systematical evaluation of the impact of basicity of different origins. Comparison of adsorption isotherms and adsorption distribution coefficients showed that the ammonia gas treatment was more effective than the high-temperature treatment in enhancing surface basicity. The resultant higher point of zero charges and total basicity (measured by total HCl uptake) correlated with improved adsorption affinity for PFOS and PFOA. The effectiveness of surface modification to enhance adsorption varied with carbon raw material. Wood-based carbons and activated carbon fibers showed enhancement by one to three orders of magnitudes while other materials could experience reduction in adsorption towards either PFOS or PFOA. PMID:26469934

  17. Chemical and physical properties affecting strontium distribution coefficients of surficial-sediment samples at the Idaho National Engineering and Environmental Laboratory, Idaho

    USGS Publications Warehouse

    Liszewski, M.J.; Rosentreter, J.J.; Miller, Karl E.; Bartholomay, R.C.

    2000-01-01

    The U.S. Geological Survey and Idaho State University, in cooperation with the U.S. Department of Energy, conducted a study to determine strontium distribution coefficients (K(d)s) of surficial sediments at the Idaho National Engineering and Environmental Laboratory (INEEL). Batch experiments using synthesized aqueous solutions were used to determine K(d)s, which describe the distribution of a solute between the solution and solid phase, of 20 surficial-sediment samples from the INEEL. The K(d)s for the 20 surficial-sediment samples ranged from 36 to 275 ml/g. Many properties of both the synthesized aqueous solutions and sediments used in the experiments also were determined. Solution properties determined were initial and equilibrium concentrations of calcium, magnesium, and strontium, pH and specific conductance, and initial concentrations of potassium and sodium. Sediment properties determined were grain-size distribution, bulk mineralogy, whole-rock major-oxide and strontium and barium concentrations, and Brunauer-Emmett-Teller (BET) surface area. Solution and sediment properties were correlated with strontium K(d)s of the 20 surficial sediments using Pearson correlation coefficients. Solution properties with the strongest correlations with strontium K(d)s were equilibrium pH and equilibrium calcium concentration correlation coefficients, 0.6598 and -0.6518, respectively. Sediment properties with the strongest correlations with strontium K(d)s were manganese oxide (MnO), BET surface area, and the >4.75-mm-grain-size fraction correlation coefficients, 0.7054, 0.7022, and -0.6660, respectively. Effects of solution properties on strontium K(d)s were interpreted as being due to competition among similarly charged and sized cations in solution for strontium-sorption sites; effects of sediment properties on strontium K(d)s were interpreted as being surface-area related. Multivariate analyses of these solution and sediment properties resulted in r2 values of 0

  18. The Use of Chemical and Physical Properties for Characterization of Strontium Distribution Coefficients at the Idaho National Engineering and Environmental Laboratory, Idaho

    SciTech Connect

    J. J. Rosentreter; R. Nieves; J. Kalivas; J. P. Rousseau; R. C. Bartholomay

    1999-06-01

    The U.S. Geological Survey and Idaho State University, in cooperation with the U.S. Department of Energy, conducted a study to determine strontium distribution coefficients (Kds) of surficial sediments at the Idaho National Engineering and Environmental Laboratory (INEEL). Batch experimental techniques were used to determine experimental Kds of 20 surficial-sediment samples from the INEEL. The Kds describe the distribution of a solute between the solution and solid phase. A best-fit model was obtained using a four-variable data set consisting of surface area, manganese oxide concentration, specific conductance, and pH. Application of the model to an independent split of the data resulted in an average relative error of prediction of 20 percent and a correlation coefficient of 0.921 between predicted and observed strontium Kds. Chemical and physical characteristics of the solution and sediment that could successfully predict the Kd values were identified. Prediction variable select ion was limited to variables which are either easily determined or have available tabulated characteristics. The selection criterion could circumvent the need for time- and labor-intensive laboratory experiments and provide an alternate faster method for estimating strontium Kds.

  19. A Microfluidic Platform for the Rapid Determination of Distribution Coefficients by Gravity-Assisted Droplet-Based Liquid-Liquid Extraction.

    PubMed

    Poulsen, Carl Esben; Wootton, Robert C R; Wolff, Anders; deMello, Andrew J; Elvira, Katherine S

    2015-06-16

    The determination of pharmacokinetic properties of drugs, such as the distribution coefficient (D) is a crucial measurement in pharmaceutical research. Surprisingly, the conventional (gold standard) technique used for D measurements, the shake-flask method, is antiquated and unsuitable for the testing of valuable and scarce drug candidates. Herein, we present a simple microfluidic platform for the determination of distribution coefficients using droplet-based liquid-liquid extraction. For simplicity, this platform makes use of gravity to enable phase separation for analysis and is 48 times faster and uses 99% less reagents than performing an equivalent measurement using the shake-flask method. Furthermore, the D measurements achieved in our platform are in good agreement with literature values measured using traditional shake-flask techniques. Since D is affected by volume ratios, we use the apparent acid dissociation constant, pK', as a proxy for intersystem comparison. Our platform determines a pK' value of 7.24 ± 0.15, compared to 7.25 ± 0.58 for the shake-flask method in our hands and 7.21 for the shake-flask method in the literature. Devices are fabricated using injection molding, the batchwise fabrication time is <2 min per device (at a cost of $1 U.S. per device), and the interdevice reproducibility is high.

  20. A Microfluidic Platform for the Rapid Determination of Distribution Coefficients by Gravity-Assisted Droplet-Based Liquid-Liquid Extraction.

    PubMed

    Poulsen, Carl Esben; Wootton, Robert C R; Wolff, Anders; deMello, Andrew J; Elvira, Katherine S

    2015-06-16

    The determination of pharmacokinetic properties of drugs, such as the distribution coefficient (D) is a crucial measurement in pharmaceutical research. Surprisingly, the conventional (gold standard) technique used for D measurements, the shake-flask method, is antiquated and unsuitable for the testing of valuable and scarce drug candidates. Herein, we present a simple microfluidic platform for the determination of distribution coefficients using droplet-based liquid-liquid extraction. For simplicity, this platform makes use of gravity to enable phase separation for analysis and is 48 times faster and uses 99% less reagents than performing an equivalent measurement using the shake-flask method. Furthermore, the D measurements achieved in our platform are in good agreement with literature values measured using traditional shake-flask techniques. Since D is affected by volume ratios, we use the apparent acid dissociation constant, pK', as a proxy for intersystem comparison. Our platform determines a pK' value of 7.24 ± 0.15, compared to 7.25 ± 0.58 for the shake-flask method in our hands and 7.21 for the shake-flask method in the literature. Devices are fabricated using injection molding, the batchwise fabrication time is <2 min per device (at a cost of $1 U.S. per device), and the interdevice reproducibility is high. PMID:25984969

  1. Evaluation of distribution coefficients and concentration ratios of (90)Sr and (137)Cs in the Techa River and the Miass River.

    PubMed

    Shishkina, E A; Pryakhin, E A; Popova, I Ya; Osipov, D I; Tikhova, Yu; Andreyev, S S; Shaposhnikova, I A; Egoreichenkov, E A; Styazhkina, E V; Deryabina, L V; Tryapitsina, G A; Melnikov, V; Rudolfsen, G; Teien, H-C; Sneve, M K; Akleyev, A V

    2016-07-01

    Empirical data on the behavior of radionuclides in aquatic ecosystems are needed for radioecological modeling, which is commonly used for predicting transfer of radionuclides, estimating doses, and assessing possible adverse effects on species and communities. Preliminary studies of radioecological parameters including distribution coefficients and concentration ratios, for (90)Sr and (137)Cs were not in full agreement with the default values used in the ERICA Tool and the RESRAD BIOTA codes. The unique radiation situation in the Techa River, which was contaminated by long-lived radionuclides ((90)Sr and (137)Cs) in the middle of the last century allows improved knowledge about these parameters for river systems. Therefore, the study was focused on the evaluation of radioecological parameters (distribution coefficients and concentration ratios for (90)Sr and (137)Cs) for the Techa River and the Miass River, which is assumed as a comparison waterbody. To achieve the aim the current contamination of biotic and abiotic components of the river ecosystems was studied; distribution coefficients for (90)Sr and (137)Cs were calculated; concentration ratios of (90)Sr and (137)Cs for three fish species (roach, perch and pike), gastropods and filamentous algae were evaluated. Study results were then compared with default values available for use in the well-known computer codes ERICA Tool and RESRAD BIOTA (when site-specific data are not available). We show that the concentration ratios of (137)Cs in whole fish bodies depend on the predominant type of nutrition (carnivores and phytophagous). The results presented here are useful in the context of improving of tools for assessing concentrations of radionuclides in biota, which could rely on a wider range of ecosystem information compared with the process limited the current versions of ERICA and RESRAD codes. Further, the concentration ratios of (90)Sr are species-specific and strongly dependent on Ca(2+) concentration in

  2. Characterization of 200-UP-1 and 200-ZP-1 Operable Unit Aquifer Sediments and Batch Adsorption Distribution Coefficients for Contaminants of Concern--Fiscal Year 2006 Progress

    SciTech Connect

    Um, Wooyong; Serne, R. Jeffrey

    2006-09-25

    A total of six core samples from 200-UP/ZP-1 OUs and two additional outcrop samples were characterized during FY2006 by PNNL. One sample (C4971) was identified as slough and not used, but the five other samples identified as intact core samples were used for further analyses. The C4977 sample is gravel-sandy silt and C4990 samples are fine-sandy silt from the Ringold formation. Although the sediments from these two boreholes have similar mineralogical composition, C4990 samples show higher values of Fe oxide content, clay/silt content, and surface area compared those in C4977. The measured Tc Kd values ranged 0–0.2 mg/L for both samples, while U(VI) Kd for C4990 (4.23 mg/L) is much higher than that for C4977 (0.76 mg/L). A key finding from the Kd measurements is that detailed sediment and pore water characterization is necessary to understand the variation in Kd values seen in the empirical batch tests. Without the ancillary characterization of the sediments and pore waters, one might form misleading interpretations of the mechanisms that control the Kd values. Thus, physical, geochemical, and hydrological characterization of the sediments and pore waters should be conducted to increase our understanding of the site-specific Kd measurements. More details for methods and results will be provided in the formal technical report in FY 2007.

  3. Water-solvent partition coefficients and Delta Log P values as predictors for blood-brain distribution; application of the Akaike information criterion.

    PubMed

    Abraham, Michael H; Acree, William E; Leo, Albert J; Hoekman, David; Cavanaugh, Joseph E

    2010-05-01

    It is shown that log P values for water-alkane or water-cyclohexane partitions, and the corresponding Delta log P values when used as descriptors for blood-brain distribution, as log BB, yield equations with very poor correlation coefficients but very good standard deviations, S from 0.25 to 0.33 log units. Using quite large data sets, we have verified that similar S-values apply to predictions of log BB. A suggested model, based on log P for water-dodecane and water-hexadecane partition coefficients, has 109 data points and a fitted S = 0.254 log units. It is essential to include in the model an indicator variable for volatile compounds, and an indicator variable for drugs that contain the carboxylic group. A similar equation based on water-chloroform partition coefficients has 83 data points and a fitted S = 0.287 log units. We can find no causal connection between these log P values and log BB in terms of correlation or in terms of chemical similarity, but conclude that the log P descriptor will yield excellent predictions of log BB provided that predictions are within the chemical space of the compounds used to set up the model. We also show that model based on log P(octanol) and an Abraham descriptor provides a simple and easy method of predicting log BB with an error of no more than 0.31 log units. We have used the Akaike information criterion to investigate the most economic models for log BB.

  4. Biophysical studies of the interaction of squalamine and other cationic amphiphilic molecules with bacterial and eukaryotic membranes: importance of the distribution coefficient in membrane selectivity.

    PubMed

    Di Pasquale, Eric; Salmi-Smail, Chanaz; Brunel, Jean-Michel; Sanchez, Patrick; Fantini, Jacques; Maresca, Marc

    2010-02-01

    The interaction of squalamine (SQ) with eukaryotic and prokaryotic membranes was studied and compared with the interaction of two other cationic amphipathic antimicrobials (CAAs), i.e. the antibiotic polymyxin B (PMB) and the detergent hexadecyltrimethylammonium bromide (CTAB). Whole cell experiments showed that the three CAA have in common the ability to interact with lipopolysaccharide-containing membranes through a divalent cation sensitive process. Differences were found regarding their kinetics of membrane permeabilisation and their selectivity for bacteria, with a preferential permeabilisation of bacteria by PMB>SQ and no selectivity for CTAB. Experiments with lipid monolayers and bilayers showed that this selectivity did not correlate with a preferential interaction of the CAAs with lipids but rather relies on differences in their ability to penetrate lipid bilayers and to cause electrically active lesions. Incidentally, our results also suggest that the distribution coefficient of CAAs could be used to predict their selectivity for bacteria. PMID:19883637

  5. Can carbon surface oxidation shift the pore size distribution curve calculated from Ar, N2 and CO2 adsorption isotherms? Simulation results for a realistic carbon model

    NASA Astrophysics Data System (ADS)

    Furmaniak, Sylwester; Terzyk, Artur P.; Gauden, Piotr A.; Harris, Peter J. F.; Kowalczyk, Piotr

    2009-08-01

    Using the virtual porous carbon model proposed by Harris et al, we study the effect of carbon surface oxidation on the pore size distribution (PSD) curve determined from simulated Ar, N2 and CO2 isotherms. It is assumed that surface oxidation is not destructive for the carbon skeleton, and that all pores are accessible for studied molecules (i.e., only the effect of the change of surface chemical composition is studied). The results obtained show two important things, i.e., oxidation of the carbon surface very slightly changes the absolute porosity (calculated from the geometric method of Bhattacharya and Gubbins (BG)); however, PSD curves calculated from simulated isotherms are to a greater or lesser extent affected by the presence of surface oxides. The most reliable results are obtained from Ar adsorption data. Not only is adsorption of this adsorbate practically independent from the presence of surface oxides, but, more importantly, for this molecule one can apply the slit-like model of pores as the first approach to recover the average pore diameter of a real carbon structure. For nitrogen, the effect of carbon surface chemical composition is observed due to the quadrupole moment of this molecule, and this effect shifts the PSD curves compared to Ar. The largest differences are seen for CO2, and it is clearly demonstrated that the PSD curves obtained from adsorption isotherms of this molecule contain artificial peaks and the average pore diameter is strongly influenced by the presence of electrostatic adsorbate-adsorbate as well as adsorbate-adsorbent interactions.

  6. Can carbon surface oxidation shift the pore size distribution curve calculated from Ar, N(2) and CO(2) adsorption isotherms? Simulation results for a realistic carbon model.

    PubMed

    Furmaniak, Sylwester; Terzyk, Artur P; Gauden, Piotr A; Harris, Peter J F; Kowalczyk, Piotr

    2009-08-01

    Using the virtual porous carbon model proposed by Harris et al, we study the effect of carbon surface oxidation on the pore size distribution (PSD) curve determined from simulated Ar, N(2) and CO(2) isotherms. It is assumed that surface oxidation is not destructive for the carbon skeleton, and that all pores are accessible for studied molecules (i.e., only the effect of the change of surface chemical composition is studied). The results obtained show two important things, i.e., oxidation of the carbon surface very slightly changes the absolute porosity (calculated from the geometric method of Bhattacharya and Gubbins (BG)); however, PSD curves calculated from simulated isotherms are to a greater or lesser extent affected by the presence of surface oxides. The most reliable results are obtained from Ar adsorption data. Not only is adsorption of this adsorbate practically independent from the presence of surface oxides, but, more importantly, for this molecule one can apply the slit-like model of pores as the first approach to recover the average pore diameter of a real carbon structure. For nitrogen, the effect of carbon surface chemical composition is observed due to the quadrupole moment of this molecule, and this effect shifts the PSD curves compared to Ar. The largest differences are seen for CO(2), and it is clearly demonstrated that the PSD curves obtained from adsorption isotherms of this molecule contain artificial peaks and the average pore diameter is strongly influenced by the presence of electrostatic adsorbate-adsorbate as well as adsorbate-adsorbent interactions. PMID:21828590

  7. Adsorption and co-adsorption of diclofenac and Cu(II) on calcareous soils.

    PubMed

    Graouer-Bacart, Mareen; Sayen, Stéphanie; Guillon, Emmanuel

    2016-02-01

    Pharmaceuticals are emerging contaminants and their presence in different compartments of the environment has been detected in many countries. In this study, laboratory batch experiments were conducted to characterize the adsorption of diclofenac, a widely used non-steroidal anti-inflammatory drug, on six calcareous soils. The adsorption of diclofenac was relatively low, which may lead to a risk of groundwater contamination and plant uptake. A correlation between the soil-water distribution coefficient Kd and soil characteristics has been highlighted. Indeed, diclofenac adsorption as a function of soil organic matter content (% OM) and Rt=% CaCO3/% OM was successfully described through a simple empirical model, indicating the importance of considering the inhibiting effect of CaCO3 on OM retention properties for a better assessment of diclofenac fate in the specific case of calcareous soils. The simultaneous co-adsorption of diclofenac and copper - a ubiquitous pollutant in the environment - at the water/soil interface, was also investigated. It appeared quite unexpectedly that copper did not have a significant influence on diclofenac retention.

  8. Adsorption of organic chemicals in soils.

    PubMed Central

    Calvet, R

    1989-01-01

    This paper presents a review on adsorption of organic chemicals on soils sediments and their constituents. The first part of this review deals with adsorption from gas and liquid phases and gives a discussion on the physical meaning of the shape of adsorption isotherms. Results show that no general rules can be proposed to describe univocally the relation between the shape of isotherms and the nature of adsorbate-adsorbent system. Kinetics of adsorption is discussed through the description of various models. Theoretical developments exist both for the thermodynamics and the kinetics of adsorption, but there is a strong need for experimental results. Possible adsorption mechanisms are ion exchange, interaction with metallic cations, hydrogen bonds, charge transfers, and London-van der Waals dispersion forces/hydrophobic effect. However, direct proofs of a given mechanism are rare. Several factors influence adsorption behavior. Electronic structure of adsorbed molecules, properties of adsorbents, and characteristics of the liquid phase are discussed in relation to adsorption. Such properties as water solubility, organic carbon content of adsorbing materials, and the composition of the liquid phase are particularly important. Evaluation of adsorption can be obtained through either laboratory measurements or use of several correlations. Adsorption measurements must be interpreted, taking into account treatment of adsorbent materials, experimental conditions, and secondary phenomena such as degradations. Correlations between adsorption coefficients and water-octanol partition coefficient or water solubility are numerous. They may be useful tools for prediction purposes. Relations with transport, bioavailability, and degradation are described. PMID:2695323

  9. Adsorption of organic chemicals in soils.

    PubMed

    Calvet, R

    1989-11-01

    This paper presents a review on adsorption of organic chemicals on soils sediments and their constituents. The first part of this review deals with adsorption from gas and liquid phases and gives a discussion on the physical meaning of the shape of adsorption isotherms. Results show that no general rules can be proposed to describe univocally the relation between the shape of isotherms and the nature of adsorbate-adsorbent system. Kinetics of adsorption is discussed through the description of various models. Theoretical developments exist both for the thermodynamics and the kinetics of adsorption, but there is a strong need for experimental results. Possible adsorption mechanisms are ion exchange, interaction with metallic cations, hydrogen bonds, charge transfers, and London-van der Waals dispersion forces/hydrophobic effect. However, direct proofs of a given mechanism are rare. Several factors influence adsorption behavior. Electronic structure of adsorbed molecules, properties of adsorbents, and characteristics of the liquid phase are discussed in relation to adsorption. Such properties as water solubility, organic carbon content of adsorbing materials, and the composition of the liquid phase are particularly important. Evaluation of adsorption can be obtained through either laboratory measurements or use of several correlations. Adsorption measurements must be interpreted, taking into account treatment of adsorbent materials, experimental conditions, and secondary phenomena such as degradations. Correlations between adsorption coefficients and water-octanol partition coefficient or water solubility are numerous. They may be useful tools for prediction purposes. Relations with transport, bioavailability, and degradation are described.

  10. Isotherms for adsorption of cellobiohydrolase I and II from Trichoderma reesei on microcrystalline cellulose

    SciTech Connect

    Medve, J.; Tjerneld, F.; Stahlberg, J.

    1997-04-01

    Adsorption to microcrystalline cellulose (Avicel) of pure cellobiohydrolase I and II (CBH I and CBH II) from Trichoderma reesei has been studied. Adsorption isotherms of the enzymes were measured at 4{degree}C using CBH I and CBH II alone and in reconstituted equimolar mixtures. Several models (Langmuir, Freundlich, Temkin, Jovanovic) were tested to describe the experimental adsorption isotherms. The isotherms did not follow the basic (one site) Langmuir equation that has often been used to describe adsorption isotherms of cellulases; correlation coefficients (R{sup 2}) were only 0.926 and 0.947, for CBH I and II, respectively. The experimental isotherms were best described by a model of Langmuir type with two adsorption sites and by a combined Langmuir-Freundlich model (analogous to the Hill equation); using these models the correlation coefficients were in most cases higher than 0.995. Apparent binding parameters derived from the two sites Langmuir model indicated stronger binding of CBH II compared to CBH I; the distribution coefficients were 20.7 and 3.7 L/g for the two enzymes, respectively. The binding capacity was higher for CBH I than for CBH II. The isotherms when analyzed with the combined model indicated presence of unequal binding sites on cellulose and/or negative cooperativity in the binding of the enzyme molecules. 39 refs., 3 figs., 3 tabs.

  11. The Applicability of the Distribution Coefficient, KD, Based on Non-Aggregated Particulate Samples from Lakes with Low Suspended Solids Concentrations.

    PubMed

    Gormley-Gallagher, Aine Marie; Douglas, Richard William; Rippey, Brian

    2015-01-01

    Separate phases of metal partitioning behaviour in freshwater lakes that receive varying degrees of atmospheric contamination and have low concentrations of suspended solids were investigated to determine the applicability of the distribution coefficient, KD. Concentrations of Pb, Ni, Co, Cu, Cd, Cr, Hg and Mn were determined using a combination of filtration methods, bulk sample collection and digestion and Inductively Coupled Plasma-Mass Spectrometry (ICP-MS). Phytoplankton biomass, suspended solids concentrations and the organic content of the sediment were also analysed. By distinguishing between the phytoplankton and (inorganic) lake sediment, transient variations in KD were observed. Suspended solids concentrations over the 6-month sampling campaign showed no correlation with the KD (n = 15 for each metal, p > 0.05) for Mn (r2 = 0.0063), Cu (r2 = 0.0002, Cr (r2 = 0.021), Ni (r2 = 0.0023), Cd (r2 = 0.00001), Co (r2 = 0.096), Hg (r2 = 0.116) or Pb (r2 = 0.164). The results implied that colloidal matter had less opportunity to increase the dissolved (filter passing) fraction, which inhibited the spurious lowering of KD. The findings conform to the increasingly documented theory that the use of KD in modelling may mask true information on metal partitioning behaviour. The root mean square error of prediction between the directly measured total metal concentrations and those modelled based on the separate phase fractions were ± 3.40, 0.06, 0.02, 0.03, 0.44, 484.31, 80.97 and 0.1 μg/L for Pb, Cd, Mn, Cu, Hg, Ni, Cr and Co respectively. The magnitude of error suggests that the separate phase models for Mn and Cu can be used in distribution or partitioning models for these metals in lake water.

  12. The Applicability of the Distribution Coefficient, KD, Based on Non-Aggregated Particulate Samples from Lakes with Low Suspended Solids Concentrations

    PubMed Central

    Gormley-Gallagher, Aine Marie; Douglas, Richard William; Rippey, Brian

    2015-01-01

    Separate phases of metal partitioning behaviour in freshwater lakes that receive varying degrees of atmospheric contamination and have low concentrations of suspended solids were investigated to determine the applicability of the distribution coefficient, KD. Concentrations of Pb, Ni, Co, Cu, Cd, Cr, Hg and Mn were determined using a combination of filtration methods, bulk sample collection and digestion and Inductively Coupled Plasma-Mass Spectrometry (ICP-MS). Phytoplankton biomass, suspended solids concentrations and the organic content of the sediment were also analysed. By distinguishing between the phytoplankton and (inorganic) lake sediment, transient variations in KD were observed. Suspended solids concentrations over the 6-month sampling campaign showed no correlation with the KD (n = 15 for each metal, p > 0.05) for Mn (r2 = 0.0063), Cu (r2 = 0.0002, Cr (r2 = 0.021), Ni (r2 = 0.0023), Cd (r2 = 0.00001), Co (r2 = 0.096), Hg (r2 = 0.116) or Pb (r2 = 0.164). The results implied that colloidal matter had less opportunity to increase the dissolved (filter passing) fraction, which inhibited the spurious lowering of KD. The findings conform to the increasingly documented theory that the use of KD in modelling may mask true information on metal partitioning behaviour. The root mean square error of prediction between the directly measured total metal concentrations and those modelled based on the separate phase fractions were ± 3.40, 0.06, 0.02, 0.03, 0.44, 484.31, 80.97 and 0.1 μg/L for Pb, Cd, Mn, Cu, Hg, Ni, Cr and Co respectively. The magnitude of error suggests that the separate phase models for Mn and Cu can be used in distribution or partitioning models for these metals in lake water. PMID:26200885

  13. Proposal for new best estimates for the soil solid-liquid distribution coefficient and soil-to-plant transfer of nickel.

    PubMed

    Vandenhove, Hildegarde; Van Hees, May; Olyslaegers, Geert; Vidal, Miquel

    2009-04-01

    The objective of this study was to compile data, based on an extensive literature survey, for the soil solid-liquid distribution coefficient (K(d)) and soil-to-plant transfer factor (TF) for nickel. The K(d) best estimates were calculated for soils grouped according to texture and organic matter content (sand, loam, clay and organic) and soil cofactors affecting soil-nickel interaction, such as pH, organic matter, and clay content. Variability in K(d) was better explained by pH than by soil texture. Nickel TF estimates were presented for major crop groups (cereals, leafy vegetables, non-leafy vegetables, root crops, tubers, fruits, herbs, pastures/grasses and fodder), and also for plant compartments within crop groups. Transfer factors were also calculated per soil group, as defined by their texture and organic matter content. Furthermore an evaluation of transfer factor dependency on specific soil characteristics was performed following regression analysis. The derived estimates were compared with parameter estimates currently in use.

  14. Proposal for new best estimates for the soil solid-liquid distribution coefficient and soil-to-plant transfer of nickel.

    PubMed

    Vandenhove, Hildegarde; Van Hees, May; Olyslaegers, Geert; Vidal, Miquel

    2009-04-01

    The objective of this study was to compile data, based on an extensive literature survey, for the soil solid-liquid distribution coefficient (K(d)) and soil-to-plant transfer factor (TF) for nickel. The K(d) best estimates were calculated for soils grouped according to texture and organic matter content (sand, loam, clay and organic) and soil cofactors affecting soil-nickel interaction, such as pH, organic matter, and clay content. Variability in K(d) was better explained by pH than by soil texture. Nickel TF estimates were presented for major crop groups (cereals, leafy vegetables, non-leafy vegetables, root crops, tubers, fruits, herbs, pastures/grasses and fodder), and also for plant compartments within crop groups. Transfer factors were also calculated per soil group, as defined by their texture and organic matter content. Furthermore an evaluation of transfer factor dependency on specific soil characteristics was performed following regression analysis. The derived estimates were compared with parameter estimates currently in use. PMID:19223096

  15. Polymer adsorption

    NASA Astrophysics Data System (ADS)

    Joanny, Jean-Francois

    2008-03-01

    The aim of this talk is to review Pierre-Gilles deGennes' work on polymer adsorption and the impact that it has now in our understanding of this problem. We will first present the self-consistent mean-field theory and its applications to adsorption and depletion. De Gennes most important contribution is probably the derivation of the self-similar power law density profile for adsorbed polymer layers that we will present next, emphasizing the differences between the tail sections and the loop sections of the adsorbed polymers. We will then discuss the kinetics of polymer adsorption and the penetration of a new polymer chain in an adsobed layer that DeGennes described very elegantly in analogy with a quantum tunneling problem. Finally, we will discuss the role of polymer adsorption for colloid stabilization.

  16. Diffusion coefficients of Fokker-Planck equation for rotating dust grains in a fusion plasma

    NASA Astrophysics Data System (ADS)

    Bakhtiyari-Ramezani, M.; Mahmoodi, J.; Alinejad, N.

    2015-11-01

    In the fusion devices, ions, H atoms, and H2 molecules collide with dust grains and exert stochastic torques which lead to small variations in angular momentum of the grain. By considering adsorption of the colliding particles, thermal desorption of H atoms and normal H2 molecules, and desorption of the recombined H2 molecules from the surface of an oblate spheroidal grain, we obtain diffusion coefficients of the Fokker-Planck equation for the distribution function of fluctuating angular momentum. Torque coefficients corresponding to the recombination mechanism show that the nonspherical dust grains may rotate with a suprathermal angular velocity.

  17. Diffusion coefficients of Fokker-Planck equation for rotating dust grains in a fusion plasma

    SciTech Connect

    Bakhtiyari-Ramezani, M. Alinejad, N.; Mahmoodi, J.

    2015-11-15

    In the fusion devices, ions, H atoms, and H{sub 2} molecules collide with dust grains and exert stochastic torques which lead to small variations in angular momentum of the grain. By considering adsorption of the colliding particles, thermal desorption of H atoms and normal H{sub 2} molecules, and desorption of the recombined H{sub 2} molecules from the surface of an oblate spheroidal grain, we obtain diffusion coefficients of the Fokker-Planck equation for the distribution function of fluctuating angular momentum. Torque coefficients corresponding to the recombination mechanism show that the nonspherical dust grains may rotate with a suprathermal angular velocity.

  18. Competitive adsorption, release and speciation of heavy metals in the Yellow River sediments, China

    NASA Astrophysics Data System (ADS)

    Fan, Qingyun; He, Jiang; Xue, Hongxi; Lü, Changwei; Liang, Ying; Saruli; Sun, Ying; Shen, Lili

    2007-10-01

    The competitive adsorption and the release of selected heavy metals and their speciation distribution before and after adsorption in the Yellow River sediments are discussed. The adsorption of metals onto sediments increases with increasing pH value and decreases with increasing ionic strength. The competitive coefficient K c and the distribution coefficient K d are obtained to analyze the competitive abilities of selected heavy metals, which are ranked as Pb > Cu >> Zn > Cd. The competition among selected heavy metals becomes more impetuous with increasing ion concentration in water. Speciation analysis was done by an improved analytical procedure involving five steps of sequential extraction. Cu, Pb and Zn were mainly transformed into the carbonate-bound form (50.8-87.7%) in adsorption. Most of (60.7-77.3%) Cd was transformed into the exchangeable form, and the percentage of carbonate-bound Cd was 19.7-30.4%. The release reaction was so quick that the release capacity of selected heavy metals from sediments to aqueous solution reached half of the maximum value only in 30 s. As opposed to adsorption, the release capacities of selected heavy metals were ranked as Cd > Zn >> Cu > Pb. In this study, Cd produces the most severe environmental hazards, because its concentration in the release solution is 85.8 times more than the human health criteria of US EPA.

  19. Sulfate adsorption on goethite

    SciTech Connect

    Rietra, R.P.J.J.; Hiemstra, T.; Riemsdijk, W.H. van

    1999-10-15

    Recent spectroscopic work has suggested that only one surface species of sulfate is dominant on hematite. Sulfate is therefore a very suitable anion to test and develop adsorption models for variable charge minerals. The authors have studied sulfate adsorption on goethite covering a large range of sulfate concentrations, surface coverages, pH values, and electrolyte concentrations. Four different techniques were used to cover the entire range of conditions. For characterization at low sulfate concentrations, below the detection limit of sulfate with ICP-AES, the authors used proton-sulfate titrations at constant pH. Adsorption isotherms were studied for the intermediate sulfate concentration range. Acid-base titrations in sodium sulfate and electromobility were used for high sulfate concentrations. All the data can be modeled with one adsorbed species if it is assumed that the charge of adsorbed sulfate is spatially distributed in the interface. The charge distribution of sulfate follows directly from modeling the proton-sulfate adsorption stoichoimemtry sine this stoichiometry is independent of the intrinsic affinity constant of sulfate. The charge distribution can be related to the structure of the surface complex by use of the Pauling bond valence concept and is in accordance with the microscopic structure found by spectroscopy. The intrinsic affinity constant follows from the other measurements. Modeling of the proton-ion stoichoimetry with the commonly used 2-pK models, where adsorbed ions are treated as point charges, is possible only if at least two surface species for sulfate are used.

  20. Adsorption of Rh(III) complexes from chloride solutions obtained by leaching chlorinated spent automotive catalysts on ion-exchange resin Diaion WA21J.

    PubMed

    Shen, Shaobo; Pan, Tonglin; Liu, Xinqiang; Yuan, Lei; Wang, Jinchao; Zhang, Yongjian; Guo, Zhanchen

    2010-07-15

    It was found that Rh, Pd and Pt contained in the spent ceramic automotive catalysts could be effectively extracted by dry chlorination with chlorine. In order to concentrate Rh(III) ions contained in the chloride solutions obtained, thermodynamic and kinetics studies for adsorption of Rh(III) complexes from the chloride solutions on an anionic exchange resin Diaion WA21J were carried out. Rh, Pd, Pt, Al, Fe, Si, Zn and Pb from the chloride solution could be adsorbed on the resin. The distribution coefficients (K(d)) of Rh(III) decreased with the increase in initial Rh(III) concentration or in adsorption temperature. The isothermal adsorption of Rh(III) was found to fit Langmuir, Freundlich and Dubinin-Kaganer-Radushkevich models under the adsorption conditions. The maximum monolayer adsorption capacities Q(max) based on Langmuir adsorption isotherms were 6.39, 6.61 and 5.81 mg/g for temperatures 18, 28 and 40 degrees C, respectively. The apparent adsorption energy of Rh was about -7.6 kJ/mol and thus Rh(III) adsorption was a physical type. The experimental data obtained could be better simulated by pseudo-first-order kinetic model and the activation energy obtained was 6.54 J/mol. The adsorption rate of Rh(III) was controlled by intraparticle diffusion in most of time of adsorption process.

  1. Adsorption of Rh(III) complexes from chloride solutions obtained by leaching chlorinated spent automotive catalysts on ion-exchange resin Diaion WA21J.

    PubMed

    Shen, Shaobo; Pan, Tonglin; Liu, Xinqiang; Yuan, Lei; Wang, Jinchao; Zhang, Yongjian; Guo, Zhanchen

    2010-07-15

    It was found that Rh, Pd and Pt contained in the spent ceramic automotive catalysts could be effectively extracted by dry chlorination with chlorine. In order to concentrate Rh(III) ions contained in the chloride solutions obtained, thermodynamic and kinetics studies for adsorption of Rh(III) complexes from the chloride solutions on an anionic exchange resin Diaion WA21J were carried out. Rh, Pd, Pt, Al, Fe, Si, Zn and Pb from the chloride solution could be adsorbed on the resin. The distribution coefficients (K(d)) of Rh(III) decreased with the increase in initial Rh(III) concentration or in adsorption temperature. The isothermal adsorption of Rh(III) was found to fit Langmuir, Freundlich and Dubinin-Kaganer-Radushkevich models under the adsorption conditions. The maximum monolayer adsorption capacities Q(max) based on Langmuir adsorption isotherms were 6.39, 6.61 and 5.81 mg/g for temperatures 18, 28 and 40 degrees C, respectively. The apparent adsorption energy of Rh was about -7.6 kJ/mol and thus Rh(III) adsorption was a physical type. The experimental data obtained could be better simulated by pseudo-first-order kinetic model and the activation energy obtained was 6.54 J/mol. The adsorption rate of Rh(III) was controlled by intraparticle diffusion in most of time of adsorption process. PMID:20346581

  2. Adsorption of polar, nonpolar, and substituted aromatics to colloidal graphene oxide nanoparticles.

    PubMed

    Wang, Fang; Haftka, Joris J-H; Sinnige, Theo L; Hermens, Joop L M; Chen, Wei

    2014-03-01

    We conducted batch adsorption experiments to understand the adsorptive properties of colloidal graphene oxide nanoparticles (GONPs) for a range of environmentally relevant aromatics and substituted aromatics, including model nonpolar compounds (pyrene, phenanthrene, naphthalene, and 1,3-dichlorobenzene) and model polar compounds (1-naphthol, 1-naphthylamine, 2,4-dichlorophenol, and 2,4-dinitrotoluene). GONPs exhibited strong adsorption affinities for all the test compounds, with distribution coefficients on the order of 10(3)-10(6) L/kg. Adsorption to GONPs is much more linear than to carbon nanotubes (CNTs) and C60, likely because GO nanoflakes are essentially individually dispersed (rendering adsorption sites of similar adsorption energy) whereas CNT/C60 are prone to bundling/aggregation. For a given compound GONPs and CNTs often exhibit different adsorption affinities, which is attributable to the differences in both the morphology and surface chemistry between the two nanomaterials. Particularly, the high surface O-content of GONPs enables strong H-bonding and Lewis acid-base interactions with hydroxyl- and amino-substituted aromatics.

  3. A review of the distribution coefficients of trace elements in soils: influence of sorption system, element characteristics, and soil colloidal properties.

    PubMed

    Shaheen, Sabry M; Tsadilas, Christos D; Rinklebe, Jörg

    2013-12-01

    Knowledge about the behavior and reactions of separate soil components with trace elements (TEs) and their distribution coefficients (Kds) in soils is a key issue in assessing the mobility and retention of TEs. Thus, the fate of TEs and the toxic risk they pose depend crucially on their Kd in soil. This article reviews the Kd of TEs in soils as affected by the sorption system, element characteristics, and soil colloidal properties. The sorption mechanism, determining factors, favorable conditions, and competitive ions on the sorption and Kd of TEs are also discussed here. This review demonstrates that the Kd value of TEs does not only depend on inorganic and organic soil constituents, but also on the nature and characteristics of the elements involved as well as on their competition for sorption sites. The Kd value of TEs is mainly affected by individual or competitive sorption systems. Generally, the sorption in competitive systems is lower than in mono-metal sorption systems. More strongly sorbed elements, such as Pb and Cu, are less affected by competition than mobile elements, such as Cd, Ni, and Zn. The sorption preference exhibited by soils for elements over others may be due to: (i) the hydrolysis constant, (ii) the atomic weight, (iii) the ionic radius, and subsequently the hydrated radius, and (iv) its Misono softness value. Moreover, element concentrations in the test solution mainly affect the Kd values. Mostly, values of Kd decrease as the concentration of the included cation increases in the test solution. Additionally, the Kd of TEs is controlled by the sorption characteristics of soils, such as pH, clay minerals, soil organic matter, Fe and Mn oxides, and calcium carbonate. However, more research is required to verify the practical utilization of studying Kd of TEs in soils as a reliable indicator for assessing the remediation process of toxic metals in soils and waters.

  4. Distribution coefficients (Kd) of strontium and significance of oxides and organic matter in controlling its partitioning in coastal regions of Japan.

    PubMed

    Takata, Hyoe; Tagami, Keiko; Aono, Tatsuo; Uchida, Shigeo

    2014-08-15

    The Fukushima Daiichi Nuclear Power Plant accident in March 2011 resulted in the release of large quantities of a long-lived radioactive strontium (i.e. (90)Sr; half-life: 28.8 y) into the coastal areas of Japan. (90)Sr release was dispersed and mixed into the water column, and will eventually be deposited into sediment. Because factors controlling seawater-sediment partitioning in the coastal marine environments are not fully understood, we developed seawater-sediment distribution coefficients, Kd (L/kg), for Sr in coastal regions of Japan by means of sediment-water partitioning experiments. (85)Sr was used as a radiotracer and conditions were designed to mimic the environmental systems of the sampling sites as closely as possible. Experimentally determined Kd values (Kd-ex) varied between 0.3 and 3.3 L/kg (mean, 1.4 L/kg), and the variation in Kd-ex was attributed to the percentage of Sr in the exchangeable fraction in the sediment. Kd-ex values were used, along with the measured concentrations of (88)Sr, a stable naturally occurring Sr isotope in seawater and sediment, to estimate the concentrations of exchangeable Sr in the sediment. Estimates ranged from 2.1 to 24.3 μg/kg, or 1.3-15.7% of the total (88)Sr concentration in the sediment. Significant correlations existed between the estimated concentrations of exchangeable Sr, and the organic matter and the oxide/hydrous oxide contents. When organic contents were greater than 0.38%, Sr binds to organic surface sites more strongly than to the other sites. Results indicate that binding of Sr to the surface of sedimentary particles was influenced by grain size, iron and manganese oxides, and organic matter. Furthermore, the information presented here could be useful to estimate Kd values for anthropogenic (90)Sr in sediment in the coastal marine environment.

  5. Evaluating the Use of MODIS AOD for Air Quality Determination by Comparison with the Vertical Distribution of Aerosol Light Scattering Coefficient Obtained with a Balloon-Borne Nephelometer

    NASA Astrophysics Data System (ADS)

    Sumlin, B.; Arnott, W. P.; Moosmuller, H.

    2012-12-01

    The MODIS instruments aboard the Aqua and Terra satellites provide aerosol optical depth information for the entire Earth on a daily basis. Ideally, satellite measurements should correlate with ground-based measurements in order to be useful for air quality applications. Reno, Nevada, USA is a high desert city situated in the Great Basin. Its unique geography and proximity to urban and biomass burning aerosol sources make it an ideal candidate for aerosol research. In August 2011, the Reno Aerosol Characterization Experiment measured atmospheric aerosols with a ground-based Cimel CE-318 sun-photometer and in situ photoacoustic instrumentation to quantify aerosol concentrations at the surface and in the column. However, the results of these measurements indicated the existence of a more complex system of aerosol mixing above the atmospheric boundary layer than previously thought. In order to validate these measurements, an autonomous suite of instrumentation has been developed. This device is carried aloft by a weather balloon and utilizes a reciprocal nephelometer to obtain a high-resolution profile of the vertical distribution of aerosol light scattering coefficient, as well as instrumentation to record atmospheric variables such as temperature, pressure, relative humidity, and dew point. Position, course, speed, and altitude are logged with an onboard GPS module and correlated with atmospheric and aerosol measurements. Presented is the design and development of this new instrument, its comparison with proven laboratory instruments, data gathered from flights during August-November 2012, and its comparison to ground-based measurements and satellite data from the MODIS instruments.

  6. Visualization and Measurement of Adsorption/Desorption Process of Ethanol in Activated Carbon Adsorber

    NASA Astrophysics Data System (ADS)

    Asano, Hitoshi; Murata, Kenta; Takenaka, Nobuyuki; Saito, Yasushi

    Adsorption refrigerator is one of the efficient tools for waste heat recovery, because the system is driven by heat at relative low temperature. However, the coefficient of performance is low due to its batch operation and the heat capacity of the adsorber. In order to improve the performance, it is important to optimize the configuration to minimize the amount of driving heat, and to clarify adsorption/desorption phenomena in transient conditions. Neutron radiography was applied to visualize and measure the adsorption amount distribution in an adsorber. The visualization experiments had been performed at the neutron radiography facility of E-2 port of Kyoto University Research Reactor. Activated carbon and ethanol were used as the adsorbent and refrigerant. From the acquired radiographs, adsorption amount was quantitatively measured by applying the umbra method using a checkered neutron absorber with boron powder. Then, transient adsorption and desorption processes of a rectangular adsorber with 84 mm in width, 50 mm in height and 20 mm in depth were visualized. As the result, the effect of fins in the adsorbent layer on the adsorption amount distribution was clearly visualized.

  7. Effects of Porous Polystyrene Resin Parameters on Candida antarctica Lipase B Adsorption, Distribution, and Polyester Synthesis Activity

    SciTech Connect

    Chen,B.; Miller, M.; Gross, R.

    2007-01-01

    Polystyrene resins with varied particle sizes (35 to 350-600 {mu}m) and pore diameters (300-1000 {angstrom}) were employed to study the effects of immobilization resin particle size and pore diameter on Candida antarctica Lipase B (CALB) loading, distribution within resins, fraction of active sites, and catalytic properties for polyester synthesis. CALB adsorbed rapidly (saturation time {<=}4 min) for particle sizes 120 {mu}m (pore size = 300 {angstrom}). Infrared microspectroscopy showed that CALB forms protein loading fronts regardless of resin particle size at similar enzyme loadings ({approx}8%). From the IR images, the fractions of total surface area available to the enzyme are 21, 33, 35, 37, and 88% for particle sizes 350-600, 120, 75, 35 {mu}m (pore size 300 {angstrom}), and 35 {mu}m (pore size 1000 {angstrom}), respectively. Titration with methyl p-nitrophenyl n-hexylphosphate (MNPHP) showed that the fraction of active CALB molecules adsorbed onto resins was {approx}60%. The fraction of active CALB molecules was invariable as a function of resin particle and pore size. At {approx}8% (w/w) CALB loading, by increasing the immobilization support pore diameter from 300 to 1000 {angstrom}, the turnover frequency (TOF) of {var_epsilon}-caprolactone ({var_epsilon}-CL) to polyester increased from 12.4 to 28.2 s{sup -1}. However, the {var_epsilon}-CL conversion rate was not influenced by changes in resin particle size. Similar trends were observed for condensation polymerizations between 1,8-octanediol and adipic acid. The results herein are compared to those obtained with a similar series of methyl methacrylate resins, where variations in particle size largely affected CALB distribution within resins and catalyst activity for polyester synthesis.

  8. Effect of soil type and organic manure on adsorption-desorption of flubendiamide.

    PubMed

    Das, Shaon Kumar; Mukherjee, Irani; Kumar, Aman

    2015-07-01

    Laboratory study on adsorption-desorption of flubendiamide was conducted in two soil types, varying in their physical and chemical properties, by batch equilibrium method. After 4 h of equilibrium time, adsorption of flubendiamide on soil matrix exhibited moderately low rate of accumulation with 4.52 ± 0.21% in red soil and low rate with 3.55 ± 0.21% in black soil. After amending soils with organic manure, adsorption percentage increased to 6.42 ± 0.21% in red soil and (4.18 ± 0.21%) in black soil indicating that amendment significantly increased sorption. Variation in sorption affinities of the soils as indicated by distribution coefficient (K d) for sorption was in the range of 2.98-4.32, 4.91-6.64, 1.04-1.45 and 1.92-2.81 ml/g for red soil, organic manure-treated red soil, black soil and organic manure-treated black soil, respectively. Desorption was slightly slower than adsorption indicating a hysteresis effect having hysteresis coefficient ranges between 0.023 and 0.149 in two test soils. The adsorption data for the insecticide fitted well the Freundlich equation. Results revealed that adsorption-desorption was influenced by soil types and showed that the maximum sorption and minimum desorption of the insecticide was observed in soils with higher organic carbon and clay content. It can be inferred that crystal lattice of the clay soil plays a significant role in flubendiamide adsorption and desorption. Adsorption was lower at acidic pH and gradually increased towards alkaline pH. As this insecticide is poorly sorbed in the two Indian soil types, there may be a possibility of their leaching to lower soil profiles.

  9. Factors affecting the adsorption of xenon on activated carbon

    SciTech Connect

    Underhill, D.W.; DiCello, D.C.; Scaglia, L.A.; Watson, J.A.

    1986-08-01

    The presence of water vapor was found to interfere strongly with the dynamic adsorption of /sup 133/Xe on coconut-base activated charcoal. The percent loss in the xenon adsorption coefficient was similar to values reported earlier for the adsorption of krypton on humidified charcoal. Attempts to increase the adsorption of xenon by (a) using a petroleum-based adsorbent with an extremely high surface area and (b) by impregnation of the adsorbent with iodine were not successful.

  10. Ibuprofen adsorption in four agricultural volcanic soils.

    PubMed

    Estevez, Esmeralda; Hernandez-Moreno, Jose Manuel; Fernandez-Vera, Juan Ramon; Palacios-Diaz, Maria Pino

    2014-01-15

    Ibuprofen (IB) is a high environmental risk drug and one of the most frequently prescribed in human medicine. Recently, IB has been detected in Gran Canaria in reclaimed water for irrigation and in groundwater. Adsorption was studied in four volcanic soils from three islands of the Canarian Archipelago. Once the biodegradation process has been excluded from the experimental conditions, a batch method was applied using initial concentrations of 1-5-10-20-50-100-200 mg L(-1) and two soil/water ratios (w/V): 1:5 (OECD, 2000) and 1:1. Non-linear and linearized Langmuir and Freundlich equations were well fitted. The wide IB range tested in our batch studies allowed us to measure experimental adsorption values close to the maximum adsorption capacity (S(max)) as estimated by Langmuir, making it possible thereby to validate the use of the Langmuir equation when there is a burst of contamination at high concentration. The distribution coefficient (Kd), S(max) and Retardation Factor (RF) varied from 0.04 to 0.5 kg L(-1), 4-200 mgk g(-1) and 1.2-1.9, respectively. The lowest S(max) and Kd values were found for the 1:1S/W ratio whereas most batch studies employ 1:5S/W ratios, thus obtaining higher adsorption parameters than when considering field conditions (1:1). Despite the high anion retention of andic soils, similar Kd and RF to those reported for other soils were obtained in 1:5, while high S(max) was found. Our results demonstrate that IB adsorption in volcanic areas responds not only to the soil properties commonly cited in adsorption studies, but also depends on andic properties, sorbent concentration and Dissolved Organic Carbon, the higher values of which are related to the lower Kd and S(max). The low RF and low detection frequency of the IB in groundwater suggests that a) reclaimed water irrigation is not the main source of IB, and b) the existence of some uncontrolled water disposal points in the zone.

  11. Interfacial adsorption in ternary alloys

    SciTech Connect

    Huang, C.; Cruz, M.O. de la; Voorhees, P.W.

    1999-11-26

    Interfaces of A-B-C ternary alloys decomposed into two and three phases are studied. The effect of the gradient energy coefficients {bar {kappa}}{sub II}, I = A, B, C, on the interface composition profiles of ternary alloys is examined. The adsorption of component C in ternary alloys is obtained numerically by finding steady-state solutions of the nonlinear Cahn-Hilliard equations and by solving the two Euler-Lagrange equations resulting from minimizing the interfacial energy, and analytically near the critical point. It is found that the solutions from both numerical methods are identical for a two-phase system. In symmetric ternary systems (equal interaction energy between each pair of components) with a minority component C, the gradient energy coefficient of C, {bar {kappa}}{sub CC}, can have a very strong influence on the degree of adsorption. In the {alpha} and {beta} two-phase regions, where {alpha} and {beta} are the phases rich in the majority components A and B, respectively, as {bar {kappa}}{sub CC} increases, the adsorption of the minority component C in the {alpha} and {beta} interfaces decreases. Near a critical point, however, the degree of adsorption of minority component C is independent of the gradient energy coefficient.

  12. 2-Hydroxypropyltrimethylammonium xylan adsorption onto rod-like cellulose nanocrystal.

    PubMed

    Sim, Jae Hyun; Dong, Shuping; Röemhild, Katrin; Kaya, Abdulaziz; Sohn, Daewon; Tanaka, Keiji; Roman, Maren; Heinze, Thomas; Esker, Alan R

    2015-02-15

    Chemical incompatibility and relatively weak interaction between lignocellulosic fibers and synthetic polymers have made studies of wood fiber-thermoplastic composite more challenging. In this study, adsorption of 2-hydroxypropyltrimethylammonium xylans onto rod-like cellulose nanocrystals are investigated by zeta-potential measurements, and polarized and depolarized dynamic light scattering as a factor for better understanding of lignocellulosic fibers and cellulose nanocrystals. Zeta-potential measurements show xylan derivative adsorption onto cellulose nanocrystals. Decay time distributions of the ternary system and binary system from dynamic light scattering show that aggregates exist in the binary system and they disappear in the ternary system. At low 2-hydroxypropyltrimethylammonium xylan concentrations relative to that of cellulose nanocrystal, xylan derivatives adsorbed onto some of the cellulose nanocrystal. Hence, more xylan derivatives adsorbed onto cellulose nanocrystal increased with increasing xylan derivative concentration. Also, the concentration dependence of the ratio of the rotational diffusion coefficient to the translational diffusion coefficient revealed a strong adsorptive interaction between xylan derivatives and the cellulose nanocrystals.

  13. Soil adsorption studies of a rice herbicide, cyhalofop-butyl, in two texturally different soils of India.

    PubMed

    Sondhia, Shobha; Khare, Rishi Raj

    2014-10-01

    The ability of herbicides to be adsorbed by the soil and sediment and their tendency to be desorbed are some of the most important factors affecting soil and water contamination. Therefore, a sorption study was conducted to evaluate the adsorption of cyhalofop-butyl, butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy) phenoxy] propanoate, in the sandy clay loam and clayey soils using a batch equilibrium method. The adsorption of cyhalofop-butyl was found positively related with the clay and organic carbon content. Freundlich constants (Kf) of cyhalofop-butyl in the clayey and sandy clay loam were found to be 13.39 and 2.21, respectively. Sorption coefficients (Koc) and distribution coefficients (Kd) were found to be 265.38 and 2,092.79, and 1.38 and 11.48, for sandy clay loam and clayey soils, respectively. The adsorption isotherm suggested a relatively higher affinity of cyhalofop-butyl to the adsorption sites at low equilibrium concentrations. The low value of the soil organic carbon partition coefficient (Koc) of cyhalofop-butyl in the sandy loam soil suggested its weaker adsorption in soil and thus increased its risk of mobility into water sources; hence, it should be used judiciously to prevent groundwater contamination.

  14. Soil adsorption studies of a rice herbicide, cyhalofop-butyl, in two texturally different soils of India.

    PubMed

    Sondhia, Shobha; Khare, Rishi Raj

    2014-10-01

    The ability of herbicides to be adsorbed by the soil and sediment and their tendency to be desorbed are some of the most important factors affecting soil and water contamination. Therefore, a sorption study was conducted to evaluate the adsorption of cyhalofop-butyl, butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy) phenoxy] propanoate, in the sandy clay loam and clayey soils using a batch equilibrium method. The adsorption of cyhalofop-butyl was found positively related with the clay and organic carbon content. Freundlich constants (Kf) of cyhalofop-butyl in the clayey and sandy clay loam were found to be 13.39 and 2.21, respectively. Sorption coefficients (Koc) and distribution coefficients (Kd) were found to be 265.38 and 2,092.79, and 1.38 and 11.48, for sandy clay loam and clayey soils, respectively. The adsorption isotherm suggested a relatively higher affinity of cyhalofop-butyl to the adsorption sites at low equilibrium concentrations. The low value of the soil organic carbon partition coefficient (Koc) of cyhalofop-butyl in the sandy loam soil suggested its weaker adsorption in soil and thus increased its risk of mobility into water sources; hence, it should be used judiciously to prevent groundwater contamination. PMID:24875347

  15. Laboratory study on the adsorption of Mn(2+) on suspended and deposited amorphous Al(OH)(3) in drinking water distribution systems.

    PubMed

    Wang, Wendong; Zhang, Xiaoni; Wang, Hongping; Wang, Xiaochang; Zhou, Lichuan; Liu, Rui; Liang, Yuting

    2012-09-01

    Manganese (II) is commonly present in drinking water. This paper mainly focuses on the adsorption of manganese on suspended and deposited amorphous Al(OH)(3) solids. The effects of water flow rate and water quality parameters, including solution pH and the concentrations of Mn(2+), humic acid, and co-existing cations on adsorption were investigated. It was found that chemical adsorption mainly took place in drinking water with pHs above 7.5; suspended Al(OH)(3) showed strong adsorption capacity for Mn(2+). When the total Mn(2+) input was 3 mg/L, 1.0 g solid could accumulate approximately 24.0 mg of Mn(2+) at 15 °C. In drinking water with pHs below 7.5, because of H(+) inhibition, active reaction sites on amorphous Al(OH)(3) surface were much less. The adsorption of Mn(2+) on Al(OH)(3) changed gradually from chemical coordination to physical adsorption. In drinking water with high concentrations of Ca(2+), Mg(2+), Fe(3+), and HA, the removal of Mn(2+) was enhanced due to the effects of co-precipitation and adsorption. In solution with 1.0 mg/L HA, the residual concentration of Mn(2+) was below 0.005 mg/L, much lower than the limit value required by the Chinese Standard for Drinking Water Quality. Unlike suspended Al(OH)(3), deposited Al(OH)(3) had a much lower adsorption capacity of 0.85 mg/g, and the variation in flow rate and major water quality parameters had little effect on it. Improved managements of water age, pipe flushing and mechanical cleaning were suggested to control residual Mn(2+).

  16. Distortion of bulk-ion distribution function due to nuclear elastic scattering and its effect on T(d,n){sup 4}He reaction rate coefficient in neutral-beam-injected deuterium-tritium plasmas

    SciTech Connect

    Matsuura, H.; Nakao, Y.

    2007-05-15

    An effect of nuclear elastic scattering on the rate coefficient of fusion reaction between field deuteron and triton in the presence of neutral beam injection heating is studied. Without assuming a Maxwellian for bulk-ion distribution function, the Boltzmann-Fokker-Planck (BFP) equations for field (bulk) deuteron, field (bulk) triton, {alpha}-particle, and beam deuteron are simultaneously solved in an ITER-like deuterium-tritium thermonuclear plasma [R. Aymar, Fusion Eng. Des. 55, 107 (2001)]. The BFP calculation shows that enhancement of the reaction rate coefficient due to knock-on tail formation in fuel-ion distribution functions becomes appreciable, especially in the case of low-density operations.

  17. Adsorption-induced colloidal aggregation

    NASA Astrophysics Data System (ADS)

    Law, B. M.; Petit, J.-M.; Beysens, D.

    1998-03-01

    Reversible colloidal aggregation in binary liquid mixtures has been studied for a number of years. As the phase separation temperature of the liquid mixture is approached the thickness of an adsorption layer around the colloidal particles increases. Beysens and coworkers have demonstrated experimentally that this adsorption layer is intimately connected with the aggregation of the colloidal particles, however, no definitive theory has been available which can explain all of the experimental observations. In this contribution we describe an extension of the Derjaguin, Landau, Verwey, and Overbeek theory of colloidal aggregation which takes into account the presence of the adsorption layer and which more realistically models the attractive dispersion interactions. This modified theory can quantitatively account for many of the observed experimental features such as the characteristics of the aggregated state, the general shape of the aggregation line, and the temperature dependence of the second virial coefficient for a lutidine-water mixture containing a small volume fraction of silica colloidal particles.

  18. Protein Adsorption in Three Dimensions

    PubMed Central

    Vogler, Erwin A.

    2011-01-01

    initially-adsorbed protein. Interphase protein concentration CI increases as VI decreases, resulting in slow reduction in interfacial energetics. Steady-state is governed by a net partition coefficient P=(/CBCI). In the process of occupying space within the interphase, adsorbing protein molecules must displace an equivalent volume of interphase water. Interphase water is itself associated with surface-bound water through a network of transient hydrogen bonds. Displacement of interphase water thus requires an amount of energy that depends on the adsorbent surface chemistry/energy. This “adsorption-dehydration” step is the significant free-energy cost of adsorption that controls the maximum amount of protein that can be adsorbed at steady state to a unit adsorbent-surface area (the adsorbent capacity). As adsorbent hydrophilicity increases, protein adsorption monotonically decreases because the energetic cost of surface dehydration increases, ultimately leading to no protein adsorption near an adsorbent water wettability (surface energy) characterized by a water contact angle θ → 65°. Consequently, protein does not adsorb (accumulate at interphase concentrations greater than bulk solution) to more hydrophilic adsorbents exhibiting θ < 65° . For adsorbents bearing strong Lewis acid/base chemistry such as ion-exchange resins, protein/surface interactions can be highly favorable, causing protein to adsorb in multilayers in a relatively thick interphase. A straightforward, three-component free energy relationship captures salient features of protein adsorption to all surfaces predicting that the overall free energy of protein adsorption ΔGadso is a relatively small multiple of thermal energy for any surface chemistry (except perhaps for bioengineered surfaces bearing specific ligands for adsorbing protein) because a surface chemistry that interacts chemically with proteins must also interact with water through hydrogen bonding. In this way, water moderates protein

  19. Understanding supported reactions in spherical compartments: a general algorithm to model and determine rate constants, diffusion coefficients, and spatial product distributions.

    PubMed

    Egelhaaf, Hans-Joachim; Rademann, Jörg

    2005-01-01

    A general algorithm allowing the numerical modeling of the time and space dependence of product formation in spherical reaction volumes is described. The algorithm is described by the complete set of mass balance equations. On the basis of these equations, the effects of the diffusion coefficient, reaction rate, bead size, reagent excess, and packing density of the resin beads on the overall reaction rates are determined for second-order reactions. Experimental data of reaction progress are employed to calculate reaction rates and diffusion coefficients in polymer-supported reactions. In addition, the conditions for shell-like product formation are determined, and various strategies for the radial patterning of resin beads are compared. The effect of diffusion on polymer-supported enzyme-catalyzed reactions of the Michaelis-Menten type is treated, as well. Finally, the effects of typical nonideal solid-phase phenomena, namely, the inhomogeneity of rate constants and the concentration dependence of diffusion coefficients, on overall rates are discussed.

  20. Adsorption of HO(x) on aerosol surfaces - Implications for the atmosphere of Mars

    NASA Technical Reports Server (NTRS)

    Anbar, A. D.; Leu, M.-T.; Nair, H. A.; Yung, Y. L.

    1993-01-01

    The potential impact of heterogeneous chemistry on the abundance and distribution of HO(x) in the Martian atmosphere is investigated using observational data on dust and ice aerosol distributions combined with an updated photochemical model. Critical parameters include the altitude distributions of aerosols and the surface loss coefficients of HO2 on dust and ice in the lower atmosphere and of H on ice above 40 km. Results of calculations indicate that adsorption of HO2 on dust, or ice near 30 km, can deplete OH abundances in the lower atmosphere by 10 percent or more and that the adsorption of H on ice at 50 km can result in even larger OH depletions (this effect is localized to altitudes greater than 40 km, where CO oxidation is relatively unimportant).

  1. Unexpected coupling between flow and adsorption in porous media.

    PubMed

    Vanson, Jean-Mathieu; Coudert, François-Xavier; Rotenberg, Benjamin; Levesque, Maximilien; Tardivat, Caroline; Klotz, Michaela; Boutin, Anne

    2015-08-14

    We study the interplay between transport and adsorption in porous systems under a fluid flow, based on a lattice Boltzmann scheme extended to account for adsorption. We performed simulations on well-controlled geometries with slit and grooved pores, investigating the influence of adsorption and flow on dispersion coefficient and adsorbed density. In particular, we present a counterintuitive effect where fluid flow induces heterogeneity in the adsorbate, displacing the adsorption equilibrium towards downstream adsorption sites in grooves. We also present an improvement of the adsorption-extended lattice Boltzmann scheme by introducing the possibility for saturating Langmuir-like adsorption, while earlier work focused on linear adsorption phenomena. We then highlight the impact of this change in situations of high concentration of adsorbate. PMID:26139013

  2. Polyethylene passive samplers to determine sediment-pore water distribution coefficients of persistent organic pollutants in five heavily contaminated dredged sediments.

    PubMed

    Charrasse, Benoit; Tixier, Céline; Hennebert, Pierre; Doumenq, Pierre

    2014-02-15

    Pore concentration and partition coefficients of polycyclic aromatic hydrocarbons (PAHs) and polychlorinated biphenyls (PCBs) were determined in sediments from five distinct contaminated sites in France (marine harbour, rivers canals and highway sedimentation tank). The assessment of the risk caused by such micropollutants requires, in most cases, the measurement of their availability. To assess this availability, low density polyethylene (LDPE) membrane samplers were exposed to these sediments under constant and low-level agitation over a period of 46 days. Freely dissolved pore water contaminant concentrations were estimated from the concentration at equilibrium in the LDPE membrane. The depletion of contaminants in the sediments was monitored by the use of performance reference compounds (PRCs). Marked differences in freely dissolved PAH and PCB concentrations and resulting sediment-pore water partition coefficients between these five sediments were observed. Data set was tested onto different empirical and mechanistic models. As final findings, triple domain sorption (a total organic carbon, black carbon and oil phase model) could model PCB data successfully whereas the best fitting for PAH partitioning was obtained by Raoult's Law model. PMID:24360917

  3. Adsorption of copper to different biogenic oyster shell structures

    NASA Astrophysics Data System (ADS)

    Wu, Qiong; Chen, Jie; Clark, Malcolm; Yu, Yan

    2014-08-01

    The removal of copper from solution by oyster shell powder was investigated for potential wastewater treatment uses. In particular, adsorption behavior differences between the prismatic (PP) and nacreous (NP) shell layers, and how this affects copper removal, were investigated. Experimental results indicated that copper adsorption was highly pH-dependent with optimal copper removal at pH 5.5, where the powdered whole raw shell (RP) removed up to 99.9% of the copper within 24 h at a 10 mg/L initial copper concentration. Langmuir and Freundlich models were used to analyze the isotherm PP, NP and RP data. These results showed a strong homogeneous Langmuir model for low initial copper concentrations (5-30 mg/L) to both RP and PP layer, while strong agreement with a heterogeneous Freundlich model for high initial copper concentrations (30-200 mg/L); nevertheless, a homogeneous Langmuir model provided the best fit for the more dense NP layer across the initial concentration range (5-200 mg/L). The distribution coefficient (Kd) value of PP layer for each initial concentration investigated was substantially higher than the NP layer and it was also found that the PP layer dominated the adsorption process with an adsorption capacity of 8.9 mg/g, while the adsorption capacity of the NP layer was 2.6 mg/g. These differences are believed to be because of the more porous structure of the PP layer, which was confirmed by scanning electron microscopy, infrared spectroscopy, energy-dispersive X-ray spectroscopy, and thermogravimetry-differential thermal analyses.

  4. Adsorption-desorption characteristics of lead in variable charge soils.

    PubMed

    Yang, J Y; Yang, X E; He, Z L; Chen, G C; Shentu, J L; Li, T Q

    2004-01-01

    Adsorption desorption processes of Pb at contaminated levels in two variable charge soils were investigated. The red soil (RAR) developed on the Arenaceous rock (clayey, mixed siliceous thermic typic Dystrochrept) adsorbed more Pb2+ than the red soil (REQ) derived from the Quaternary red earths (clayey, kaolinitic thermic plinthite Aquult). The maximum adsorption values (Xm) that were obtained from the simple Langmuir model were 52.6 mmol Pb2+ kg(-1) soil and 29.9 mmol Pb2+ kg(-1) soil, respectively, for the RAR and REQ. Adsorption of Pb2+ decreased soil pH by 1.10 unit for the RAR soil and 1.21 unit for the REQ soil at the highest loading. The adsorption equilibrium pH of RAR was higher than that of REQ at the same Pb2+ concentration. The distribution coefficient (Kd) of Pb in the soils decreased exponentially with increasing Pb2+ loading. Most of the adsorbed Pb2+ in the soils was not desorbed in the 0.01 mol L(-1) NaNO3 solution. After five successive extractions with NaNO3, only 0-11% of the total adsorbed Pb2+ in the RAR soil was desorbed and the corresponding value of the REQ soil was 0-19%, indicating that the RAR soil had a greater affinity for Pb2+ than the REQ soil at the same Pb2+ loading. Different mechanisms might be involved in Pb2+ adsorption/desorption at different levels of Pb2+ loading and between the two soils.

  5. Protein Adsorption in Three Dimensions

    PubMed Central

    Vogler, Erwin A.

    2011-01-01

    initially-adsorbed protein. Interphase protein concentration CI increases as VI decreases, resulting in slow reduction in interfacial energetics. Steady-state is governed by a net partition coefficient P=(/CBCI). In the process of occupying space within the interphase, adsorbing protein molecules must displace an equivalent volume of interphase water. Interphase water is itself associated with surface-bound water through a network of transient hydrogen bonds. Displacement of interphase water thus requires an amount of energy that depends on the adsorbent surface chemistry/energy. This “adsorption-dehydration” step is the significant free-energy cost of adsorption that controls the maximum amount of protein that can be adsorbed at steady state to a unit adsorbent-surface area (the adsorbent capacity). As adsorbent hydrophilicity increases, protein adsorption monotonically decreases because the energetic cost of surface dehydration increases, ultimately leading to no protein adsorption near an adsorbent water wettability (surface energy) characterized by a water contact angle θ → 65°. Consequently, protein does not adsorb (accumulate at interphase concentrations greater than bulk solution) to more hydrophilic adsorbents exhibiting θ < 65° . For adsorbents bearing strong Lewis acid/base chemistry such as ion-exchange resins, protein/surface interactions can be highly favorable, causing protein to adsorb in multilayers in a relatively thick interphase. A straightforward, three-component free energy relationship captures salient features of protein adsorption to all surfaces predicting that the overall free energy of protein adsorption ΔGadso is a relatively small multiple of thermal energy for any surface chemistry (except perhaps for bioengineered surfaces bearing specific ligands for adsorbing protein) because a surface chemistry that interacts chemically with proteins must also interact with water through hydrogen bonding. In this way, water moderates protein

  6. Factor Scores, Structure Coefficients, and Communality Coefficients

    ERIC Educational Resources Information Center

    Goodwyn, Fara

    2012-01-01

    This paper presents heuristic explanations of factor scores, structure coefficients, and communality coefficients. Common misconceptions regarding these topics are clarified. In addition, (a) the regression (b) Bartlett, (c) Anderson-Rubin, and (d) Thompson methods for calculating factor scores are reviewed. Syntax necessary to execute all four…

  7. Brain distribution of cetirizine enantiomers: comparison of three different tissue-to-plasma partition coefficients: K(p), K(p,u), and K(p,uu).

    PubMed

    Gupta, Anubha; Chatelain, Pierre; Massingham, Roy; Jonsson, E Niclas; Hammarlund-Udenaes, Margareta

    2006-02-01

    The objective of this study was to compare the blood-brain barrier (BBB) transport and brain distribution of levo- (R-CZE) and dextrocetirizine (S-CZE). Microdialysis probes, calibrated using retrodialysis by drug, were placed into the frontal cortex and right jugular vein of eight guinea pigs. Racemic CZE (2.7 mg/kg) was administered as a 60-min i.v. infusion. Unbound and total concentrations of the enantiomers were measured in blood and brain with liquid chromatography-tandem mass spectrometry. The brain distribution of the CZE enantiomers were compared using the parameters K(p,) K(p,u,) K(p,uu), and V(u,br). K(p) compares total brain concentration to total plasma concentration, K(p,u) compensates for binding in plasma, whereas K(p,uu) also compensates for binding within the brain tissue and directly quantifies the transport across the BBB. V(u,br) describes binding within the brain. The stereoselective brain distribution indicated by the K(p) of 0.22 and 0.04 for S- and R-CZE, respectively, was caused by different binding to plasma proteins. The transport of the CZE enantiomers across the BBB was not stereoselective, since the K(p,uu) was 0.17 and 0.14 (N.S.) for S- and R-CZE, respectively. The K(p,uu) values show that the enantiomers are effluxed to a large extent across the BBB. The V(u,br) of approximately 2.5 ml/g brain was also similar for both the enantiomers, and the value indicates high binding to brain tissue. Thus, when determining stereoselectivity in brain distribution, it is important to study all factors governing this distribution, binding in blood and brain, and the BBB equilibrium.

  8. Tables of the coefficients A

    NASA Technical Reports Server (NTRS)

    Chandra, N.

    1974-01-01

    Numerical coefficients required to express the angular distribution for the rotationally elastic or inelastic scattering of electrons from a diatomic molecule were tabulated for the case of nitrogen and in the energy range from 0.20 eV to 10.0 eV. Five different rotational states are considered.

  9. Kinetic Interpretation of Water Vapor Adsorption-Desorption Behavior of a Desiccant Rotor Showing S-shaped Adsorption Isotherm

    NASA Astrophysics Data System (ADS)

    Okamoto, Kumiko; Oshima, Kazunori; Takewaki, Takahiko; Kodama, Akio

    Adsorption / desorption behavior of water vapor in a desiccant rotor containing an iron aluminophosphate type zeolite FAM-Z01 (Functional Adsorbent Material Zeolite 01) was experimentally investigated for humidity swing. This rotor exhibited an S-shaped adsorption isotherm with its temperature dependence. Humidity swing, using a small piece of the rotor, could be usefully applied to interpret adsorption / desorption mechanisms by observing their rates. The most significant finding was that the adsorption / desorption rates in humidity swing could be described by the amount of adsorption, temperature and amplitude of the humidity swing, not by cycle time. Also, using the liner driving force (LDF) model, the overall mass transfer coefficient changed with the elapse of time or with the amount of adsorbed water. This implied that the LDF model, considering constant value of the overall mass transfer coefficient, was probably unable to explain the water adsorption / desorption behavior of FAM-Z01 desiccant rotor.

  10. THE DIFFUSION COEFFICIENT OF CRYSTALLINE TRYPSIN

    PubMed Central

    Scherp, Henry W.

    1933-01-01

    The diffusion coefficient of crystalline trypsin in 0.5 saturated magnesium sulfate at 5°C. is 0.020 ±0.001 cm.2 per day, corresponding to a molecular radius of 2.6 x 10–7 cm. The rate of diffusion of the proteolytic activity is the same as that of the protein nitrogen, indicating that these two properties are held together in chemical combination and not in the form of an adsorption complex. PMID:19872740

  11. Adsorption of uranium (VI) from mixed chloride-fluoride solutions by anion-exchange resins

    SciTech Connect

    Pakholkov, V.S.; Denisova, L.A.; Rychkov, V.N.; Kurnosenko, N.A.

    1988-03-01

    Experimental data are reported and discussed concerning the adsorption of uranium from 0.025 M solutions of UO/sub 2/Cl/sub 2/, containing HCl, HF, and NH/sub 4/Cl over a wide concentration range, using anion-exchange resins of varying basicities. UV and IR spectroscopic studies were conducted in order to clarify the chemical mechanism of uranium adsorption. Adsorption isotherms for all of the ion-exchange resins studied are convex in shape and can be described by the following equations: log K/sub d/ = a + b (-log C/sub e/), and log A = a + (b + 1) log C/sub e/, where A is the adsorptivity in mmole U/g; K/sub d/ is the distribution coefficient in mg/liter; and C/sub e/ is the equilibrium concentration of U in mmole/ml. General mathematical models have been obtained to describe the adsorption process; these consist of a system of regression equations derived from the results of a complete 2/sup 3/ factorial study.

  12. Adsorption equilibrium and kinetics for SO2, NO, CO2 on zeolites FAU and LTA.

    PubMed

    Yi, Honghong; Deng, Hua; Tang, Xiaolong; Yu, Qiongfen; Zhou, Xuan; Liu, Haiyan

    2012-02-15

    In order to develop a single-step process for removing SO(2), NO, CO(2) in flue gas simultaneously by co-adsorption method. Pure component adsorption equilibrium and kinetics of SO(2), NO, and CO(2) on zeolite NaY, NaX, CaA were obtained respectively. Equilibrium data were analyzed by equilibrium model and Henry's law constant. The results suggest that Adsorption affinity follows the trend SO(2)>CO(2)>NO for the same adsorbent. Zeolite with stronger polar surface is a more promising adsorbent candidate. Kinetics behavior was investigated using the breakthrough curve method. The overall mass transfer coefficient and diffusivity factor were determined by a linear driving force model. The results are indicative of micropore diffusion controlling mechanism. NaY zeolite has the minimum resistance of mass transfer duo to the wide pore distribution and large pore amount. CaA zeolite exhibits the highest spatial hindered effect. Finally, co-adsorption effect of SO(2), NO, and CO(2) were investigated by multi-components breakthrough method. SO(2) and NO may form new adsorbed species, however, CO(2) presents a fast breakthrough. Chemical adsorption causes SO(2) transforms to SO(4)(2-), however, element N and C are not detected in adsorbed zeolites.

  13. Adsorption-desorption of tricyclazole: effect of soil types and organic matter.

    PubMed

    Kumar, Naveen; Mukherjee, Irani; Varghese, Eldho

    2015-03-01

    Adsorption-desorption of tricyclazole was studied by batch equilibrium method in two soil types, varying in their physical and chemical properties. The adsorption of tricyclazole on the soil matrix exhibited low rate of accumulation with 18.24 ± 0.14 % in Ultisol and moderately high rate with 43.62 ± 0.14 % in Vertisol after 6 h of equilibrium time. For soils amended with farmyard manure (FYM), the adsorption percentage increased to 32.52 ± 0.14 % in Ultisol and 55.14 ± 0.14 % in Vertisol. The Freundlich model was used to describe the adsorption-desorption of the tricyclazole in two soils. The adsorption isotherm suggested a relatively higher affinity of tricyclazole to the adsorption sites at low equilibrium concentrations. Variation in sorption affinities of the soils as indicated by the distribution coefficient (K d) for sorption in the range of 0.78 ± 0.01-1.38 ± 0.03, 1.71 ± 0.03-2.99 ± 0.09, 2.75 ± 0.05-4.69 ± 0.01, and 4.65 ± 0.08-7.64 ± 0.01 mL/g for Ultisol, FYM-amended Ultisol, Vertisol, and FYM-amended Vertisol, respectively. Desorption was slower than adsorption, indicating a hysteresis effect. The hysteresis coefficient varied from 0.023 ± 0.15 to 0.160 ± 0.12 in two test soils. A good fit to the linear and Freundlich isotherms was observed with correlation coefficients >0.96. The results revealed that adsorption-desorption was influenced by soil properties and showed that the maximum sorption and minimum desorption of pesticide were observed in soils with higher organic carbon and clay content. Thus, groundwater contamination may be minimized, on application of tricyclazole in high-sorption soils of rice-growing regions. PMID:25647794

  14. Adsorption-desorption of tricyclazole: effect of soil types and organic matter.

    PubMed

    Kumar, Naveen; Mukherjee, Irani; Varghese, Eldho

    2015-03-01

    Adsorption-desorption of tricyclazole was studied by batch equilibrium method in two soil types, varying in their physical and chemical properties. The adsorption of tricyclazole on the soil matrix exhibited low rate of accumulation with 18.24 ± 0.14 % in Ultisol and moderately high rate with 43.62 ± 0.14 % in Vertisol after 6 h of equilibrium time. For soils amended with farmyard manure (FYM), the adsorption percentage increased to 32.52 ± 0.14 % in Ultisol and 55.14 ± 0.14 % in Vertisol. The Freundlich model was used to describe the adsorption-desorption of the tricyclazole in two soils. The adsorption isotherm suggested a relatively higher affinity of tricyclazole to the adsorption sites at low equilibrium concentrations. Variation in sorption affinities of the soils as indicated by the distribution coefficient (K d) for sorption in the range of 0.78 ± 0.01-1.38 ± 0.03, 1.71 ± 0.03-2.99 ± 0.09, 2.75 ± 0.05-4.69 ± 0.01, and 4.65 ± 0.08-7.64 ± 0.01 mL/g for Ultisol, FYM-amended Ultisol, Vertisol, and FYM-amended Vertisol, respectively. Desorption was slower than adsorption, indicating a hysteresis effect. The hysteresis coefficient varied from 0.023 ± 0.15 to 0.160 ± 0.12 in two test soils. A good fit to the linear and Freundlich isotherms was observed with correlation coefficients >0.96. The results revealed that adsorption-desorption was influenced by soil properties and showed that the maximum sorption and minimum desorption of pesticide were observed in soils with higher organic carbon and clay content. Thus, groundwater contamination may be minimized, on application of tricyclazole in high-sorption soils of rice-growing regions.

  15. Influence of in situ biofilm coverage on the radionuclide adsorption capacity of subsurface granite.

    PubMed

    Anderson, Craig; Jakobsson, Anna-Maria; Pedersen, Karsten

    2007-02-01

    Any migration of radionuclides from nuclear waste repositories is expected to be mitigated by adsorption to the host rocks surrounding hydraulically conductive fractures. Fluid rock interfaces are considered to be important barriers for nuclear waste disposal schemes but their adsorptive capacity can be affected by the growth of microbial biofilms. This study indicates that biofilms growing on fracture surfaces decrease the rocks adsorption capacity for migrating radionuclides except for trivalent species. Potential suppression of adsorption by biofilms should, therefore, be accounted for in performance safety assessment models. In this study, the adsorptive capacity of in situ anaerobic biofilms grown 450 m underground on either glass or granite slides was compared to the capacity of the same surfaces without biofilms. Surfaces were exposed to the radiotracers 60Co(II), 147Pm(III), 241Am(III), 234Th(IV), and 237Np(V) for a period of 660 h in a pH neutral anaerobic synthetic groundwater. Adsorption was investigated at multiple time points over the 660 h using liquid scintillation and ICP-MS. Results indicate that these surfaces adsorb between 0 and 85% of the added tracers under the conditions of the specific experiments. After 660 h, the distribution coefficients, R (ratio between what is sorbed and what is left in the aqueous phase), approached 3 x 10(4) m for 60Co, 3 x 10(5) m for 147Pm and 241Am, 1 x 10(6)m for 234Th, and 1 x 10(3) m for 237Np. The highest rate of adsorption was during the first 200 h of the adsorption experiments and started to approach equilibrium after 500 h. Adsorption to colloids and precipitates contributed to decreases of up to 20% in the available 60Co, 147Pm, 241Am, and 237Np in the adsorption systems. In the 234Th system 95% of the aqueous 234Th was removed by adsorbing to colloids. Although the range of Rvalues for each surface tested generally overlapped, the biofilms consistently demonstrated lower R values except for the trivalant

  16. Novel Logistic Regression Model of Chest CT Attenuation Coefficient Distributions for the Automated Detection of Abnormal (Emphysema or ILD) versus Normal Lung

    PubMed Central

    Chan, Kung-Sik; Jiao, Feiran; Mikulski, Marek A.; Gerke, Alicia; Guo, Junfeng; Newell, John D; Hoffman, Eric A.; Thompson, Brad; Lee, Chang Hyun; Fuortes, Laurence J.

    2015-01-01

    Rationale and Objectives We evaluated the role of automated quantitative computed tomography (CT) scan interpretation algorithm in detecting Interstitial Lung Disease (ILD) and/or emphysema in a sample of elderly subjects with mild lung disease.ypothesized that the quantification and distributions of CT attenuation values on lung CT, over a subset of Hounsfield Units (HU) range [−1000 HU, 0 HU], can differentiate early or mild disease from normal lung. Materials and Methods We compared results of quantitative spiral rapid end-exhalation (functional residual capacity; FRC) and end-inhalation (total lung capacity; TLC) CT scan analyses in 52 subjects with radiographic evidence of mild fibrotic lung disease to 17 normal subjects. Several CT value distributions were explored, including (i) that from the peripheral lung taken at TLC (with peels at 15 or 65mm), (ii) the ratio of (i) to that from the core of lung, and (iii) the ratio of (ii) to its FRC counterpart. We developed a fused-lasso logistic regression model that can automatically identify sub-intervals of [−1000 HU, 0 HU] over which a CT value distribution provides optimal discrimination between abnormal and normal scans. Results The fused-lasso logistic regression model based on (ii) with 15 mm peel identified the relative frequency of CT values over [−1000, −900] and that over [−450,−200] HU as a means of discriminating abnormal versus normal, resulting in a zero out-sample false positive rate and 15%false negative rate of that was lowered to 12% by pooling information. Conclusions We demonstrated the potential usefulness of this novel quantitative imaging analysis method in discriminating ILD and/or emphysema from normal lungs. PMID:26776294

  17. Adsorption and excess fission xenon

    NASA Technical Reports Server (NTRS)

    Podosek, F. A.; Bernatowicz, T. J.; Kramer, F. E.

    1982-01-01

    The adsorption of Xe and Kr on lunar soil 10084 was measured by a method that employs only very low fractions of monolayer coverage. Results are presented as parameters for calculation of the Henry constant for adsorption as a function of temperature. The adsorption potentials are about 3 kcal/mole for Kr and 5 kcal/mole for Xe; heating the sample in vacuum increased the Xe potential to nearly 7 kcal/mole. Henry constants at the characteristic lunar temperature are about 0.3 cu cm STP/g-atm. These data were applied to consider whether adsorption is important in producing the excess fission Xe effect characteristic of highland breccias. Sorption equilibrium with a transient lunar atmosphere vented fission Xe produces concentrations seven orders of magnitude lower than observed concentrations. Higher concentrations result because of the resistance of the regolith to upward diffusion of Xe. A diffusion coefficient of 0.26 sq cm/sec is estimated for this process.

  18. A strategy for the separation of diterpenoid isomers from the root of Aralia continentalis by countercurrent chromatography: The distribution ratio as a substitute for the partition coefficient and a three-phase solvent system.

    PubMed

    Lee, Kyoung Jin; Song, Kwang Ho; Choi, Wonmin; Kim, Yeong Shik

    2015-08-01

    Aralia continentalis (Araliaceae) is widely used as a medicinal plant in East Asia. Previous studies have indicated that diterpenoid isomers (kaurenoic acid, continentalic acid, and ent-continentalic acid) are the major bioactive compounds of this plant. A new strategy was developed to alleviate difficulties in the separation of these isomers from this plant. A three-phase solvent system was applied to separate the isomers, and furthermore, the distribution ratio (Kc) was introduced as a substitute for the partition coefficient (KD). For compounds exhibiting a single equilibrium, their distributions in two immiscible phases were only affected by the partition coefficient of each solute. However, compounds that have a dissociating functional group (e.g., -COOH) are involved in two types of equilibrium in the two-phase system. In this case, the partitioning behaviors of the solutes are greatly affected by the pH of the solution. A mathematical prediction was applied for adjusting the solutions to the proper pH values. To prevent non-used phase (medium phase) waste, both the stationary phase (upper phase) and mobile phase (lower phase) were prepared on-demand without pre-saturation with the application of (1)H NMR. Each fraction obtained was collected and dried, yielding the following diterpenoid isomers from the 50mg injected sample: kaurenoic acid (19.7mg, yield: 39%) and ent-continentalic acid (21.3mg, yield: 42%).

  19. Pesticide adsorption in the vadose zone: a case study on Eocene and Quaternary materials in Northern France.

    PubMed

    Coquet, Yves; Ribière, Catherine; Vachier, Pierre

    2004-10-01

    We present a set of adsorption coefficients measured on various Eocene and Quaternary materials sampled from the vadose zone of a catchment in Northern France for three herbicides, atrazine, isoproturon and metamitron. Some vadose zone materials were found to have higher adsorption coefficients than the topsoil. The adsorption coefficients were strongly dependent on the clay content of the material. From 83% to 97% of the variability in the adsorption coefficients could be explained by a linear relationship to the clay content. Adsorption coefficients normalized for clay content, Kclay, ranged between 1.6 and 17.6 litre kg(-1) for atrazine. Neglecting the adsorption properties of the vadose zone and relying exclusively on Koc values to predict mobility may bias regional or local risk assessment of groundwater contamination by pesticides. More information on the adsorption properties of geological materials should be collected to improve our ability to predict pesticide concentrations in groundwaters.

  20. Study of Dispersion Coefficient Channel

    NASA Astrophysics Data System (ADS)

    Akiyama, K. R.; Bressan, C. K.; Pires, M. S. G.; Canno, L. M.; Ribeiro, L. C. L. J.

    2016-08-01

    The issue of water pollution has worsened in recent times due to releases, intentional or not, of pollutants in natural water bodies. This causes several studies about the distribution of pollutants are carried out. The water quality models have been developed and widely used today as a preventative tool, ie to try to predict what will be the concentration distribution of constituent along a body of water in spatial and temporal scale. To understand and use such models, it is necessary to know some concepts of hydraulic high on their application, including the longitudinal dispersion coefficient. This study aims to conduct a theoretical and experimental study of the channel dispersion coefficient, yielding more information about their direct determination in the literature.

  1. Adsorption of selected pharmaceuticals and an endocrine disrupting compound by granular activated carbon. 1. Adsorption capacity and kinetics

    SciTech Connect

    Yu, Z.; Peldszus, S.; Huck, P.M.

    2009-03-01

    The adsorption of two representative PhACs (naproxen and carbamazepine) and one EDC (nonylphenol) were evaluated on two granular activated carbons (GAC) namely coal-based Calgon Filtrasorb 400 and coconut shell-based PICA CTIF TE. The primary objective was to investigate preloading effects by natural organic matter (NOM) on adsorption capacity and kinetics under conditions and concentrations (i.e., ng/L) relevant for drinking water treatment. Isotherms demonstrated that all compounds were significantly negatively impacted by NOM fouling. Adsorption capacity reduction was most severe for the acidic naproxen, followed by the neutral carbamazepine and then the more hydrophobic nonylphenol. The GAC with the wider pore size distribution had considerably greater NOM loading, resulting in lower adsorption capacity. Different patterns for the change in Freundlich KF and 1/n with time revealed different competitive mechanisms for the different compounds. Mass transport coefficients determined by short fixed-bed (SFB) tests with virgin and preloaded GAC demonstrated that film diffusion primarily controls mass transfer on virgin and preloaded carbon. Naproxen suffered the greatest deteriorative effect on kinetic parameters due to preloading, followed by carbamazepine, and then nonylphenol. A type of surface NOM/biofilm, which appeared to add an additional mass transfer resistance layer and thus reduce film diffusion, was observed. In addition, electrostatic interactions between NOM/biofilm and the investigated compounds are proposed to contribute to the reduction of film diffusion. A companion paper building on this work describes treatability studies in pilot-scale GAC adsorbers and the effectiveness of a selected fixed-bed model. 32 refs., 3 figs., 2 tabs.

  2. Adsorption-desorption characteristics of cadmium in variable charge soils.

    PubMed

    He, Zhen-Li; Xu, Hai-Ping; Zhu, Ying-Mei; Yang, Xiao-E; Chen, Guo-Chao

    2005-01-01

    Cadmium (Cd) has received considerable attention because of its association with various human health problems. The behavior of adsorption-desorption of Cd at contaminated levels in two variable charge soils were investigated. The red soil (RAR) developed on the Arenaceous rock (clayey, mixed siliceous thermic typic Dystrochrept) adsorbed more Cd2+ than the red soil (REQ) derived from the Quaternary red earths (clayey, kaolinitic thermic plinthite Aquult). The characteristics of Cd adsorption could be described by the Freundlich equation (r2 = 0.997 and 0.989, respectively, for the RAR and REQ) and the simple Langmuir adsorption equation (r2 = 0.985 and 0.977, respectively, for the RAR and REQ). The maximum adsorption values (Xm) that were obtained from the simple Langmuir model were 36.23 mmol Cd2+ kg(-1) soil and 31.15 mmol Cd2+ kg(-1) soil, respectively for the RAR and REQ. Adsorption of Cd2+ decreased soil pH by 1.28 unit for the RAR soil and 1.23 unit for the REQ soil at the highest loading. The distribution coefficient (kd) of Cd in the soil decreased exponentially with increasing Cd2+ loading. The adsorption of cadmium in the two variable charge soils was characterized by a rapid process that lasted approximately 15 min, followed by a slower but longer period. 85.5% and 79.4% of the added Cd were adsorbed within two hours by the RAR and REQ soil, respectively. More Cd2+ was adsorbed at 10 degrees C than at 25 degrees C or 40 degrees C. After five successive desorptions with 0.01 mol L(-1) NaNO3 solution, 53.3% of the total adsorbed Cd2+ in the RAR soil was desorbed and the corresponding value of the REQ soil was 46.5%, indicating that the RAR soil had a lower affinity for Cd2+ than the REQ soil at the same Cd2+ loading. PMID:15792301

  3. The adsorption of heavy metal by Bornean oil palm shell and its potential application as constructed wetland media.

    PubMed

    Chong, H L H; Chia, P S; Ahmad, M N

    2013-02-01

    Oil palm shell, a waste from palm oil industry, was cleaned and utilized as adsorbent. Its particle size distribution gave the uniformity coefficient of approximately two indicating that it can be used as filter bed media for continuous operation without resting. Its measured pH(pzc) of 4.1 is below the common pH of constructed wetland water body suggesting positive adsorption for heavy metal. The effect of various parameters on its adsorption was studied via batch experiments. The adsorption of Cu(II) and Pb(II) ions by oil palm shell showed a slightly better fit with the Freundlich compared to Langmuir. Its monolayer adsorption capacities were found to be 1.756 and 3.390mg/g for Cu(II) and Pb(II), respectively. High correlation coefficient of over 0.99 given by the pseudo-second-order model suggests that the rate limiting factor may be chemisorption. These findings suggest its potential application as constructed wetland media for the removal of heavy metal.

  4. Adsorption in sparse networks. 2: Silica aerogels

    SciTech Connect

    Scherer, G.W.; Calas, S.; Sempere, R.

    1998-06-15

    The model developed in Part 1 is applied to nitrogen adsorption isotherms obtained for a series of silica aerogels whose densities are varied by partial sintering. The isotherms are adequately described by a cubic network model, with all of the pores falling in the mesopore range; the adsorption and desorption branches are fit by the same pore size distribution. For the least dense gels, a substantial portion of the pore volume is not detected by condensation. The model attributes this effect to the shape of the adsorbate/adsorptive interface, which can adopt zero curvature even in mesopores, because of the shape of the network.

  5. Enhancement in ion adsorption rate and desalination efficiency in a capacitive deionization cell through improved electric field distribution using electrodes composed of activated carbon cloth coated with zinc oxide nanorods.

    PubMed

    Laxman, Karthik; Myint, Myo Tay Zar; Bourdoucen, Hadj; Dutta, Joydeep

    2014-07-01

    Electrodes composed of activated carbon cloth (ACC) coated with zinc oxide (ZnO) nanorods are compared with plain ACC electrodes, with respect to their desalination efficiency of a 17 mM NaCl solution at different applied potentials. Polarization of the ZnO nanorods increased the penetration depth and strength of the electric field between the electrodes, leading to an increase in the capacitance and charge efficiency at reduced input charge ratios. Uniform distribution of the electric field lines between two electrodes coated with ZnO nanorods led to faster ion adsorption rates, reduced the electrode saturation time, and increased the average desalination efficiency by ∼45% for all applied potentials. The electrodes were characterized for active surface area, capacitance from cyclic voltammetry, theoretical assessment of surface area utilization, and the magnitude of electric field force acting on an ion of unit charge for each potential.

  6. A comparison of three adsorption equations and sensitivity study of parameter uncertainty effects on adsorption refrigeration thermal performance estimation

    NASA Astrophysics Data System (ADS)

    Zhao, Yongling; Hu, Eric; Blazewicz, Antoni

    2012-02-01

    This paper presents isosteric-based adsorption equilibrium tests of three activated carbon samples with methanol as an adsorbate. Experimental data was fitted into Langmuir equation, Freundlich equation and Dubinin-Astakov (D-A) equation, respectively. The fitted adsorption equations were compared in terms of agreement with experimental data. Moreover, equation format's impacts on calculation of the coefficient of performance (COP) and refrigeration capacity of an adsorption refrigeration system was analyzed. In addition, the sensitivity of each parameter in each adsorption equation format to the estimation of cycle's COP and refrigeration capacity was investigated. It was found that the D-A equation is the best form for presenting the adsorptive property of a carbon-methanol working pair. The D-A equation is recommended for estimating thermal performance of an adsorption refrigeration system because simulation results obtained using the D-A equation are less sensitive to errors of experimentally determined D-A equation's parameters.

  7. Inclusion complex of butachlor with beta-cyclodextrin: characterization, solubility, and speciation-dependent adsorption.

    PubMed

    Bian, Haitao; Chen, Jingwen; Cai, Xiyun; Liu, Ping; Liu, Huihui; Qiao, Xianliang; Huang, Liping

    2009-08-26

    Due to soil adsorption, higher amounts of the herbicide butachlor are necessary to achieve its herbicidal activity, hence increasing its environmental risks. In this study, the effects of beta-cyclodextrin (beta-CD) on solubility and soil adsorption of butachlor were investigated. Formation of a 1:1 stoichiometric inclusion complex between them with an apparent stability constant of 443 L mol(-1) was confirmed in the solution. Fourier transform infrared spectroscopy showed that the (N-CO) amide bond and alkyl ether moiety of butachlor molecule could enter into the cavity of beta-CD, but the double-substituted aromatic ring was excluded because it was larger size than the cavity. Significant enhancing dissolution of butachlor in the inclusion complex occurred in comparison to the free herbicide. The adsorption of butachlor on soil was reduced with an increase of beta-CD concentration because of the formation of the inclusion complex with low adsorption potency. Although the sorption distribution coefficient of complexed butachlor (i.e., butachlor/beta-cyclodextrin inclusion complex) (K(d,c) = 6.14) was about 14% of that of the free herbicide (K(d,f) = 44.54), the proportion of the adsorbed amount of complexed butachlor to the total adsorbed amount rose with the increase of beta-CD concentration. Thus, the adsorption of inclusion complex cannot be neglected in the presence of high concentrations cyclodextrins, although its water solubility was much higher than that of the free herbicide. These results indicate that beta-CD may be used as a formation additive to improve the solubility of butachlor, reduce its adsorption on soil, and increase the availability of butachlor for weeds.

  8. Novel sandwich structure adsorptive membranes for removal of 4-nitrotoluene from water.

    PubMed

    Guo, Yuexin; Jia, Zhiqian

    2016-11-01

    Novel sandwich PES-SPES/PS-PDVB/PTFE adsorptive membranes were prepared by a filtration/immersion precipitation method and employed for the removal of 4-nitrotoluene from water. The static adsorption thermodynamics, kinetics, dynamic adsorption/desorption and membrane reusability were investigated. The results showed that the Freundlich model describes the adsorption isotherm satisfactorily. With increased PS-PDVB content, the maximum static adsorption capacity, partition coefficient, apparent adsorption rate constant, and dynamic adsorption capacity all significantly increased. The sandwich membranes showed much higher removal efficiency and adsorption capacity than those of mixed matrix membranes. With respect to dynamics adsorption/desorption, the sandwich membranes exhibited excellent reusability, with a removal efficiency greater than 95% even after five recycles. PMID:27322899

  9. Preparation and adsorption behavior of berberine hydrochloride imprinted polymers by using silica gel as sacrificed support material

    NASA Astrophysics Data System (ADS)

    Li, Hui; Li, Yuzhuo; Li, Zhiping; Peng, Xiyang; Li, Yanan; Li, Gui; Tan, Xianzhou; Chen, Gongxi

    2012-03-01

    Preparation of berberine hydrochloride (B-Cl) imprinted polymers (MIPs) based on surface imprinting technique with silica gel as sacrificial support material was performed successfully by using B-Cl as template, methacrylic acid (MAA) and ethylene glycol dimethacrylate (EGDMA) as functional monomer and cross-linker, respectively. The prepared polymers were characterized by Fourier transmission infrared spectrometry (FTIR) and scanning electron microscopy (SEM). Adsorption behavior of the MIPs for the template and its structural analogues was investigated. Sites distribution on the surface of MIPs was explored by using different isotherm adsorption models and thermodynamic parameters for the adsorption of B-Cl on the MIPs determined. Sample application and reusability for the MIPs was also evaluated. Results indicated the strong adsorption and high selectivity of the MIPs for B-Cl. Saturated adsorption capacity reached 27.2 μmol g-1 and the selectivity coefficient of the MIPs for B-Cl relative to jatrorrhizine hydrochloride (J-Cl) and palmatine palmatus hydrochloride (P-Cl) are 3.70 and 6.03, respectively. In addition, the MIPs were shown with good reusability and selectively retention ability in sample application.

  10. Effective adsorption of Cr(VI) on mesoporous Fe-functionalized Akadama clay: Optimization, selectivity, and mechanism

    NASA Astrophysics Data System (ADS)

    Ji, Min; Su, Xiao; Zhao, Yingxin; Qi, Wenfang; Wang, Yue; Chen, Guanyi; Zhang, Zhenya

    2015-07-01

    A Japanese volcanic soil, Akadama clay, was functionalized with metal salts (FeCl3, AlCl3, CaCl2, MgCl2, MnCl2) and tested for Cr(VI) removal from aqueous solution. FeCl3 was selected as the most efficient activation agent. To quantitatively investigate the independent or interactive contribution of influencing factors (solution pH, contact time, adsorbent dose, and initial concentration) to Cr(VI) adsorption onto Fe-functionalized AC (FFAC), factorial experimental design was applied. Results showed initial concentration contributed most to adsorption capacity of Cr(VI) (53.17%), followed by adsorbent dosage (45.15%), contact time (1.12%) and the interaction between adsorbent dosage and contact time (0.37%). The adsorption showed little dependence on solution pH from 2 to 8. Adsorption selectivity of Cr(VI) was evaluated through analyzing distribution coefficient, electrical double layer theory, as well as the valence and Pauling's ionic radii of co-existing anions (Cl-, SO42-, and PO43-). EDX and XPS analyses demonstrated the adsorption mechanism of Cr(VI) onto FFAC included electrostatic attraction, ligant exchange, and redox reaction. Improved treatment for tannery wastewater shows a potential application of FFAC as a cost-effective adsorbent for Cr(VI) removal.

  11. Adsorption characteristics of siloxanes in landfill gas by the adsorption equilibrium test

    SciTech Connect

    Nam, Sangchul; Namkoong, Wan; Kang, Jeong-Hee; Park, Jin-Kyu; Lee, Namhoon

    2013-10-15

    Highlights: • Equilibrium test was attempted to evaluate adsorption characteristics of siloxane. • L2 had higher removal efficiency in carbon compared to noncarbon adsorbents. • Total adsorption capacity of siloxane was 300 mg/g by coal activated carbon. • Adsorption characteristics rely on size of siloxane molecule and adsorbent pore. • Conversion of siloxane was caused by adsorption of noncarbon adsorbents. - Abstract: Due to the increase in energy cost by constantly high oil prices and the obligation to reduce greenhouse effect gases, landfill gas is frequently used as an alternative energy source for producing heat and electricity. Most of landfill gas utility facilities, however, are experiencing problems controlling siloxanes from landfill gas as their catalytic oxidizers are becoming fouled by silicon dioxide dust. To evaluate adsorption characteristics of siloxanes, an adsorption equilibrium test was conducted and parameters in the Freundlich and Langmuir isotherms were analyzed. Coconut activated carbon (CA1), coal activated carbon (CA2), impregnated activated carbon (CA3), silicagel (NCA1), and activated alumina (NCA2) were used for the adsorption of the mixed siloxane which contained hexamethyldisiloxane (L2), octamethylcyclotetrasiloxane (D4), and decamethylcyclopentasiloxane (D5). L2 had higher removal efficiency in noncarbon adsorbents compared to carbon adsorbents. The application of Langmuir and Freundlich adsorption isotherm demonstrated that coconut based CA1 and CA3 provided higher adsorption capacity on L2. And CA2 and NCA1 provided higher adsorption capacity on D4 and D5. Based on the experimental results, L2, D4, and D5 were converted by adsorption and desorption in noncarbon adsorbents. Adsorption affinity of siloxane is considered to be affect by the pore size distribution of the adsorbents and by the molecular size of each siloxane.

  12. Adsorption Refrigeration System

    SciTech Connect

    Wang, Kai; Vineyard, Edward Allan

    2011-01-01

    Adsorption refrigeration is an environmentally friendly cooling technology which could be driven by recovered waste heat or low-grade heat such as solar energy. In comparison with absorption system, an adsorption system has no problems such as corrosion at high temperature and salt crystallization. In comparison with vapor compression refrigeration system, it has the advantages of simple control, no moving parts and less noise. This paper introduces the basic theory of adsorption cycle as well as the advanced adsorption cycles such as heat and mass recovery cycle, thermal wave cycle and convection thermal wave cycle. The types, characteristics, advantages and drawbacks of different adsorbents used in adsorption refrigeration systems are also summarized. This article will increase the awareness of this emerging cooling technology among the HVAC engineers and help them select appropriate adsorption systems in energy-efficient building design.

  13. [Characterization of Pb2+ adsorption on the surface of birnessite treatment with Na4P2O7 at different pH and the study on the distribution of Mn(III) in the birnessite].

    PubMed

    Zhao, Wei; Yin, Hui; Liu, Fan; Feng, Xiong-Han; Tan, Wen-Feng

    2011-08-01

    Acid birnessite was treated with Na4P2O7 at pH 2, 4, 5 respectively. After the treatments, the species and content of manganese ion in the complex solution, and the variation of average oxidation state (AOS) of Mn in birnessite, and the amount of adsorbed Pb2+ and released Mn2+, H+ during the Pb2+ adsorption were investigated. The results indicate that after acid birnessite, the AOS of Mn is 3.670 which is treated by Na4P2O7 at different pH, Mn( III) located in the layer edge and part of Mn(III) located in the interlayer are released to the solution through complexation with Na4P2O7. The content of Mn(III) in the structure of original birnessite is very low. Small amount of Mn(II), which accounts for 4.70%-7.46% in the molar percentage of total released Mn, is also released simultaneously. The AOS of Mn of birnessites after treatment increases to 3.783 (pH 2), 3.786 (pH 4), 3.824 (pH 5) respectively. While the crystal structure of birnessite does not change after treatment, the amount of Mn(III) located above or below vacant cation sites decreases, and the amount of H+ located above or below vacant cation sites goes up in the structure of birnessites. The amount of vacant cation sites responsible for Pb2+ adsorption increases, which lead to the increase of the maximum amount of adsorbed Pb2+. Additionally, the distribution of Mn(III) in the structure of acid birnessite is deduced. About one sixth of Mn(III) locates in the layer edge, and five sixths of Mn(III) locates in the interlayer and the non layer edge.

  14. Molecular dynamics simulations on the effects of diameter and chirality on hydrogen adsorption in single walled carbon nanotubes.

    PubMed

    Cheng, Hansong; Cooper, Alan C; Pez, Guido P; Kostov, Milen K; Piotrowski, Pamela; Stuart, Steven J

    2005-03-10

    We present systematic molecular dynamics simulation studies of hydrogen storage in single walled carbon nanotubes of various diameters and chiralities using a recently developed curvature-dependent force field. Our main objective is to address the following fundamental issues: 1. For a given H2 loading and nanotube type, what is the H2 distribution in the nanotube bundle? 2. For a given nanotube type, what is the maximal loading (H2 coverage)? 3. What is the diameter range and chirality for which H2 adsorption is most energetically favorable? Our simulation results suggest strong dependence of H2 adsorption energies on the nanotube diameter but less dependence on the chirality. Substantial lattice expansion upon H2 adsorption was found. The average adsorption energy increases with the lowering of nanotube diameter (higher curvature) and decreases with higher H2 loading. The calculated H2 vibrational power spectra and radial distribution functions indicate a strong attractive interaction between H2 and nanotube walls. The calculated diffusion coefficients are much higher than what has been reported for H2 in microporous materials such as zeolites, indicating that diffusivity does not present a problem for hydrogen storage in carbon nanotubes. PMID:16851425

  15. Adsorption characteristics of siloxanes in landfill gas by the adsorption equilibrium test.

    PubMed

    Nam, Sangchul; Namkoong, Wan; Kang, Jeong-Hee; Park, Jin-Kyu; Lee, Namhoon

    2013-10-01

    Due to the increase in energy cost by constantly high oil prices and the obligation to reduce greenhouse effect gases, landfill gas is frequently used as an alternative energy source for producing heat and electricity. Most of landfill gas utility facilities, however, are experiencing problems controlling siloxanes from landfill gas as their catalytic oxidizers are becoming fouled by silicon dioxide dust. To evaluate adsorption characteristics of siloxanes, an adsorption equilibrium test was conducted and parameters in the Freundlich and Langmuir isotherms were analyzed. Coconut activated carbon (CA1), coal activated carbon (CA2), impregnated activated carbon (CA3), silicagel (NCA1), and activated alumina (NCA2) were used for the adsorption of the mixed siloxane which contained hexamethyldisiloxane (L2), octamethylcyclotetrasiloxane (D4), and decamethylcyclopentasiloxane (D5). L2 had higher removal efficiency in noncarbon adsorbents compared to carbon adsorbents. The application of Langmuir and Freundlich adsorption isotherm demonstrated that coconut based CA1 and CA3 provided higher adsorption capacity on L2. And CA2 and NCA1 provided higher adsorption capacity on D4 and D5. Based on the experimental results, L2, D4, and D5 were converted by adsorption and desorption in noncarbon adsorbents. Adsorption affinity of siloxane is considered to be affect by the pore size distribution of the adsorbents and by the molecular size of each siloxane.

  16. Adsorption characteristics of siloxanes in landfill gas by the adsorption equilibrium test.

    PubMed

    Nam, Sangchul; Namkoong, Wan; Kang, Jeong-Hee; Park, Jin-Kyu; Lee, Namhoon

    2013-10-01

    Due to the increase in energy cost by constantly high oil prices and the obligation to reduce greenhouse effect gases, landfill gas is frequently used as an alternative energy source for producing heat and electricity. Most of landfill gas utility facilities, however, are experiencing problems controlling siloxanes from landfill gas as their catalytic oxidizers are becoming fouled by silicon dioxide dust. To evaluate adsorption characteristics of siloxanes, an adsorption equilibrium test was conducted and parameters in the Freundlich and Langmuir isotherms were analyzed. Coconut activated carbon (CA1), coal activated carbon (CA2), impregnated activated carbon (CA3), silicagel (NCA1), and activated alumina (NCA2) were used for the adsorption of the mixed siloxane which contained hexamethyldisiloxane (L2), octamethylcyclotetrasiloxane (D4), and decamethylcyclopentasiloxane (D5). L2 had higher removal efficiency in noncarbon adsorbents compared to carbon adsorbents. The application of Langmuir and Freundlich adsorption isotherm demonstrated that coconut based CA1 and CA3 provided higher adsorption capacity on L2. And CA2 and NCA1 provided higher adsorption capacity on D4 and D5. Based on the experimental results, L2, D4, and D5 were converted by adsorption and desorption in noncarbon adsorbents. Adsorption affinity of siloxane is considered to be affect by the pore size distribution of the adsorbents and by the molecular size of each siloxane. PMID:23684695

  17. Ionization coefficients in gas mixtures

    NASA Astrophysics Data System (ADS)

    Marić, D.; Šašić, O.; Jovanović, J.; Radmilović-Rađenović, M.; Petrović, Z. Lj.

    2007-03-01

    We have tested the application of the common E/N ( E—electric field, N—gas number density) or Wieland approximation [Van Brunt, R.J., 1987. Common parametrizations of electron transport, collision cross section, and dielectric strength data for binary gas mixtures. J. Appl. Phys. 61 (5), 1773-1787.] and the common mean energy (CME) combination of the data for pure gases to obtain ionization coefficients for mixtures. Test calculations were made for Ar-CH4, Ar-N2, He-Xe and CH4-N2 mixtures. Standard combination procedure gives poor results in general, due to the fact that the electron energy distribution is considerably different in mixtures and in individual gases at the same values of E/N. The CME method may be used for mixtures of gases with ionization coefficients that do not differ by more than two orders of magnitude which is better than any other technique that was proposed [Marić, D., Radmilović-Rađenović, M., Petrović, Z.Lj., 2005. On parametrization and mixture laws for electron ionization coefficients. Eur. Phys. J. D 35, 313-321.].

  18. Generalized statistical model for multicomponent adsorption equilibria on zeolites

    SciTech Connect

    Rota, R.; Gamba, G.; Paludetto, R.; Carra, S.; Morbidelli, M. )

    1988-05-01

    The statistical thermodynamic approach to multicomponent adsorption equilibria on zeolites has been extended to nonideal systems, through the correction of cross coefficients characterizing the interaction between unlike molecules. Estimation of the model parameters requires experimental binary equilibrium data. Comparisons with the classical model based on adsorbed solution theory are reported for three nonideal ternary systems. The two approaches provide comparable results in the simulation of binary and ternary adsorption equilibrium data at constant temperature and pressure.

  19. Measuring Seebeck Coefficient

    NASA Technical Reports Server (NTRS)

    Snyder, G. Jeffrey (Inventor)

    2015-01-01

    A high temperature Seebeck coefficient measurement apparatus and method with various features to minimize typical sources of errors is described. Common sources of temperature and voltage measurement errors which may impact accurate measurement are identified and reduced. Applying the identified principles, a high temperature Seebeck measurement apparatus and method employing a uniaxial, four-point geometry is described to operate from room temperature up to 1300K. These techniques for non-destructive Seebeck coefficient measurements are simple to operate, and are suitable for bulk samples with a broad range of physical types and shapes.

  20. Adsorption kinetics of herbicide paraquat from aqueous solution onto activated bleaching earth.

    PubMed

    Tsai, W T; Lai, C W; Hsien, K J

    2004-05-01

    In the present study, the activated bleaching earth was used as adsorbent for the herbicide paraquat adsorption in a batch adsorber. The rate of adsorption has been investigated under the controlled process parameters like agitation speed, initial paraquat concentration, adsorbent dosage and temperature. A batch kinetic model, based on the assumption of a pseudo-second order mechanism, has been tested to predict the rate constant of adsorption, equilibrium adsorption capacity, time of half-adsorption, and equilibrium concentration by the fittings of the experimental data. The results of the kinetic studies show that the adsorption process can be well described with the pseudo-second order equation. Based on the isotherm data obtained from the fittings of the adsorption kinetics, Freundlich model appears to fit the adsorption better than Langmuir model. In addition, the effective diffusion coefficient has also been estimated based on the restrictive diffusion model.

  1. Poliovirus Adsorption by 34 Minerals and Soils

    PubMed Central

    Moore, Rebecca S.; Taylor, Dene H.; Sturman, Lawrence S.; Reddy, Michael M.; Fuhs, G. Wolfgang

    1981-01-01

    The adsorption of radiolabeled infectious poliovirus type 2 by 34 well-defined soils and mineral substrates was analyzed in a synthetic freshwater medium containing 1 mM CaCl2 and 1.25 mM NaHCO3 at pH 7. In a model system, adsorption of poliovirus by Ottawa sand was rapid and reached equilibrium within 1 h at 4°C. Near saturation, the adsorption could be described by the Langmuir equation; the apparent surface saturation was 2.5 × 106 plaque-forming units of poliovirus per mg of Ottawa sand. At low surface coverage, adsorption was described by the Freundlich equation. The soils and minerals used ranged from acidic to basic and from high in organic content to organic free. The available negative surface charge on each substrate was measured by the adsorption of a cationic polyelectrolyte, polydiallyldimethylammonium chloride. Most of the substrates adsorbed more than 95% of the virus. In general, soils, in comparison with minerals, were weak adsorbents. Among the soils, muck and Genesee silt loam were the poorest adsorbents; among the minerals, montmorillonite, glauconite, and bituminous shale were the least effective. The most effective adsorbents were magnetite sand and hematite, which are predominantly oxides of iron. Correlation coefficients for substrate properties and virus adsorption revealed that the elemental composition of the adsorbents had little effect on poliovirus uptake. Substrate surface area and pH, by themselves, were not significantly correlated with poliovirus uptake. A strong negative correlation was found between poliovirus adsorption and both the contents of organic matter and the available negative surface charge on the substrates as determined by their capacities for adsorbing the cationic polyelectrolyte, polydiallyldimethylammonium chloride. PMID:6274259

  2. Adsorption of Selected Pharmaceutical Compounds onto Activated Carbon in Dilute Aqueous Solutions Exemplified by Acetaminophen, Diclofenac, and Sulfamethoxazole

    PubMed Central

    Chang, E.-E.; Wan, Jan-Chi; Liang, Chung-Huei; Dai, Yung-Dun; Chiang, Pen-Chi

    2015-01-01

    The adsorption of three pharmaceuticals, namely, acetaminophen, diclofenac, and sulfamethoxazole onto granular activated carbon (GAC), was investigated. To study competitive adsorption, both dynamic and steady-state adsorption experiments were conducted by careful selection of pharmaceuticals with various affinities and molecular size. The effective diffusion coefficient of the adsorbate was increased with decease in particle size of GAC. The adsorption affinity represented as Langmuir was consistent with the ranking of the octanol-water partition coefficient, Kow. The adsorption behavior in binary or tertiary systems could be described by competition adsorption. In the binary system adsorption replacement occurred, under which the adsorbate with the smaller Kow was replaced by the one with larger Kow. Results also indicated that portion of the micropores could be occupied only by the small target compound, but not the larger adsorbates. In multiple-component systems the competition adsorption might significantly be affected by the macropores and less by the meso- or micropores. PMID:26078989

  3. A Simple Adsorption Experiment

    ERIC Educational Resources Information Center

    Guirado, Gonzalo; Ayllon, Jose A.

    2011-01-01

    The study of adsorption phenomenon is one of the most relevant and traditional physical chemistry experiments performed by chemistry undergraduate students in laboratory courses. In this article, we describe an easy, inexpensive, and straightforward way to experimentally determine adsorption isotherms using pieces of filter paper as the adsorbent…

  4. Analysis of the use of adsorption processes in trigeneration systems

    NASA Astrophysics Data System (ADS)

    Grzebielec, Andrzej; Rusowicz, Artur

    2013-12-01

    The trigeneration systems for production of cold use sorption refrigeration machines: absorption and adsorption types. Absorption systems are characterized namely by better cooling coefficient of performance, while the adsorptive systems are characterized by the ability to operate at lower temperatures. The driving heat source temperature can be as low as 60-70 °C. Such temperature of the driving heat source allows to use them in district heating systems. The article focuses on the presentation of the research results on the adsorption devices designed to work in trigeneration systems.

  5. Ozone adsorption on carbon nanoparticles

    NASA Astrophysics Data System (ADS)

    Chassard, Guillaume; Gosselin, Sylvie; Visez, Nicolas; Petitprez, Denis

    2014-05-01

    Carbonaceous particles produced by incomplete combustion or thermal decomposition of hydrocarbons are ubiquitous in the atmosphere. On these particles are adsorbed hundreds of chemical species. Those of great concern to health are polycyclic aromatic hydrocarbons (PAHs). During atmospheric transport, particulate PAHs react with gaseous oxidants. The induced chemical transformations may change toxicity and hygroscopicity of these potentially inhalable particles. The interaction between ozone and carbon particles has been extensively investigated in literature. However ozone adsorption and surface reaction mechanisms are still ambiguous. Some studies described a fast catalytic decomposition of ozone initiated by an atomic oxygen chemisorption followed by a molecular oxygen release [1-3]. Others suggested a reversible ozone adsorption according to Langmuir-type behaviour [4,5]. The aim of this present study is a better understanding of ozone interaction with carbon surfaces. An aerosol of carbon nanoparticles was generated by flowing synthetic air in a glass tube containing pure carbon (primary particles < 50 nm), under magnetic stirring. The aerosol was then mixed with ozone in an aerosol flow tube. Ozone uptake experiments were performed with different particles concentrations with a fixed ozone concentration. The influence of several factors on kinetics was examined: initial ozone concentration, particle size (50 nm ≤ Dp ≤ 200 nm) and competitive adsorption (with probe molecule and water). The effect of initial ozone concentration was first studied. Accordingly to literature, it has been observed that the number of gas-phase ozone molecules lost per unit particle surface area tends towards a plateau for high ozone concentration suggesting a reversible ozone adsorption according to a Langmuir mechanism. We calculated the initial reaction probability between O3 and carbon particles.An initial uptake coefficient of 1.10-4 was obtained. Similar experiments were

  6. Adsorption of ferrous ions onto montmorillonites

    NASA Astrophysics Data System (ADS)

    Qin, Dawei; Niu, Xia; Qiao, Min; Liu, Gang; Li, Hongxin; Meng, Zhenxiao

    2015-04-01

    The adsorption of Fe (II) onto montmorillonites was investigated through initial concentration, contact time, pH and temperature. During the whole adsorption process, the ascorbic acid (Vitamin C) was added as a kind of antioxidant, at the same time, deionized water (after boiling) and nitrogen protection were also used to avoid oxidation. The Fe2+/Fetotal ratio of the iron exists in the Fe-montmorillonites was found more than 95%. Two kinetic models, including pseudo-first-order and pseudo-second-order model, were used to analyze the adsorption process of Fe (II) on montmorillonites. The results of our study showed that adsorption process fitted with pseudo-second-order well. Adsorption isotherms showed that Langmuir model was better than Freundlich model. The thermodynamic parameters ΔG0 and ΔH0 were 3.696 kJ/mol and 6.689 kJ/mol (we just gave the values at 298 K), respectively. The positive values at different temperatures showed that the adsorption process was non-spontaneous and endothermic. The characteristics of materials were determined by X-ray diffraction (XRD), Fourier transform infrared (FT-IR), Surface area and porosity analyzer, Thermogravimetric analysis (TGA), Differential scanning calorimeter (DSC) and Zeta potential distribution.

  7. Rate of strontium sorption and the effects of variable aqueous concentrations of sodium and potassium on strontium distribution coefficients of a surficial sediment at the Idaho National Engineering Laboratory, Idaho

    USGS Publications Warehouse

    Bunde, R.L.; Rosentreter, J.J.; Liszewski, M.J.

    1998-01-01

    The rate of strontium sorption and the effects of variable aqueous concentrations of sodium and potassium on strontium sorption were measured as part of an investigation to determine strontium chemical transport properties of a surficial sediment at the Idaho National Engineering Laboratory (INEL), Idaho. Batch experimental techniques were used to determine the rate of strontium sorption and strontium distribution coefficients (K(d)s) between aqueous and solid phases. Rate experiments indicate that strontium in solution reached an apparent equilibrium with the sediment in 26 h. K(d)s were derived using the linear isotherm model at initial sodium concentrations from 100 to 5,000 mg/l and initial potassium concentrations from 2 to 150 mg/l. K(d)s ranged from 56 ?? 2 to 62 ?? 3 ml/g at initial aqueous concentrations of sodium and potassium equal to or less than 300 and 150 mg/l, respectively. K(d)s hinged from 4.7 ?? 0.2 to 19 ?? 1 ml/g with initial aqueous concentrations of sodium between 1,000 and 5,000 mg/l. These data indicate that sodium concentrations greater than 300 mg/l in wastewater increase the availability of strontium for transport beneath waste disposal ponds at the INEL by decreasing strontium sorption on the surficial sediment. Wastewater concentrations of sodium and potassium less than 300 and 150 mg/l, respectively, have little effect on the availability of strontium for transport.The rate of strontium sorption and the effects of variable aqueous concentrations of sodium and potassium on strontium sorption were measured as part of an investigation to determine strontium chemical transport properties of a surficial sediment at the Idaho National Engineering Laboratory (INEL), Idaho. Batch experimental techniques were used to determine the rate of strontium sorption and strontium distribution coefficients (Kds) between aqueous and solid phases. Rate experiments indicate that strontium in solution reached an apparent equilibrium with the sediment in 26

  8. Mechanism of amitriptyline adsorption on Ca-montmorillonite (SAz-2).

    PubMed

    Chang, Po-Hsiang; Jiang, Wei-Teh; Li, Zhaohui; Kuo, Chung-Yih; Jean, Jiin-Shuh; Chen, Wan-Ru; Lv, Guocheng

    2014-07-30

    The uptake of amitriptyline (AMI) from aqueous environment by Ca-montmorillonite (SAz-2) was studied in a batch system under different physicochemical conditions. The adsorbent was characterized by X-ray diffraction and Fourier transform infrared (FTIR) analyses. The AMI adsorption on SAz-2 obeyed the Langmuir isotherm with a capacity of 330mg/g (1.05mmol/g) at pH 6-7. The adsorption kinetics was fast, almost reaching equilibrium in 2h, and followed a pseudo-second-order kinetic model. Desorption of exchangeable cations correlated with the AMI adsorption well, indicating that cation exchange was the major mechanism. X-ray diffraction patterns showing significant expansions of the d001 spacing and characteristic FTIR band shifts toward higher frequencies after AMI adsorption onto SAz-2 indicated that the adsorbed AMI molecules were intercalated into the interlayers of the mineral. Thermodynamic parameters based on partitioning coefficients suggested that the AMI adsorption was an endothermic physisorption at high adsorption levels. At low and higher AMI adsorption levels, the intercalated AMI molecules take a horizontal monolayer and bilayer conformation, respectively. The higher adsorption capacity suggested that SAz-2 could be a good candidate to remove AMI from wastewater and would be an important environmental sink for the fate and transport of AMI in soils and groundwater. PMID:24373983

  9. Adsorption of lead onto smectite from aqueous solution.

    PubMed

    Mhamdi, M; Galai, H; Mnasri, N; Elaloui, E; Trabelsi-Ayadi, M

    2013-03-01

    The purpose of this research is to study the effect of a new method of adsorption using membrane filtration to determine the maximum amount of lead adsorbed by clay and investigate the behavior of the clay after adsorption of the said metal. Treatment of wastewater contaminated with heavy metals depends on the characteristics of the effluent, the amount of final discharge, the cost of treatment, and the compatibility of the treatment process. The process of adsorption of heavy metals by clays may be a simple, selective, and economically viable alternative to the conventional physical-chemical treatment. This is justified by the importance of the surface developed by this material, the presence of negative charges on the said surface, the possibility of ion exchange taking place, and its wide availability in nature. The removal of lead from wastewater was studied by using the adsorption technique and using clay as the adsorbent. A method was optimized for adsorption through a membrane approaching natural adsorption. This new method is simple, selective, and the lead adsorption time is about 3 days. The various properties of clay were determined. It was observed that the cation exchange capacity of the clay was 56 meq/100 g of hydrated clay for the raw sample and 82 meq/100 g for the purified sample. The total surface area determined by the methylene blue method was equal to 556 and 783 m(2)/g for the raw and purified samples, respectively. The adsorption kinetics depends on several parameters. The Pb(II) clay, obeys the Langmuir, Freundlich, and the Elovich adsorption isotherms with high regression coefficients. The use of this adsorbent notably decreases the cost of treatment. It was concluded that clay shows a strong adsorption capacity on Pb(II), the maximum interaction occurring with purified clay treated at high concentration of lead. It is proposed that this adsorption through a membrane be extended for the treatment of effluents containing other metals. PMID

  10. Hybrid adsorptive membrane reactor

    NASA Technical Reports Server (NTRS)

    Tsotsis, Theodore T. (Inventor); Sahimi, Muhammad (Inventor); Fayyaz-Najafi, Babak (Inventor); Harale, Aadesh (Inventor); Park, Byoung-Gi (Inventor); Liu, Paul K. T. (Inventor)

    2011-01-01

    A hybrid adsorbent-membrane reactor in which the chemical reaction, membrane separation, and product adsorption are coupled. Also disclosed are a dual-reactor apparatus and a process using the reactor or the apparatus.

  11. Hybrid adsorptive membrane reactor

    DOEpatents

    Tsotsis, Theodore T.; Sahimi, Muhammad; Fayyaz-Najafi, Babak; Harale, Aadesh; Park, Byoung-Gi; Liu, Paul K. T.

    2011-03-01

    A hybrid adsorbent-membrane reactor in which the chemical reaction, membrane separation, and product adsorption are coupled. Also disclosed are a dual-reactor apparatus and a process using the reactor or the apparatus.

  12. Relationship between adsorption of arsenic(III) and boron by soil and soil properties

    SciTech Connect

    Sakata, M.

    1987-11-01

    The distribution coefficients (K/sub d/) for arsenic(III) and boron in a linear adsorption isotherm were determined for 15 subsurface soils collected from different sites in Japan, and the relationship between those K/sub d/ values and soil properties was examined. The soils differed greatly in their chemical and physical properties. The K/sub d/ value for arsenic(III) was significantly correlated with the dithionite-extractable Fe content in the soils (r = 0.90), whereas a high positive correlation was also found between the K/sub d/ value for boron and the oxalate-extractable Al content in the soils (r = 0.98). These relationships imply that the adsorption of arsenic(III) and boron by soil is controlled mainly by levels of amorphous iron oxides and hydroxides for arsenic(III) and by levels of allophane for boron and are very useful for assessing the adsorption of arsenic(III) and boron released in the underlying soil layer at coal ash disposal sites. 22 references, 6 figures, 3 tables.

  13. Measurement of the absorption coefficient using the sound-intensity technique

    NASA Technical Reports Server (NTRS)

    Atwal, M.; Bernhard, R.

    1984-01-01

    The possibility of using the sound intensity technique to measure the absorption coefficient of a material is investigated. This technique measures the absorption coefficient by measuring the intensity incident on the sample and the net intensity reflected by the sample. Results obtained by this technique are compared with the standard techniques of measuring the change in the reverberation time and the standing wave ratio in a tube, thereby, calculating the random incident and the normal incident adsorption coefficient.

  14. Adsorption of herbicides using activated carbons

    SciTech Connect

    Derbyshire, F.; Jagtoyan, M.; Lafferty, C.; Kimber, G.

    1996-10-01

    This work describes development of a series of novel activated carbon materials and their testing for possible water treatment applications by studying the adsorption of sodium pentachlorphenolate, PCP (a common herbicide/wood preservative). Although the application of activated carbons is an established technology for the treatment of public water supplies, there is a growing need for materials with higher selectivity and adsorptive capacities as well as high abrasion resistance. The materials that will be discussed include extruded wood-derived carbons with novel pore size distributions and high hardness, as well as activated carbon fiber composites. Comparisons will be made with commercial granular water treatment carbons.

  15. Impact of soil properties on selected pharmaceuticals adsorption in soils

    NASA Astrophysics Data System (ADS)

    Kodesova, Radka; Kocarek, Martin; Klement, Ales; Fer, Miroslav; Golovko, Oksana; Grabic, Roman; Jaksik, Ondrej

    2014-05-01

    The presence of human and veterinary pharmaceuticals in the environment has been recognized as a potential threat. Pharmaceuticals may contaminate soils and consequently surface and groundwater. Study was therefore focused on the evaluation of selected pharmaceuticals adsorption in soils, as one of the parameters, which are necessary to know when assessing contaminant transport in soils. The goals of this study were: (1) to select representative soils of the Czech Republic and to measure soil physical and chemical properties; (2) to measure adsorption isotherms of selected pharmaceuticals; (3) to evaluate impact of soil properties on pharmaceutical adsorptions and to propose pedotransfer rules for estimating adsorption coefficients from the measured soil properties. Batch sorption tests were performed for 6 selected pharmaceuticals (beta blockers Atenolol and Metoprolol, anticonvulsant Carbamazepin, and antibiotics Clarithromycin, Trimetoprim and Sulfamethoxazol) and 13 representative soils (soil samples from surface horizons of 11 different soil types and 2 substrates). The Freundlich equations were used to describe adsorption isotherms. The simple correlations between measured physical and chemical soil properties (soil particle density, soil texture, oxidable organic carbon content, CaCO3 content, pH_H2O, pH_KCl, exchangeable acidity, cation exchange capacity, hydrolytic acidity, basic cation saturation, sorption complex saturation, salinity), and the Freundlich adsorption coefficients were assessed using Pearson correlation coefficient. Then multiple-linear regressions were applied to predict the Freundlich adsorption coefficients from measured soil properties. The largest adsorption was measured for Clarithromycin (average value of 227.1) and decreased as follows: Trimetoprim (22.5), Metoprolol (9.0), Atenolol (6.6), Carbamazepin (2.7), Sulfamethoxazol (1.9). Absorption coefficients for Atenolol and Metoprolol closely correlated (R=0.85), and both were also

  16. Critical analysis of adsorption data statistically

    NASA Astrophysics Data System (ADS)

    Kaushal, Achla; Singh, S. K.

    2016-09-01

    Experimental data can be presented, computed, and critically analysed in a different way using statistics. A variety of statistical tests are used to make decisions about the significance and validity of the experimental data. In the present study, adsorption was carried out to remove zinc ions from contaminated aqueous solution using mango leaf powder. The experimental data was analysed statistically by hypothesis testing applying t test, paired t test and Chi-square test to (a) test the optimum value of the process pH, (b) verify the success of experiment and (c) study the effect of adsorbent dose in zinc ion removal from aqueous solutions. Comparison of calculated and tabulated values of t and χ 2 showed the results in favour of the data collected from the experiment and this has been shown on probability charts. K value for Langmuir isotherm was 0.8582 and m value for Freundlich adsorption isotherm obtained was 0.725, both are <1, indicating favourable isotherms. Karl Pearson's correlation coefficient values for Langmuir and Freundlich adsorption isotherms were obtained as 0.99 and 0.95 respectively, which show higher degree of correlation between the variables. This validates the data obtained for adsorption of zinc ions from the contaminated aqueous solution with the help of mango leaf powder.

  17. The Lorenz Curve and the Gini Coefficient.

    ERIC Educational Resources Information Center

    Rycroft, Robert

    2003-01-01

    States that the Lorenz Curve and the Gini Coefficient is a Web-based interactive tutorial developed for students in an upper level, undergraduate, elective economics course about income and wealth distribution, poverty, and discrimination. States that students achieve mastery because they cannot complete the tutorial without adequate understanding…

  18. Adsorption dynamics of methyl violet onto granulated mesoporous carbon: Facile synthesis and adsorption kinetics.

    PubMed

    Kim, Yohan; Bae, Jiyeol; Park, Hosik; Suh, Jeong-Kwon; You, Young-Woo; Choi, Heechul

    2016-09-15

    A new and facile one-step synthesis method for preparing granulated mesoporous carbon (GMC) with three-dimensional spherical mesoporous symmetry is prepared to remove large molecular weight organic compounds in aqueous phase. GMC is synthesized in a single step using as-synthesized mesoporous carbon particles and organic binders through a simple and economical synthesis approach involving a simultaneous calcination and carbonization process. Characterization results obtained from SEM, XRD, as well as surface and porosity analysis indicate that the synthesized GMC has similar physical properties to those of the powdered mesoporous carbon and maintains the Brunauer-Emmett-Teller (BET) surface area and pore volume because the new synthesis method prevents the collapse of the pores during the granulation process. Batch adsorption experiments revealed GMC showed a substantial adsorption capacity (202.8 mg/g) for the removal of methyl violet as a target large molecular contaminant in aqueous phase. The mechanisms and dynamics modeling of GMC adsorption were also fully examined, which revealed that surface diffusion was rate limiting step on adsorption process of GMC. Adsorption kinetics of GMC enables 3 times faster than that of granular activated carbon in terms of surface diffusion coefficient. This is the first study, to the best of our knowledge, to synthesize GMC as an adsorbent for water purification by using facile granulation method and to investigate the adsorption kinetics and characteristics of GMC. This study introduces a new and simple method for the synthesis of GMC and reveals its adsorption characteristics for large molecular compounds in a water treatment.

  19. Evaluation of the adsorption capacity of alkali-treated waste materials for the adsorption of sulphamethoxazole.

    PubMed

    Kurup, Lisha

    2012-01-01

    The present work is to develop potential adsorbents from waste material and employ them for the removal of a hazardous antibacterial, sulphamethoxazole, from the wastewater by the Adsorption technique. The Adsorption technique was used to impound the dangerous antibiotics from wastewater using Deoiled Soya (DOS), an agricultural waste, and Water Hyacinth (WH), a prolific colonizer. The adsorption capacity of these adsorbents was further enhanced by treating them with sodium hydroxide solution and it was seen that the adsorption capacity increases by 10 to 25%. Hence a comparative account of the adsorption studies of all the four adsorbents, i.e. DOS, Alkali-treated DOS, WH and Alkali-treated Water Hyacinth has been discussed in this paper. Different isotherms like Freundlich, Langmuir and Dubinin-Radushkevich were also deduced from the adsorption data. Isotherm studies were in turn used in estimating the thermodynamic parameters. DOS showed sorption capacity of 0.0007 mol g(-1) while Alkali-treated Deoiled Soya exhibited 0.0011 mol g(-1) of sorption capacity, which reveals that the adsorption is higher in case of alkali-treated adsorbent. The mean sorption energy (E) was obtained between 9 and 12 kJ mol, which shows that the reaction proceeds by ion exchange reaction. Kinetic study reveals that the reaction follows pseudo-second-order rate equation. Moreover, mass transfer studies performed for the ongoing processes show that the mass transfer coefficient obtained for alkali-treated moieties was higher than the parent moieties. The breakthrough curves plotted from the column studies show percentage saturation of 90-98%. About 87-97% of sulphamethoxazole was recovered from column by desorption. PMID:22508113

  20. Adsorption dynamics of methyl violet onto granulated mesoporous carbon: Facile synthesis and adsorption kinetics.

    PubMed

    Kim, Yohan; Bae, Jiyeol; Park, Hosik; Suh, Jeong-Kwon; You, Young-Woo; Choi, Heechul

    2016-09-15

    A new and facile one-step synthesis method for preparing granulated mesoporous carbon (GMC) with three-dimensional spherical mesoporous symmetry is prepared to remove large molecular weight organic compounds in aqueous phase. GMC is synthesized in a single step using as-synthesized mesoporous carbon particles and organic binders through a simple and economical synthesis approach involving a simultaneous calcination and carbonization process. Characterization results obtained from SEM, XRD, as well as surface and porosity analysis indicate that the synthesized GMC has similar physical properties to those of the powdered mesoporous carbon and maintains the Brunauer-Emmett-Teller (BET) surface area and pore volume because the new synthesis method prevents the collapse of the pores during the granulation process. Batch adsorption experiments revealed GMC showed a substantial adsorption capacity (202.8 mg/g) for the removal of methyl violet as a target large molecular contaminant in aqueous phase. The mechanisms and dynamics modeling of GMC adsorption were also fully examined, which revealed that surface diffusion was rate limiting step on adsorption process of GMC. Adsorption kinetics of GMC enables 3 times faster than that of granular activated carbon in terms of surface diffusion coefficient. This is the first study, to the best of our knowledge, to synthesize GMC as an adsorbent for water purification by using facile granulation method and to investigate the adsorption kinetics and characteristics of GMC. This study introduces a new and simple method for the synthesis of GMC and reveals its adsorption characteristics for large molecular compounds in a water treatment. PMID:27262123

  1. Adsorption / Desorption Behavior of Water Vapor in an Adsorbent Desiccant Rotor

    NASA Astrophysics Data System (ADS)

    Tsujiguchi, Takuya; Kodama, Akio

    Adsorption / desorption behavior of water vapor onto desiccant rotor has been investigated to improve the desiccant cooling system by means of computer simulation. In this paper, we paid attention to the relationship between the equilibrium amount of water adsorbed onto the desiccant material and the relative humidity, that is adsorption isotherm as a principal characteristic feature of adsorbent. Considering actual adsorbents, five types of adsorption isotherms were assumed to clarify the influence of adsorption isotherm on the dehumidifying performance. After the investigation on the influences of some operating conditions on the dehumidifying performance at each selected adsorption isotherm, it was found that higher dehumidifying performance and reduction of length of desiccant rotor could be achieved by selecting appropriate adsorption isotherm. It was also predicted that S-shaped adsorption isotherm which is raised sharply at relative humidity around 15 % could produce the lowest air humidity at regeneration air temperature 80 °C. Moreover influence of the intraparticle diffusion coefficient which significantly influence on the adsorption / desorption rate was discussed choosing two adsorption isotherm from the above five isotherms. It seems that effective range of the intraparticle diffusion coefficient for the significant improvement of the dehumidifying performance was strongly influenced by the shape of adsorption isotherm.

  2. Effect of long term organic amendments on adsorption-desorption of thiram onto a luvisol soil derived from loess.

    PubMed

    Filipe, O M S; Vidal, M M; Scherer, H W; Schneider, R J; Duarte, A C; Esteves, V I; Santos, E B H

    2010-06-01

    The objective of this work was to assess the influence of soil organic amendments on the sorption properties of the fungicide thiram. The organic amendments studied were organic household compost (COM), sewage sludge from municipal water treatment facilities (SLU) and farmyard manure (FYM), which were compared to mineral fertilizer application (MIN). Sorption-desorption experiments were performed using the batch method and the results indicated that the adsorption isotherms were non-linear and were found to conform to the Brunauer-Emmett-Teller (BET) model, suggesting multilayer adsorption and adsorbate-adsorbate interactions after the saturation of the surface layer. In general, distribution coefficient values, K(D), are dependent on, but not proportional to, the initial concentration of thiram. For a fixed thiram initial concentration, a significant correlation (r(2)>0.851; p<0.001) between K(D) values and the soil organic carbon content (OC) was observed. The highest value of K(D) was observed for the soil amended with compost, which is the one with the highest organic carbon content. K(D) values were divided by the soil organic carbon contents in order to obtain organic carbon partition coefficients K(OC). Comparing K(OC) means from 3 (initial concentrations) x 4 (soil organic matter compositions) x 3 (replicates) factorial ANOVA allow us to conclude that there is a significant but not proportional influence of the initial concentration of thiram on those values, but changes in the soil organic matter composition, associated to different soil amendments, have no significant influence on adsorption of thiram. To evaluate the reversibility of thiram adsorption, two consecutive desorption cycles were performed with CaCl(2) 0.01 mol L(-1). The desorption K(D) values were consistently higher (approximately twice) than those for adsorption at the same equilibrium concentrations for all soil samples supporting the existence of hysteresis in the adsorption

  3. Opto-acoustic measurement of the local light absorption coefficient in turbid media: 1. Monte-Carlo simulation of laser fluence distribution at the beam axis beneath the surface of a turbid medium

    SciTech Connect

    Pelivanov, Ivan M; Barskaya, M I; Podymova, N B; Khokhlova, Tanya D; Karabutov, Aleksander A

    2009-09-30

    A new method for measuring the local light absorption coefficient in turbid media, for example, biological tissues, is proposed. The method is based on the fact that the amplitude of the excited opto-acoustic (OA) signal is proportional to the absorbed laser power density (the product of the light absorption coefficient and the laser fluence) at the medium interface. In the first part of the paper, the influence of the laser beam diameter, the light absorption and reduced scattering coefficients on the maximal amplitude of the laser fluence at the laser beam axis in the near-surface layer of the turbid medium is studied by using the Monte-Carlo simulation. The conditions are predicted under which the amplitude of the OA signal detected in a transparent medium in contact with the scattering medium should remain proportional to the light absorption coefficient of the medium under study, when the scattering coefficient in it changes more than twice. The results of the numerical simulation are used for the theoretical substantiation of the OA method being proposed. (measurement of parametrs of laser radiation)

  4. Adsorption of nicotine from aqueous solution onto hydrophobic zeolite type USY

    NASA Astrophysics Data System (ADS)

    Lazarevic, Natasa; Adnadjevic, Borivoj; Jovanovic, Jelena

    2011-07-01

    The isothermal adsorption of nicotine from an aqueous solution onto zeolite type USY was investigated. The adsorption isotherms of nicotine onto the zeolite at different temperatures ranging from 298 to 322 K were determined. It was found that the adsorption isotherms can be described by the model of Freundlich adsorption isotherm. Based on the adsorption isotherms the changes of adsorption heat, free energy and entropy with adsorption degree were determined. The determined decrease of adsorption heat with adsorption degree can be explained by the presence of the adsorption centers of different energy and concentration on interface of zeolite-nicotine solution. It was found that the probability function of density distribution of the heat of adsorption (DDF) has exponential form. It was concluded that the possibility of fitting the adsorption isotherms of nicotine onto the zeolite by Freundlich adsorption isotherm was a direct consequence of that. The determined increase in entropy with the increase in adsorption degree can be explained with the change of phase state of adsorbed nicotine.

  5. Characterization of micro- and mesoporous materials using accelerated dynamics adsorption.

    PubMed

    Qajar, Ali; Peer, Maryam; Rajagopalan, Ramakrishnan; Foley, Henry C

    2013-10-01

    Porosimetry is a fundamental characterization technique used in development of new porous materials for catalysis, membrane separation, and adsorptive gas storage. Conventional methods like nitrogen and argon adsorption at cryogenic temperatures suffer from slow adsorption dynamics especially for microporous materials. In addition, CO2, the other common probe, is only useful for micropore characterization unless being compressed to exceedingly high pressures to cover all required adsorption pressures. Here, we investigated the effect of adsorption temperature, pressure, and type of probe molecule on the adsorption dynamics. Methyl chloride (MeCl) was used as the probe molecule, and measurements were conducted near room temperature under nonisothermal condition and subatmospheric pressure. A pressure control algorithm was proposed to accelerate adsorption dynamics by manipulating the chemical potential of the gas. Collected adsorption data are transformed into pore size distribution profiles using the Horvath-Kavazoe (HK), Saito-Foley (SF), and modified Kelvin methods revised for MeCl. Our study shows that the proposed algorithm significantly speeds up the rate of data collection without compromising the accuracy of the measurements. On average, the adsorption rates on carbonaceous and aluminosilicate samples were accelerated by at least a factor of 4-5. PMID:23919893

  6. Adsorption on Highly Ordered Porous Alumina

    NASA Astrophysics Data System (ADS)

    Mistura, Giampaolo; Bruschi, Lorenzo; Lee, Woo

    2016-10-01

    Porous anodic aluminum oxide (AAO) is characterized by a regular arrangement of the pores with a narrow pore size distribution over extended areas, uniform pore depth, and solid pore walls without micropores. Thanks to significant improvements in anodization techniques, structural engineering of AAO allows to accurately tailor the pore morphology. These features make porous AAO an excellent substrate to study adsorption phenomena. In this paper, we review recent experiments involving the adsorption in porous AAO. Particular attention will be devoted to adsorption in straight and structured pores with a closed end which shed new light on fundamental issues like the origin of hysteresis in closed end pores and the nature of evaporation from ink-bottle pores. The results will be compared to those obtained in other synthetic materials like porous silicon and silica.

  7. Adsorption of gases on carbon molecular sieves

    SciTech Connect

    Vyas, S.N.; Patwardhan, S.R.; Vijayalakshmi, S. . Dept. of Chemical Engineering); Ganesh, K.S. )

    1994-12-01

    Adsorption on carbon molecular sieves (CMS) prepared by coke deposition has become an interesting area of adsorption due to its microporous nature and favorable separation factor on size and shape selectivity basis for many gaseous systems. In the present work CMS was synthesized from coconut shell through three major steps, namely, carbonization, activation, and coke deposition by hydrocarbon cracking. The crushed, washed, and sieved granules of coconut shell (particle size 2--3 mm) were pretreated with sodium silicate solution and oven-dried at 150 C to create the inorganic sites necessary for coke deposition. Carbonization and activation of the dried granules were carried out at 800 C, for 30 min each. The activated char thus produced was subjected to hydrocarbon cracking at 600 C for periods varying from 30 to 180 min. The product samples were characterized in terms of adsorption isotherm, kinetic adsorption curve, surface area, pore volume, pore size distribution, and characteristic energy for adsorption by using O[sub 2], N[sub 2], C[sub 2]H[sub 2], CO[sub 2], C[sub 3]H[sub 6], and CH[sub 4].

  8. Adsorption in sparse networks. 1: Cylinder model

    SciTech Connect

    Scherer, G.W.

    1998-06-15

    Materials with very low density, such as aerogels, are networks with polymers or chains of particles joined at nodes, where the spacing of the nodes is large compared to the thickness of the chains. In such a material, most of the solid surface has positive curvature, so condensation of an adsorbate is more difficult than condensation in a body containing cavities whose surfaces have negative curvature. A model is presented in which the network is represented by straight cylinders joined at nodes with coordination numbers 4, 6, or 12. The shape of the adsorbate/adsorptive interface is obtained for each network by minimizing its surface area. The adsorption behavior is found to depend on the ratio of the node separation, l, to the radius of the cylinders, a: if l/a exceeds a critical value (which depends on the coordination of the node), then the curvature of the adsorbate/adsorptive interface approaches zero while the adsorbate occupies a small fraction of the pore volume; if l/a is less than the critical value, then condensation occurs. Even in the latter case, interpretation of the adsorption isotherm in terms of cylindrical pores (as in the BJH model) yields apparent pore sizes much greater than the actual spacing of the nodes. In a companion paper, this model is applied to silica aerogels and found to give a good fit to both the adsorption and desorption curves with a single distribution of node spacings.

  9. Possibility of using adsorption refrigeration unit in district heating network

    NASA Astrophysics Data System (ADS)

    Grzebielec, Andrzej; Rusowicz, Artur; Jaworski, Maciej; Laskowski, Rafał

    2015-09-01

    Adsorption refrigeration systems are able to work with heat sources of temperature starting with 50 °C. The aim of the article is to determine whether in terms of technical and economic issues adsorption refrigeration equipment can work as elements that produce cold using hot water from the district heating network. For this purpose, examined was the work of the adsorption air conditioning equipment cooperating with drycooler, and the opportunities offered by the district heating network in Warsaw during the summer. It turns out that the efficiency of the adsorption device from the economic perspective is not sufficient for production of cold even during the transitional period. The main problem is not the low temperature of the water supply, but the large difference between the coefficients of performance, COPs, of adsorption device and a traditional compressor air conditioning unit. When outside air temperature is 25 °C, the COP of the compressor type reaches a value of 4.49, whereas that of the adsorption device in the same conditions is 0.14. The ratio of the COPs is 32. At the same time ratio between the price of 1 kWh of electric power and 1 kWh of heat is only 2.85. Adsorption refrigeration equipment to be able to compete with compressor devices, should feature COPads efficiency to be greater than 1.52. At such a low driving temperature and even changing the drycooler into the evaporative cooler it is not currently possible to achieve.

  10. Adsorption of cadmium(II) on waste biomaterial.

    PubMed

    Baláž, M; Bujňáková, Z; Baláž, P; Zorkovská, A; Danková, Z; Briančin, J

    2015-09-15

    Significant increase of the adsorption ability of the eggshell biomaterial toward cadmium was observed upon milling, as is evidenced by the value of maximum monolayer adsorption capacity of 329mgg(-1), which is markedly higher than in the case of most "green" sorbents. The main driving force of the adsorption was proven to be the presence of aragonite phase as a consequence of phase transformation from calcite occurring during milling. Cadmium is adsorbed in a non-reversible way, as documented by different techniques (desorption tests, XRD and EDX measurements). The optimum pH for cadmium adsorption was 7. The adsorption process was accompanied by the increase of the value of specific surface area. The course of adsorption has been described by Langmuir, Freundlich and Dubinin-Radushkevich isotherms. The adsorption kinetics was evaluated using three models, among which the best correlation coefficients and the best normalized standard deviation values were achieved for the pseudo-second order model and the intraparticle diffusion model, respectively.

  11. Adsorption of cadmium(II) on waste biomaterial.

    PubMed

    Baláž, M; Bujňáková, Z; Baláž, P; Zorkovská, A; Danková, Z; Briančin, J

    2015-09-15

    Significant increase of the adsorption ability of the eggshell biomaterial toward cadmium was observed upon milling, as is evidenced by the value of maximum monolayer adsorption capacity of 329mgg(-1), which is markedly higher than in the case of most "green" sorbents. The main driving force of the adsorption was proven to be the presence of aragonite phase as a consequence of phase transformation from calcite occurring during milling. Cadmium is adsorbed in a non-reversible way, as documented by different techniques (desorption tests, XRD and EDX measurements). The optimum pH for cadmium adsorption was 7. The adsorption process was accompanied by the increase of the value of specific surface area. The course of adsorption has been described by Langmuir, Freundlich and Dubinin-Radushkevich isotherms. The adsorption kinetics was evaluated using three models, among which the best correlation coefficients and the best normalized standard deviation values were achieved for the pseudo-second order model and the intraparticle diffusion model, respectively. PMID:26005798

  12. Shear viscosity coefficient of liquid lanthanides

    SciTech Connect

    Patel, H. P. Thakor, P. B. Prajapati, A. V.; Sonvane, Y. A.

    2015-05-15

    Present paper deals with the computation of shear viscosity coefficient (η) of liquid lanthanides. The effective pair potential v(r) is calculated through our newly constructed model potential. The Pair distribution function g(r) is calculated from PYHS reference system. To see the influence of local field correction function, Hartree (H), Tailor (T) and Sarkar et al (S) local field correction function are used. Present results are compared with available experimental as well as theoretical data. Lastly, we found that our newly constructed model potential successfully explains the shear viscosity coefficient (η) of liquid lanthanides.

  13. Averaging Internal Consistency Reliability Coefficients

    ERIC Educational Resources Information Center

    Feldt, Leonard S.; Charter, Richard A.

    2006-01-01

    Seven approaches to averaging reliability coefficients are presented. Each approach starts with a unique definition of the concept of "average," and no approach is more correct than the others. Six of the approaches are applicable to internal consistency coefficients. The seventh approach is specific to alternate-forms coefficients. Although the…

  14. Adsorption of enrofloxacin in presence of Zn(II) on a calcareous soil.

    PubMed

    Graouer-Bacart, Mareen; Sayen, Stéphanie; Guillon, Emmanuel

    2015-12-01

    As a result of their consumption, excretion, disposal and persistence, antibiotics enter the soil environment and may be transported to surface and ground waters. During their transfer through soils, retention processes play a key role in their mobility. Antibiotics often coexist with heavy metals in soils due to agricultural practices and other sources of inputs. In this context, this study deals with the co-adsorption of Zn(II) and enrofloxacin (ENR), a widely-used veterinary antibiotic, on a calcareous soil using batch retention experiments and X-ray Absorption Near Edge Structure (XANES) spectroscopy. To improve our understanding of the interaction of this emerging organic contaminant with metal cations at the water-soil interface, the ternary system containing ENR, Zn(II) and a selected calcareous soil was investigated over a pH range between 7 and 10, at different solid-solution contact times and ENR concentrations. The presence of Zn(II) slightly influenced the retention of the antibiotic, leading to an increase of the adsorbed ENR amounts. The distribution coefficient Kd value increased from 0.66 Lg(-1) for single ENR adsorption to 1.04 Lg(-1) in presence of Zn(II) at a 1/2 ENR/Zn(II) ratio. The combination of adsorption isotherm data, solution speciation diagrams and XANES spectra evidenced a small proportion of Zn(II)-ENR complexes at soil pH leading to the slight increase of ENR adsorption in presence of zinc. These results suggest that it is necessary to consider the interaction between ENR and metal cations when assessing the mobility of ENR in soils. PMID:26408826

  15. Mechanistic characterization of adsorption and slow desorption of phenanthrene aged in soils

    SciTech Connect

    Abdul Abu; Steve Smith

    2006-09-01

    Long-term adsorption of phenanthrene to soils was characterized in a silt-loam (LHS), a sandy soil (SBS) from an uncontaminated area of a former coal treatment facility in the north of England and a podzolized soil (CNS) by use of the Polanyi-Manes model, a Langmuir-type model, and a black carbon-water distribution coefficient (K{sub BC}) at a relative aqueous concentration (C{sub e}/S{sub w}) of 0.002 - 0.32. Aqueous desorption kinetic tests and temperature-programmed desorption (TPD) were also used to evaluate phenanthrene diffusivities and desorption activation energies. Adsorption contribution in soils was 48-70% after 30 days and 64-95% after 270 days. Significant increases in adsorption capacity with aging suggest that accessibility of phenanthrene to fractions of SBS soil matrix was controlled by sorptive diffusion at narrow meso- and micropore constrictions. Similar trends were not significant for LHS silt-loam or CNS podzol. Analysis of TPD profiles reveal desorption activation energies of 35-53 kJ/mol and diffusivities of 1.6 x 10{sup -7-}9.7 10{sup -8} cm{sup 2}/s. TPD tests also indicate that the fraction of phenanthrene mass not diffusing from soils was located within micropores and narrow width mesopores with a corresponding volume of 1.83 10{sup -5-}6.3710{sup -5} cm{sup 3}/g. These values were consistent with the modeled adsorption contributions, thus demonstrating the need for such complimentary analytical approach in the risk assessment of organic contaminants. 41 refs., 2 figs., 4 tabs.

  16. Adsorption of enrofloxacin in presence of Zn(II) on a calcareous soil.

    PubMed

    Graouer-Bacart, Mareen; Sayen, Stéphanie; Guillon, Emmanuel

    2015-12-01

    As a result of their consumption, excretion, disposal and persistence, antibiotics enter the soil environment and may be transported to surface and ground waters. During their transfer through soils, retention processes play a key role in their mobility. Antibiotics often coexist with heavy metals in soils due to agricultural practices and other sources of inputs. In this context, this study deals with the co-adsorption of Zn(II) and enrofloxacin (ENR), a widely-used veterinary antibiotic, on a calcareous soil using batch retention experiments and X-ray Absorption Near Edge Structure (XANES) spectroscopy. To improve our understanding of the interaction of this emerging organic contaminant with metal cations at the water-soil interface, the ternary system containing ENR, Zn(II) and a selected calcareous soil was investigated over a pH range between 7 and 10, at different solid-solution contact times and ENR concentrations. The presence of Zn(II) slightly influenced the retention of the antibiotic, leading to an increase of the adsorbed ENR amounts. The distribution coefficient Kd value increased from 0.66 Lg(-1) for single ENR adsorption to 1.04 Lg(-1) in presence of Zn(II) at a 1/2 ENR/Zn(II) ratio. The combination of adsorption isotherm data, solution speciation diagrams and XANES spectra evidenced a small proportion of Zn(II)-ENR complexes at soil pH leading to the slight increase of ENR adsorption in presence of zinc. These results suggest that it is necessary to consider the interaction between ENR and metal cations when assessing the mobility of ENR in soils.

  17. Adsorption of humic acids and trace metals in natural waters

    NASA Technical Reports Server (NTRS)

    Leung, W. H.

    1982-01-01

    Studies concerning the interactions between suspended hydrous iron oxide and dissolved humic acids and trace metals are reported. As a major component of dissolved organic matters and its readiness for adsorption at the solid/water interface, humic acids may play a very important role in the organometallic geochemistry of suspended sediments and in determining the fate and distribution of trace metals, pesticides and anions in natural water systems. Most of the solid phases in natural waters contain oxides and hydroxides. The most simple promising theory to describe the interactions of hydrous iron oxide interface is the surface complex formation model. In this model, the adsorptions of humic acids on hydrous iron oxide may be interpreted as complex formation of the organic bases (humic acid oxyanions) with surface Fe ions. Measurements on adsorptions were made in both fresh water and seawater. Attempts have been made to fit our data to Langmuir adsorption isotherm. Adsorption equilibrium constants were determined.

  18. Characterizing particle-scale equilibrium adsorption and kinetics of uranium(VI) desorption from U-contaminated sediments

    USGS Publications Warehouse

    Stoliker, Deborah L.; Liu, Chongxuan; Kent, Douglas B.; Zachara, John M.

    2013-01-01

    Rates of U(VI) release from individual dry-sieved size fractions of a field-aggregated, field-contaminated composite sediment from the seasonally saturated lower vadose zone of the Hanford 300-Area were examined in flow-through reactors to maintain quasi-constant chemical conditions. The principal source of variability in equilibrium U(VI) adsorption properties of the various size fractions was the impact of variable chemistry on adsorption. This source of variability was represented using surface complexation models (SCMs) with different stoichiometric coefficients with respect to hydrogen ion and carbonate concentrations for the different size fractions. A reactive transport model incorporating equilibrium expressions for cation exchange and calcite dissolution, along with rate expressions for aerobic respiration and silica dissolution, described the temporal evolution of solute concentrations observed during the flow-through reactor experiments. Kinetic U(VI) desorption was well described using a multirate SCM with an assumed lognormal distribution for the mass-transfer rate coefficients. The estimated mean and standard deviation of the rate coefficients were the same for all <2 mm size fractions but differed for the 2–8 mm size fraction. Micropore volumes, assessed using t-plots to analyze N2 desorption data, were also the same for all dry-sieved <2 mm size fractions, indicating a link between micropore volumes and mass-transfer rate properties. Pore volumes for dry-sieved size fractions exceeded values for the corresponding wet-sieved fractions. We hypothesize that repeated field wetting and drying cycles lead to the formation of aggregates and/or coatings containing (micro)pore networks which provided an additional mass-transfer resistance over that associated with individual particles. The 2–8 mm fraction exhibited a larger average and standard deviation in the distribution of mass-transfer rate coefficients, possibly caused by the abundance of

  19. Estimating biokinetic coefficients in the PACT™ system.

    PubMed

    Shen, Zhiyao; Arbuckle, Wm Brian

    2016-02-01

    When powdered activated carbon (PAC) is continuously added to the aeration tank of an activated sludge reactor, the modification is called a PACT™ process (for powdered activated carbon treatment). The PAC provides many benefits, but complicates the determination of biological phenomena. Determination of bio-oxidation kinetics in a PACT system is a key to fully understanding enhanced biological mechanisms resulting from PAC addition. A model is developed to account for the main mechanisms involved in the PACT system -- adsorption, air stripping and bio-oxidation. The model enables the investigation of biokinetic information, including possible synergistic effects. Six parallel reactors were used to treat a synthetic waste; three activated sludge and three PACT. The PACT reactors provided significantly reduced effluent TOC (total organic carbon). Biokinetic coefficients were obtained from steady-state data using averaged reactor data and by using all data (22 points for each reactor). As expected, the PACT reactors resulted in a substantial reduction in the effluent concentration of non-biodegradable total organic carbon. The Monod equation's half-saturation coefficient (Ks) was reduced significantly in the PACT reactors, resulting in higher growth rates at lower concentrations. The maximum specific substrate utilization (qm) rate was also reduced about 25% using the averaged data and remained unchanged using all the data. The substrate utilization values are affected by errors in biomass determination and more research is needed to accurately determine biomass.

  20. Estimating biokinetic coefficients in the PACT™ system.

    PubMed

    Shen, Zhiyao; Arbuckle, Wm Brian

    2016-02-01

    When powdered activated carbon (PAC) is continuously added to the aeration tank of an activated sludge reactor, the modification is called a PACT™ process (for powdered activated carbon treatment). The PAC provides many benefits, but complicates the determination of biological phenomena. Determination of bio-oxidation kinetics in a PACT system is a key to fully understanding enhanced biological mechanisms resulting from PAC addition. A model is developed to account for the main mechanisms involved in the PACT system -- adsorption, air stripping and bio-oxidation. The model enables the investigation of biokinetic information, including possible synergistic effects. Six parallel reactors were used to treat a synthetic waste; three activated sludge and three PACT. The PACT reactors provided significantly reduced effluent TOC (total organic carbon). Biokinetic coefficients were obtained from steady-state data using averaged reactor data and by using all data (22 points for each reactor). As expected, the PACT reactors resulted in a substantial reduction in the effluent concentration of non-biodegradable total organic carbon. The Monod equation's half-saturation coefficient (Ks) was reduced significantly in the PACT reactors, resulting in higher growth rates at lower concentrations. The maximum specific substrate utilization (qm) rate was also reduced about 25% using the averaged data and remained unchanged using all the data. The substrate utilization values are affected by errors in biomass determination and more research is needed to accurately determine biomass. PMID:26613352

  1. Evaluation of iodide and iodate for adsorption-desorption characteristics and bioavailability in three types of soil.

    PubMed

    Hong, Chunlai; Weng, Huanxin; Jilani, Ghulam; Yan, Ailan; Liu, Huiping; Xue, Zhiyong

    2012-05-01

    Adsorption-desorption of iodine in two forms, viz., iodide (I(-)) and iodate (IO (3) (-) ), in three types of soil were investigated. The soils were: red soil developed on Quaternary red earths (REQ)- clayey, kaolintic thermic plinthite Aquult, Inceptisol soil (IS) and alluvial soil (AS)-Fluvio-marine yellow loamy soil. The isothermal curves of iodine adsorption on soils were described by Langmuir and Freundlich equation, and the maximum adsorption values (y (m)) were obtained from the simple Langmuir model. As compared with the iodide, the iodate was adsorbed in higher amounts by the soils tested. Among three soils, the REQ soil adsorbed more iodine (I(-) and IO (3) (-) ) than the IS and AS. The distribution coefficient (K (d)) of iodine in the soils decreased exponentially with increasing iodine loading concentration. Desorption of iodine in soil was increased correspondingly with increasing adsorption values. The REQ soil had a greater affinity for iodine than the IS and AS at the same iodine loadings. In the pot experiment cultivated with pakchoi (Brassica chinensis L.) and added with two exogenous iodine sources, the iodide form was quickly taken up by pakchoi and caused more toxicity to the vegetable. The rate of iodine loss from soil was higher for iodide form as compared with the iodate. The iodine bioavailability was the highest but the persistence was the weakest in AS among the three soils tested, and the REQ soil showed just the opposite trend to that of the AS soil. This study is of theoretical importance to understand the relationship between iodine adsorption-desorption characteristics and their bioavailability in different soils and it also has practical implications for seeking effective alternatives of iodine biofortification to prevent iodine deficiency disorders.

  2. Adsorption and solvation of ethanol at the water liquid-vapor interface: a molecular dynamics study

    NASA Technical Reports Server (NTRS)

    Wilson, M. A.; Pohorille, A.

    1997-01-01

    The free energy profiles of methanol and ethanol at the water liquid-vapor interface at 310K were calculated using molecular dynamics computer simulations. Both alcohols exhibit a pronounced free energy minimum at the interface and, therefore, have positive adsorption at this interface. The surface excess was computed from the Gibbs adsorption isotherm and was found to be in good agreement with experimental results. Neither compound exhibits a free energy barrier between the bulk and the surface adsorbed state. Scattering calculations of ethanol molecules from a gas phase thermal distribution indicate that the mass accommodation coefficient is 0.98, and the molecules become thermalized within 10 ps of striking the interface. It was determined that the formation of the solvation structure around the ethanol molecule at the interface is not the rate-determining step in its uptake into water droplets. The motion of an ethanol molecule in a water lamella was followed for 30 ns. The time evolution of the probability distribution of finding an ethanol molecule that was initially located at the interface is very well described by the diffusion equation on the free energy surface.

  3. Evaluation of Adsorption Properties for Cs and Sr Selective Adsorbents-13171

    SciTech Connect

    Nakai, Tomonori; Wakabayashi, Syunya; Mimura, Hitoshi; Niibori, Yuichi; Kurosaki, Fumio; Matsukura, Minoru; Tanigawa, Hiroshi; Ishizaki, Eiji

    2013-07-01

    The development of effective treatment and disposal methods is very urgent and important subject. Tohoku University and UNION SHOWA have developed various selective adsorbents (zeolites, zeolite sheets and composites loaded with insoluble ferrocyanides) for the effective decontamination of radioactive Cs{sup +} and Sr{sup 2+} As for Cs{sup +} adsorption, CST, chabazite and insoluble ferrocyanides composites had relatively large distribution coefficients (K{sub d}) above 10{sup 3} cm{sup 3}/g and excellent adsorption kinetics in seawater. Even after high temperature calcination at 1,100 deg. C, cesium was still immobilized in the calcined products of Cs{sup +}-zeolites, suggesting high immobilization ability of zeolites for Cs{sup +}. As for Sr{sup 2+} adsorption, A and X zeolites had relatively large K{sub d} values around 10{sup 2} cm{sup 3}/g, and zeolite sheet (A zeolite) exhibited excellent adsorption kinetics in seawater. Considering the decontamination of radioactive Sr{sup 2+} in groundwater, the effects of Ca{sup 2+} and Mg{sup 2+} ions on the K{sub d} value of Sr{sup 2+} were further examined by batch method. The K{sub d} value of Sr{sup 2+} was almost independent of Mg{sup 2+} concentration up to 2,500 ppm, while gradually lowered in the presence of Ca{sup 2+} above 200 ppm, due to the differences in the ionic radius of hydrated ion. The Cs{sup +} and Sr{sup 2+} adsorption ability for KNiFC-A (composite of A zeolite loaded with insoluble ferrocyanides) was examined by batch method. Here the matrix of composite (A zeolite) and loaded ferrocyanides (KNiFC) have high selectivity towards Sr{sup 2+} and Cs{sup +}, respectively. The K{sub d} values of Sr{sup 2+} and Cs{sup +} in seawater were estimated to be above 10{sup 2} and 10{sup 3} cm{sup 3}/g, respectively, indicating the effectiveness for the decontamination of both Sr{sup 2+} and Cs{sup +}. The basic data on the Cs{sup +} and Sr{sup 2+} adsorption properties for selective adsorbents are effective for

  4. The adsorption of polyelectrolytes on nanoparticles

    NASA Astrophysics Data System (ADS)

    Gao, Jun

    The adsorption of poly(N- isopropylacrylainide) (PNIPAM) and gelatin on surfactant- free polystyrene (PS) nanoparticles has been investigated by a combination of static and dynamic laser light scattering (LLS). We found that the coil-to-globule transition of thermo-sensitive PNIPAM chains at PS hydrophobic surface was three degrees lower than the lower critical solution temperature (LCST) of the free PNIPAM chains in water. The transition at surface in turn increased the adsorbed amount by additional adsorption when the temperature increased across the LCST. We established a method based on static LLS to calculate the adsorbed amount. By combining with dynamic LLS measurements, we were able to calculate the average density of the adsorbed layer. We made a general conclusion: For long linear flexible polymer chains adsorbed on a spherical surface driven by hydrophobic attraction, the volume of the adsorbed layer is proportional to the square of the adsorbed amount. We further proposed a simple scaling of the density profile for linear polymer chains on hydrophobic surface. For the adsorption of amphoteric polyelectrolyte gelatin on the same PS nanoparticles, we found that if pure water is used as a dispersing agent, the adsorption was driven by electrostatic attraction. However, by pre-dissolving gelatin in small amount of formamide and then repeating the adsorption processes, the adsorption was switched to the hydrophobic attraction driving and the same relationship between the shell volume and the adsorbed amount as that for PNIPAM/PS system recurred. Formamide is believed to have screened out the electrostatic interactions and possible hydrogen binding. We also found a general structural model in the study of different polymeric dispersions: the surface area per-stabilizer occupied is a constant; and successfully applied this model to the core-shell nanostructure formed by the self- assembly of block copolymer micelles. The preparation of narrowly distributed PS

  5. New Adsorption Methods.

    ERIC Educational Resources Information Center

    Wankat, Phillip C.

    1984-01-01

    Discusses a simple method for following the movement of a solute in an adsorption or ion exchange system. This movement is used to study a variety of operational methods, including continuous flow and pulsed flow counter-current operations and simulated counter-current systems. Effect of changing thermodynamic variables is also considered. (JM)

  6. SEPARATION BY ADSORPTION

    DOEpatents

    Lowe, C.S.

    1959-06-16

    Separation of Pu from fission products by adsorption on hydrous aluminum silicate is described. The Pu in a HNO/sub 3/ solution is oxidized to the hexavalent state and contacted with the silicate which adsorbs fission products. (T.R.H.)

  7. Understanding mechanisms of asphaltene adsorption from organic solvent on mica.

    PubMed

    Natarajan, Anand; Kuznicki, Natalie; Harbottle, David; Masliyah, Jacob; Zeng, Hongbo; Xu, Zhenghe

    2014-08-12

    The adsorption process of asphaltene onto molecularly smooth mica surfaces from toluene solutions of various concentrations (0.01-1 wt %) was studied using a surface forces apparatus (SFA). Adsorption of asphaltenes onto mica was found to be highly dependent on adsorption time and asphaltene concentration of the solution. The adsorption of asphaltenes led to an attractive bridging force between the mica surfaces in asphaltene solution. The adsorption process was identified as being controlled by the diffusion of asphaltenes from the bulk solution to the mica surface with a diffusion coefficient on the order of 10(-10) m(2)/s at room temperature, depending on the asphaltene bulk concentration. This diffusion coefficient corresponds to a hydrodynamic molecular radius of approximately 0.5 nm, indicating that asphaltene diffuses to mica surfaces as individual molecules at very low concentration (e.g., 0.01 wt %). Atomic force microscopy images of the adsorbed asphaltenes on mica support the results of the SFA force measurements. The results from the SFA force measurements provide valuable insights into the molecular interactions (e.g., steric repulsion and bridging attraction as a function of distance) of asphaltenes in organic media and hence their roles in crude oil and bitumen production.

  8. Dependence of the osmotic coefficients and average ionic activity coefficients on hydrophobic hydration in solutions

    NASA Astrophysics Data System (ADS)

    Sergievskii, V. V.; Rudakov, A. M.

    2016-08-01

    The model that considers the nonideality of aqueous solutions of electrolytes with allowance for independent contributions of hydration of ions of various types and electrostatic interactions was substantiated using the cluster ion model. The empirical parameters in the model equations were found to be the hydrophilic and hydrophobic hydration numbers of ions in the standard state and the dispersion of their distribution over the stoichiometric coefficients. A mathematically adequate description of the concentration dependences of the osmotic coefficients and average ion activity coefficients of electrolytes was given for several systems. The difference in the rate of the decrease in the hydrophilic and hydrophobic hydration numbers of ions leads to extremum concentration dependences of the osmotic coefficients, which were determined by other authors from isopiestic data for many electrolytes and did not find explanation.

  9. Inbreeding coefficients and coalescence times.

    PubMed

    Slatkin, M

    1991-10-01

    This paper describes the relationship between probabilities of identity by descent and the distribution of coalescence times. By using the relationship between coalescence times and identity probabilities, it is possible to extend existing results for inbreeding coefficients in regular systems of mating to find the distribution of coalescence times and the mean coalescence times. It is also possible to express Sewall Wright's FST as the ratio of average coalescence times of different pairs of genes. That simplifies the analysis of models of subdivided populations because the average coalescence time can be found by computing separately the time it takes for two genes to enter a single subpopulation and time it takes for two genes in the same subpopulation to coalesce. The first time depends only on the migration matrix and the second time depends only on the total number of individuals in the population. This approach is used to find FST in the finite island model and in one- and two-dimensional stepping-stone models. It is also used to find the rate of approach of FST to its equilibrium value. These results are discussed in terms of different measures of genetic distance. It is proposed that, for the purposes of describing the amount of gene flow among local populations, the effective migration rate between pairs of local populations, M, which is the migration rate that would be estimated for those two populations if they were actually in an island model, provides a simple and useful measure of genetic similarity that can be defined for either allozyme or DNA sequence data.

  10. Equilibrium and kinetics of adsorption of Freon-12 at infinite dilution

    SciTech Connect

    Golden, T.C.; Sircar, S. )

    1994-06-01

    Equilibrium and kinetic data for adsorption of trace CF[sub 2]Cl[sub 2] (Freon-12) from various carrier gased on BPL activated carbon are reported. Coadsorption of the bulk carrier gas can severely reduce the equilibrium adsorption capacity and adsorptive mass-transfer coefficient of strongly adsorbed CF[sub 2]Cl[sub 2]. The difference in size between CF[sub 2]Cl[sub 2] and the bulk carrier gas molecules plays a major role in establishing the binary or multicomponent equilibrium adsorption properties. The multisite (singe and multicomponent) Langmuir model, which accounts for differences in adsorbate sizes, provides a reasonable framework for describing the size effects. The adsorptive mass transfer of CF[sub 2]Cl[sub 2] under the experimental conditions investigated is dominated by surface diffusion into the pores of the activated carbon. The surface diffusivity is a strong function of the extent of coverage and strength of adsorption of the bulk components.

  11. Adsorption of dissolved Reactive red dye from aqueous phase onto activated carbon prepared from agricultural waste.

    PubMed

    Senthilkumaar, S; Kalaamani, P; Porkodi, K; Varadarajan, P R; Subburaam, C V

    2006-09-01

    The adsorption of Reactive red dye (RR) onto Coconut tree flower carbon (CFC) and Jute fibre carbon (JFC) from aqueous solution was investigated. Adsorption studies were carried out at different initial dye concentrations, initial solution pH and adsorbent doses. The kinetic studies were also conducted; the adsorption of Reactive red onto CFC and JFC followed pseudosecond-order rate equation. The effective diffusion coefficient was evaluated to establish the film diffusion mechanism. Quantitative removal of Reactive red dye was achieved at strongly acidic conditions for both the carbons studied. The adsorption isotherm data were fitted well to Langmuir isotherm and the adsorption capacity were found to be 181.9 and 200 mg/g for CFC and JFC, respectively. The overall rate of dye adsorption appeared to be controlled by chemisorption, in this case in accordance with poor desorption studies.

  12. Reference Material for Seebeck Coefficients

    NASA Astrophysics Data System (ADS)

    Edler, F.; Lenz, E.; Haupt, S.

    2015-03-01

    This paper describes a measurement method and a measuring system to determine absolute Seebeck coefficients of thermoelectric bulk materials with the aim of establishing reference materials for Seebeck coefficients. Reference materials with known thermoelectric properties are essential to allow a reliable benchmarking of different thermoelectric materials for application in thermoelectric generators to convert thermal into electrical energy or vice versa. A temperature gradient (1 to 8) K is induced across the sample, and the resulting voltage is measured by using two differential Au/Pt thermocouples. On the basis of the known absolute Seebeck coefficients of Au and Pt, the unknown Seebeck coefficient of the sample is calculated. The measurements are performed in inert atmospheres and at low pressure (30 to 60) mbar in the temperature range between 300 K and 860 K. The measurement results of the Seebeck coefficients of metallic and semiconducting samples are presented. Achievable relative measurement uncertainties of the Seebeck coefficient are on the order of a few percent.

  13. Adsorption-induced reversible colloidal aggregation

    NASA Astrophysics Data System (ADS)

    Law, B. M.; Petit, J.-M.; Beysens, D.

    1998-05-01

    Reversible colloidal aggregation in binary liquid mixtures has been studied for a number of years. As the phase separation temperature of the liquid mixture is approached the thickness of an adsorption layer around the colloidal particles increases. Beysens et al. [Phys. Rev. Lett. 54, 2123 (1985); Ber. Bunsenges. Phys. Chem. 98, 382 (1994)] have demonstrated experimentally that this adsorption layer is intimately connected with the aggregation of the colloidal particles; however, no definitive theory has been available that can explain all of the experimental observations. In a recent work [J.-M. Petit, B. M. Law, and D. Beysens, J. Colloid Interface Sci. (to be published)] we have extended and improved the Derjaguin-Landau-Verwey-Overbeek theory of colloidal aggregation [E. J. W. Verwey and J. Th. G. Overbeek, Theory of the Stability of Lyophobic Colloids (Elsevier, New York, 1948)] by taking into account the presence of an adsorption layer and by more realistically modeling the attractive dispersion interactions using the Dzyaloshinskii-Lifshitz-Pitaevskii theory [Adv. Phys. 10, 165 (1961)]. In the present paper we apply this theory to a lutidine-water mixture containing a small volume fraction of silica colloidal particles. We demonstrate that the theory can quantitatively account for many of the experimentally observed features such as the characteristics of the aggregated state, the general shape of the aggregation line, and the temperature dependence of the second virial coefficient.

  14. Carbonaceous materials for adsorptive refrigerators

    NASA Astrophysics Data System (ADS)

    Buczek, B.; Wolak, E.

    2012-06-01

    Carbon monoliths prepared from hard coal precursors were obtained. The porous structure of the monoliths was evaluated on the basis of nitrogen adsorption — desorption equilibrium data. The investigated monoliths have a well-developed microporous structure with significant specific surface area (S BET ). Equilibrium studies of methanol vapour adsorption were used to characterize the methanol adsorptive capacity that was determined using a volumetric method. The heat of wetting by methanol was determined in order to estimate the energetic effects of the adsorption process. The results of the investigations show that all monoliths exhibit high adsorption capacity and high heat of wetting with methanol.

  15. Design theory and performance of cryogenic molecular adsorption refrigeration systems

    NASA Technical Reports Server (NTRS)

    Hartwig, W. H.; Woltman, A. W.; Masson, J. P.

    1978-01-01

    Closed-cycle operation of molecular adsorption refrigeration systems (MARS) has been demonstrated by using thermally cycled zeolites to adsorb and desorb various gases under pressures of 20-60 atm. This paper develops three aspects of the design theory: the physical theory of molecular adsorption of small molecules such as A, N2, N2O and NH3, the design relations for closed-cycle flow for three or more compressors, and the coefficient of performance. This work is intended to demonstrate nonmechanical gas compression for various cryogenic gases than can compete with mechanical systems with a different mix of advantages and disadvantages.

  16. Removal of radium from acidic solutions containing same by adsorption on coal fly ash

    DOEpatents

    Scheitlin, Frank M.

    1984-01-01

    The invention is a process for the removal of radium from acidic aqueous solutions. In one aspect, the invention is a process for removing radium from an inorganic-acid solution. The process comprises contacting the solution with coal fly ash to effect adsorption of the radium on the ash. The radium-containing ash then is separated from the solution. The process is simple, comparatively inexpensive, and efficient. High radium-distribution coefficients are obtained even at room temperature. Coal fly ash is an inexpensive, acid-resistant, high-surface-area material which is available in large quantities throughout the United States. The invention is applicable, for example, to the recovery of .sup.226 Ra from nitric acid solutions which have been used to leach radium from uranium-mill tailings.

  17. Coefficient Alpha: A Reliability Coefficient for the 21st Century?

    ERIC Educational Resources Information Center

    Yang, Yanyun; Green, Samuel B.

    2011-01-01

    Coefficient alpha is almost universally applied to assess reliability of scales in psychology. We argue that researchers should consider alternatives to coefficient alpha. Our preference is for structural equation modeling (SEM) estimates of reliability because they are informative and allow for an empirical evaluation of the assumptions…

  18. Adsorption Kinetics at Silica Gel/Ionic Liquid Solution Interface.

    PubMed

    Flieger, Jolanta; Tatarczak-Michalewska, Małgorzata; Groszek, Anna; Blicharska, Eliza; Kocjan, Ryszard

    2015-12-10

    A series of imidazolium and pyridinium ionic liquids with different anions (Cl(-), Br(-), BF₄(-), PF₆(-)) has been evaluated for their adsorption activity on silica gel. Quantification of the ionic liquids has been performed by the use of RP-HPLC with organic-aqueous eluents containing an acidic buffer and a chaotropic salt. Pseudo-second order kinetic models were applied to the experimental data in order to investigate the kinetics of the adsorption process. The experimental data showed good fitting with this model, confirmed by considerably high correlation coefficients. The adsorption kinetic parameters were determined and analyzed. The relative error between the calculated and experimental amount of ionic liquid adsorbed at equilibrium was within 7%. The effect of various factors such as initial ionic liquid concentration, temperature, kind of solvent, kind of ionic liquid anion and cation on adsorption efficiency were all examined in a lab-scale study. Consequently, silica gel showed better adsorptive characteristics for imidazolium-based ionic liquids with chaotropic anions from aqueous solutions in comparison to pyridinium ionic liquids. The adsorption was found to decrease with the addition of organic solvents (methanol, acetonitrile) but it was not sensitive to the change of temperature in the range of 5-40 °C.

  19. Adsorption and desorption of chlorpyrifos to soils and sediments.

    PubMed

    Gebremariam, Seyoum Yami; Beutel, Marc W; Yonge, David R; Flury, Markus; Harsh, James B

    2012-01-01

    Chlorpyrifos, one of the most widely used insecticides, has been detected in air, rain, marine sediments, surface waters, drinking water wells, and solid and liquid dietary samples collected from urban and rural areas. Its metabolite, TCP, has also been widely detected in urinary samples collected from people of various age groups. With a goal of elucidating the factors that control the environmental contamination, impact, persistence, and ecotoxicity of chlorpyrifos, we examine, in this review, the peer-reviewed literature relating to chlorpyrifos adsorption and desorption behavior in various solid-phase matrices. Adsorption tends to reduce chlorpyrifos mobility, but adsorption to erodible particulates, dissolved organic matter, or mobile inorganic colloids enhances its mobility. Adsorption to suspended sediments and particulates constitutes a major off-site migration route for chlorpyrifos to surface waters, wherein it poses a potential danger to aquatic organisms. Adsorption increases the persistence of chlorpyrifos in the environment by reducing its avail- ability to a wide range of dissipative and degradative forces, whereas the effect of adsorption on its ecotoxicity is dependent upon the route of exposure. Chlorpyrifos adsorbs to soils, aquatic sediments, organic matter, and clay minerals to differing degrees. Its adsorption strongly correlates with organic carbon con- tent of the soils and sediments. A comprehensive review of studies that relied on the batch equilibrium technique yields mean and median Kd values for chlorpyrifos of 271 and 116 L/kg for soils, and 385 and 403 L/kg for aquatic sediments. Chlorpyrifos adsorption coefficients spanned two orders of magnitude in soils. Normalizing the partition coefficient to organic content failed to substantially reduce variability to commonly acceptable level of variation. Mean and median values for chlorpyrifos partition coefficients normalized to organic carbon, K, were 8,163 and 7,227 L/kg for soils and 13

  20. Adsorption of Polymers on Rough Surfaces

    NASA Astrophysics Data System (ADS)

    Venkatakrishnan, Abishek; Kuppa, Vikram

    2014-03-01

    Most of the surfaces encountered in nature display irregularity and self-similarity at certain length scales. Such real surfaces can be mimicked via fractal surfaces using an algorithm that produces random surfaces. The problem of polymer chains adsorbed on smooth surfaces has been well understood whereas adsorption on rough surfaces still remains unclear due to the complexity involved in equilibration and sampling of molecules in such systems. The enthalpic interactions between the monomers and the entropic penalty arising due to adsorption on rough surfaces are significantly different from smooth surfaces. In this study, we investigate the adsorption of freely rotating polymer chains on fractal surfaces by Monte-Carlo molecular simulations. Random fractal surfaces are generated using the diamond-square algorithm for different values of the Hurst parameter. Properties like monomer-surface interaction, density profiles, chain orientation profiles and distribution of adsorbed chain fractions are investigated. We also demonstrate the significant effect of fractal dimension on adsorption of polymers on rough surfaces.

  1. Adsorption of tetracycline from aqueous solutions onto multi-walled carbon nanotubes with different oxygen contents

    PubMed Central

    Yu, Fei; Ma, Jie; Han, Sheng

    2014-01-01

    Oxidized multi-walled carbon nanotubes (MWCNTs) with different oxygen contents were investigated for the adsorption of tetracycline (TC) from aqueous solutions. As the surface oxygen content of the MWCNTs increased, the maximum adsorption capacity and adsorption coefficient of TC increased to the largest values and then decreased. The relation can be attributed to the interplay between the nanotubes' dispersibility and the water cluster formation upon TC adsorption. The overall adsorption kinetics of TC onto CNTs-3.2%O might be dependent on both intra-particle diffusion and boundary layer diffusion. The maximum adsorption capacity of TC on CNTs-3.2%O was achieved in the pH range of 3.3–8.0 due to formation of water clusters or H-bonds. Furthermore, the presence of Cu2+ could significantly enhanced TC adsorption at pH of 5.0. However, the solution ionic strength did not exhibit remarkable effect on TC adsorption. In addition, when pH is beyond the range (3.3–8.0), the electrostatic interactions caused the decrease of TC adsorption capacity. Our results indicate that surface properties and aqueous solution chemistry play important roles in TC adsorption on MWCNTs. PMID:24937315

  2. Adsorption of nitrogen-heterocyclic compounds on bamboo charcoal: kinetics, thermodynamics, and microwave regeneration.

    PubMed

    Liao, Peng; Yuan, Songhu; Xie, Wenjing; Zhang, Wenbiao; Tong, Man; Wang, Kun

    2013-01-15

    The adsorption kinetics and thermodynamics of nitrogen-heterocyclic compounds (NHCs), pyridine, indole and quinoline, in aqueous solutions on bamboo charcoal (BC), as well as the regeneration of spent BC by microwave radiation, are investigated. BC is produced by incomplete combustion of moso bamboo at high temperature and nitrogen atmosphere. Adsorption kinetics is analyzed using pseudo-first-order and pseudo-second-order as well as Weber-Morris model. The results show that NHC adsorption on BC is predominantly regulated by surface diffusion in initial 1h followed by intraparticle diffusion in later stage. BC exhibits a strong adsorption affinity to NHCs, and the adsorption isotherms are well described by Freundlich model. Thermodynamic analysis indicates that the adsorption is spontaneous and endothermic. Adsorption site energy analysis illustrates a distribution of adsorption energy, which indicates the heterogeneous sites on BC for NHC adsorption. Furthermore, spent BC with NHC adsorption can be effectively regenerated by MW radiation. The adsorption capacity becomes even higher than that of virgin BC after five times of adsorption-regeneration cycles. This study proves BC is a promising adsorbent for NHC removal in wastewater.

  3. Adsorption energies and prefactor determination for CH3OH adsorption on graphite.

    PubMed

    Doronin, M; Bertin, M; Michaut, X; Philippe, L; Fillion, J-H

    2015-08-28

    In this paper, we have studied adsorption and thermal desorption of methanol CH3OH on graphite surface, with the specific aim to derive from experimental data quantitative parameters that govern the desorption, namely, adsorption energy Eads and prefactor ν of the Polanyi-Wigner law. In low coverage regime, these two values are interconnected and usually the experiments can be reproduced with any couple (Eads, ν), which makes intercomparison between studies difficult since the results depend on the extraction method. Here, we use a method for determining independently the average adsorption energy and a prefactor value that works over a large range of incident methanol coverage, from a limited set of desorption curves performed at different heating rates. In the low coverage regime the procedure is based on a first order kinetic law, and considers an adsorption energy distribution which is not expected to vary with the applied heating rate. In the case of CH3OH multilayers, Eads is determined as 430 meV with a prefactor of 5 × 10(14) s(-1). For CH3OH submonolayers on graphite, adsorption energy of 470 ± 30 meV and a prefactor of (8 ± 3) × 10(16) s(-1) have been found. These last values, which do not change between 0.09 ML and 1 ML initial coverage, suggest that the methanol molecules form island-like structure on the graphite even at low coverage.

  4. Competitive adsorption, displacement, and transport of organic matter on iron oxide: I. Competitive adsorption

    NASA Astrophysics Data System (ADS)

    Gu, Baohua; Mehlhorn, Tonia L.; Liang, Liyuan; McCarthy, John F.

    1996-06-01

    Different organic compounds or fractions of natural organic matter (NOM) show different adsorption affinities ( K) and capacities ( qm) on mineral surfaces. We hypothesize that these different organic compounds or fractions compete for adsorption when surface adsorption sites are limited. In this study, competitive adsorption of binary mixtures of Suwannee River NOM (SR-NOM), polyacrylic acid (PAA), phthalic acid, and salicylic acid on iron oxide was investigated at a constant solid:solution ratio, temperature, and pressure, but at varying C weight fractions, pH, and solution concentrations of the mixture. Results revealed that, in general, PAA is the most competitive whereas SR-NOM is more competitive than phthalic and salicylic acids. The competitive adsorption of these organic compounds is pH-dependent. At pH < 4, PAA becomes less competitive than SR-NOM or phthalic and salicylic acids. The competition among these organic compounds may be related to their carboxyl functional groups and their molecular structure. The overall strong competitiveness of PAA at pH > 4 in comparison with other organics is attributed to its high carboxyl density and linear molecular structure, which promote strong surface complexation with iron oxide. Because of the heterogeneity or polydispersity of NOM, this research indicates that NOM partitioning and transport in the subsurface soil environment are influenced by the dynamic competitive interactions between NOM subcomponents (or fractions). This process ultimately influences the distribution, interaction, and cotransport of contaminants and mineral colloids that are associated with NOM.

  5. Adsorption, desorption and mobility of cyfluthrin in three Malaysian tropical soils of different textures.

    PubMed

    Lsmail, B S; Choo, Lee Yin; Salmijah, S; Halimah, M; Tayeb, M A

    2015-09-01

    The sorption and desorption of cyfluthrin mixture isomers were determined using batch equilibration method and mobility was studied under laboratory conditions, using packed soil column. The soil types used in the study were clayey, clay loam and sandy clay loam obtained from three tomato farms in Cameron Highlands. A low Freundlich adsorption distribution coefficient K(ads(f)) for cyfluthrin was observed for clayey, clay loam and sandy clay loam soils (95.69, 21.64 and 8.99 l/kg, respectively). Results showed that cyfluthrin had high Freundlich organic matter (OM) distribution coefficient K(oc) values of 5799, 2278 and 1635 lkg(-1) for clayey, clay loam and sandy clay loam soils, respectively. These values indicate that cyfluthrin is considered immobile in Malaysian soils with different textures, based on the value of K(oc) by McCall. Adsorption of cyfluthrin was significantly (P < 0.05) affected with soil pH, fertilizer NPK, organic matter content and temperature. It was observed that approximately 95.8%, 93.8% and 91.8% of the adsorbed cyfluthrin remained sorbed after four successive rinses for clayey, clay loam and sandy clay loam soils. Soil column test showed that cyfluthrin was not detected in leachate. Cyfluthrin was detected in topsoil and its concentration decreased with depth. The downward movement of cyfluthrin in sandy clay loam soil was more than that in clay loam and clayey soils. Approximately, 80.9%, 77.8% and 67.3% cyfluthrin was observed at the depth of 0-5 cm (rainfall 350 mm) for clayey, clay loam and sandy clay loam soils respectively. Mobility of cyfluthrin showed that the percentage of cyfluthrin leached into soil was not affected by the amount of rainfall. The result clearly showed that cyfluthrin molecules were bound strongly to all the three Malaysian soil types. PMID:26521552

  6. Extracorporeal adsorption of endotoxin.

    PubMed

    Staubach, K H; Rosenfeldt, J A; Veit, O; Bruch, H P

    1997-02-01

    In a porcine endotoxin shock model using a continuous intravenous endotoxin infusion of 250 ng/kg body weight per hour, the cardiorespiratory and hematologic parameters were studied while applying a new on-line polymyxin B immobilized adsorption system. This preliminary report shows that the new adsorbent can remove endotoxin selectively from the circulation and confers a good amount of protection from endotoxin-induced cardiopulmonary decompensation as well as hematologic alterations. Survival time could be extended from 216 min to 313 min. Whereas cardiac output and mean arterial pressure declined critically after 3 h in the controls, the treated group remained stable for another 3 h. These data show that endotoxin adsorption by polymyxin B coupled covalently to acrylic spheres as an adjunctive on-line measure in the septic syndrome seems feasible. PMID:10225785

  7. Effect of Grain Size on Uranium(VI) Surface Complexation Kinetics and Adsorption Additivity

    SciTech Connect

    Shang, Jianying; Liu, Chongxuan; Wang, Zheming; Zachara, John M.

    2011-07-27

    Laboratory experiments were performed to investigate the contribution of variable grain sizes to uranium adsorption/desorption in a sediment collected from the US DOE Hanford site. The sediment was wet-sieved into four size fractions: coarse sand (1-2 mm), medium sand (0.2-1 mm), fine sand (0.05-0.2 mm), and clay/silt fraction (< 0.05mm). For each size fraction and their composite (sediment), batch experiments were performed to determine uranium adsorption isotherms, and stirred flow-cell experiments were conducted to derive kinetic data of uranium adsorption and subsequent desorption. The results showed that uranium adsorption isotherms and adsorption/desorption kinetics were size-specific, reflecting the effects of size-specific adsorption site concentration and kinetic rate constants. The larger-size fraction had a larger mass percentage in the sediment, but with a smaller adsorption site concentration and generally a slower uranium adsorption/desorption rate. The same equilibrium surface complexation reaction and reaction constant could describe uranium adsorption isotherms for all size fractions and the composite after accounting for the effect of adsorption site concentration. Mass-weighted, linear additivity was observed for both uranium adsorption isotherms and adsorption/desorption kinetics in the composite. Our analysis also showed that uranium adsorption site concentration estimated from the adsorption isotherms was 3 orders of magnitude less than a site concentration estimated from sediment surface area and generic site density. One important implication of this study is that grain size distribution may be used to estimate uranium adsorption site, and adsorption/desorption kinetic rates in heterogeneous sediments from a common location.

  8. Regenerable adsorption system

    NASA Technical Reports Server (NTRS)

    Roychoudhury, Subir (Inventor); Perry, Jay (Inventor); Walsh, Dennis (Inventor)

    2006-01-01

    A method for regenerable adsorption includes providing a substrate that defines at least one layer of ultra short channel length mesh capable of conducting an electrical current therethrough, coating at least a portion of the substrate with a desired sorbent for trace contaminant control or CO.sub.2 sorption, resistively heating the substrate, and passing a flowstream through the substrate and in contact with the sorbent.

  9. Graph characterization via Ihara coefficients.

    PubMed

    Ren, Peng; Wilson, Richard C; Hancock, Edwin R

    2011-02-01

    The novel contributions of this paper are twofold. First, we demonstrate how to characterize unweighted graphs in a permutation-invariant manner using the polynomial coefficients from the Ihara zeta function, i.e., the Ihara coefficients. Second, we generalize the definition of the Ihara coefficients to edge-weighted graphs. For an unweighted graph, the Ihara zeta function is the reciprocal of a quasi characteristic polynomial of the adjacency matrix of the associated oriented line graph. Since the Ihara zeta function has poles that give rise to infinities, the most convenient numerically stable representation is to work with the coefficients of the quasi characteristic polynomial. Moreover, the polynomial coefficients are invariant to vertex order permutations and also convey information concerning the cycle structure of the graph. To generalize the representation to edge-weighted graphs, we make use of the reduced Bartholdi zeta function. We prove that the computation of the Ihara coefficients for unweighted graphs is a special case of our proposed method for unit edge weights. We also present a spectral analysis of the Ihara coefficients and indicate their advantages over other graph spectral methods. We apply the proposed graph characterization method to capturing graph-class structure and clustering graphs. Experimental results reveal that the Ihara coefficients are more effective than methods based on Laplacian spectra.

  10. Adsorption of levofloxacin onto goethite: effects of pH, calcium and phosphate.

    PubMed

    Qin, Xiaopeng; Liu, Fei; Wang, Guangcai; Weng, Liping; Li, Lu

    2014-04-01

    Adsorption of levofloxacin (LEV), one of the extensively used antibiotics, onto goethite was investigated using batch experiments. The adsorption of LEV on goethite was pH-dependent. A maximum adsorption was reached at pH 6. Above or below pH 6, the adsorption decreased. In the presence of calcium (Ca(2+)), a decrease in adsorption was observed, due to probably formation of Ca(2+)-LEV complexes in solutions. Phosphate also showed a significant inhibition on LEV adsorption over a pH range of 3-10. Phosphate competed with LEV for binding sites on the surface of goethite, and the electrostatic competition between LEV and phosphate on goethite surface might be another reason for the decrease in adsorption. These results indicated that Ca(2+) and phosphate have a great influence on the distribution of LEV in soils and waters, which will eventually affect its antibacterial activity in the environment.

  11. Sub-ambient carbon dioxide adsorption properties of nitrogen doped graphene

    SciTech Connect

    Tamilarasan, P.; Ramaprabhu, Sundara

    2015-04-14

    Carbon dioxide adsorption on carbon surface can be enhanced by doping the surface with heterogeneous atoms, which can increase local surface affinity. This study presents the carbon dioxide adsorption properties of nitrogen doped graphene at low pressures (<100 kPa). Graphene was exposed to nitrogen plasma, which dopes nitrogen atoms into carbon hexagonal lattice, mainly in pyridinic and pyrrolic forms. It is found that nitrogen doping significantly improves the CO{sub 2} adsorption capacity at all temperatures, due to the enrichment of local Lewis basic sites. In general, isotherm and thermodynamic parameters suggest that doped nitrogen sites have nearly same adsorption energy of surface defects and residual functional groups. The isosteric heat of adsorption remains in physisorption range, which falls with surface coverage, suggesting the distribution of magnitude of adsorption energy. The absolute values of isosteric heat and entropy of adsorption are slightly increased upon nitrogen doping.

  12. Determination of gas phase adsorption isotherms--a simple constant volume method.

    PubMed

    Kim, Daekeun; Cai, Zhangli; Sorial, George A

    2006-08-01

    Single and ternary solute gas phase adsorption isotherms were conducted in this study to evaluate the effectiveness of a simple constant volume method, which was utilized by using Tedlar gas sampling bags as a constant volume batch reactor. For this purpose, gas phase adsorption of toluene, methyl ethyl ketone (MEK), and methyl isobutyl ketone (MIBK) on two types of activated carbons, BPL-bituminous base and OVC--coconut base, were investigated. For the single solute adsorption, the experimental adsorption data were found to be well correlated with Freundlich and Myers adsorption equations. The pore size distribution of adsorbents was found to affect their adsorption capacities; its effect was dependant on the solute concentration. The ternary adsorption experimental isotherms were accurately predicted by using the well-known model, i.e., ideal adsorbed solution theory (IAST).

  13. Influence of heat treatment of rayon-based activated carbon fibers on the adsorption of formaldehyde.

    PubMed

    Rong, Haiqin; Ryu, Zhenyu; Zheng, Jingtang; Zhang, Yuanli

    2003-05-15

    The influence of heat treatment of rayon-based activated carbon fibers on the adsorption behavior of formaldehyde was studied. Heat treatment in an inert atmosphere of nitrogen for rayon-based activated carbon fibers (ACFs) resulted in a significant increase in the adsorption capacities and prolongation of breakthrough time on removing of formaldehyde. The effect of different heat-treatment conditions on the adsorption characteristics was investigated. The porous structure parameters of the samples under study were investigated using nitrogen adsorption at the low temperature 77.4 K. The pore size distributions of the samples under study were calculated by density functional theory. With the aid of these analyses, the relationship between structure and adsorption properties of rayon-based ACFs for removing formaldehyde was revealed. Improvement of their performance in terms of adsorption selectivity and adsorption rate for formaldehyde were achieved by heat post-treatment in an inert atmosphere of nitrogen.

  14. Continuous water treatment by adsorption and electrochemical regeneration.

    PubMed

    Mohammed, F M; Roberts, E P L; Hill, A; Campen, A K; Brown, N W

    2011-05-01

    This study describes a process for water treatment by continuous adsorption and electrochemical regeneration using an air-lift reactor. The process is based on the adsorption of dissolved organic pollutants onto an adsorbent material (a graphite intercalation compound, Nyex(®)1000) and subsequent electrochemical regeneration of the adsorbent leading to oxidation of the adsorbed pollutant. Batch experiments were carried out to determine the adsorption kinetics and equilibrium isotherm for adsorption of a sample contaminant, the organic dye Acid Violet 17. The adsorbent circulation rate, the residence time distribution (RTD) of the reactor, and treatment by continuous adsorption and electrochemical regeneration were studied to investigate the process performance. The RTD behaviour could be approximated as a continuously stirred tank. It was found that greater than 98% removal could be achieved for continuous treatment by adsorption and electrochemical regeneration for feed concentrations of up to 300 mg L(-1). A steady state model has been developed for the process performance, assuming full regeneration of the adsorbent in the electrochemical cell. Experimental data and modelled predictions (using parameters for the adsorbent circulation rate, adsorption kinetics and isotherm obtained experimentally) of the dye removal achieved were found to be in good agreement.

  15. Cytoplasmic hydrogen ion diffusion coefficient.

    PubMed Central

    al-Baldawi, N F; Abercrombie, R F

    1992-01-01

    The apparent cytoplasmic proton diffusion coefficient was measured using pH electrodes and samples of cytoplasm extracted from the giant neuron of a marine invertebrate. By suddenly changing the pH at one surface of the sample and recording the relaxation of pH within the sample, an apparent diffusion coefficient of 1.4 +/- 0.5 x 10(-6) cm2/s (N = 7) was measured in the acidic or neutral range of pH (6.0-7.2). This value is approximately 5x lower than the diffusion coefficient of the mobile pH buffers (approximately 8 x 10(-6) cm2/s) and approximately 68x lower than the diffusion coefficient of the hydronium ion (93 x 10(-6) cm2/s). A mobile pH buffer (approximately 15% of the buffering power) and an immobile buffer (approximately 85% of the buffering power) could quantitatively account for the results at acidic or neutral pH. At alkaline pH (8.2-8.6), the apparent proton diffusion coefficient increased to 4.1 +/- 0.8 x 10(-6) cm2/s (N = 7). This larger diffusion coefficient at alkaline pH could be explained quantitatively by the enhanced buffering power of the mobile amino acids. Under the conditions of these experiments, it is unlikely that hydroxide movement influences the apparent hydrogen ion diffusion coefficient. PMID:1617134

  16. Aqueous mercury adsorption by activated carbons.

    PubMed

    Hadi, Pejman; To, Ming-Ho; Hui, Chi-Wai; Lin, Carol Sze Ki; McKay, Gordon

    2015-04-15

    Due to serious public health threats resulting from mercury pollution and its rapid distribution in our food chain through the contamination of water bodies, stringent regulations have been enacted on mercury-laden wastewater discharge. Activated carbons have been widely used in the removal of mercuric ions from aqueous effluents. The surface and textural characteristics of activated carbons are the two decisive factors in their efficiency in mercury removal from wastewater. Herein, the structural properties and binding affinity of mercuric ions from effluents have been presented. Also, specific attention has been directed to the effect of sulfur-containing functional moieties on enhancing the mercury adsorption. It has been demonstrated that surface area, pore size, pore size distribution and surface functional groups should collectively be taken into consideration in designing the optimal mercury removal process. Moreover, the mercury adsorption mechanism has been addressed using equilibrium adsorption isotherm, thermodynamic and kinetic studies. Further recommendations have been proposed with the aim of increasing the mercury removal efficiency using carbon activation processes with lower energy input, while achieving similar or even higher efficiencies.

  17. Multisite adsorption of cadmium on goethite

    SciTech Connect

    Venema, P.; Hiemstra, T.; Riemsdijk, W.H. van

    1996-11-10

    Recently a new general ion adsorption model has been developed for ion binding to mineral surfaces (Hiemstra and van Riemsdijk, 1996). The model uses the Pauling concept of charge distribution (CD) and is an extension of the multi-site complexation (MUSIC) approach. In the CD-MUSIC model the charge of an adsorbing ion that forms an inner sphere complex is distributed over its ligands, which are present in two different electrostatic planes. In this paper the authors have applied the CD-MUSIC model to the adsorption of metal cations, using an extended data set for cadmium adsorbing on goethite. The adsorption of cadmium and the cadmium-proton exchange ratio were measured as function of metal ion concentration, pH, and ionic strength. The data could be described well, taking into account the surface heterogeneity resulting from the presence of two different crystal planes (the dominant 110 face and the minor 021 face). The surface species used in the model are consistent with recent EXAFS data. In accordance with the EXAFS results, high-affinity complexes at the 021 face were used in the model.

  18. Stratospheric eddy diffusion coefficients from tracer data

    NASA Technical Reports Server (NTRS)

    Massie, S. T.; Hunten, D. M.

    1981-01-01

    Global distributions of nitrous oxide, methane, ozone, and carbon 14 are used to estimate four sets of stratospheric eddy diffusion coefficients. A photochemical equilibrium model calculates O(3P), O(1D), H, HO2, OH, H2O2, NO, and NO2 densities, as a function of altitude, latitude, and time. The calculated O(1D), OH, and observed Cl densities are used to obtain the eddy profiles associated with the methane and nitrous oxide distributions, for altitudes between 10 and 40 km. Application of a constant flux condition to the seasonally averaged ozone data yields eddy values below 20 km. Time-dependent carbon 14 calculations produce eddy coefficients between 13 and 27 km. A composite profile is obtained by comparing the four sets of coefficients. Further, carbon 14 computations are used to test these profiles as well as those recommended in reports issued by the National Academy of Sciences in 1976 and 1979. The composite eddy profile produces the best agreement.

  19. Friction coefficients for mechanically damaged bovine articular cartilage.

    PubMed

    Shi, Liu; Brunski, Daniel B; Sikavitsas, Vassilios I; Johnson, Matthew B; Striolo, Alberto

    2012-07-01

    We used a pin-on-disc tribometer to measure the friction coefficient of both pristine and mechanically damaged cartilage samples in the presence of different lubricant solutions. The experimental set up maximizes the lubrication mechanism due to interstitial fluid pressurization. In phosphate buffer solution (PBS), the measured friction coefficient increases with the level of damage. The main result is that when poly(ethylene oxide) (PEO) or hyaluronic acid (HA) are dissolved in PBS, or when synovial fluid (SF) is used as lubricant, the friction coefficients measured for damaged cartilage samples are only slightly larger than those obtained for pristine cartilage samples, indicating that the surface damage is in part alleviated by the presence of the various lubricants. Among the lubricants considered, 100 mg/mL of 100,000 Da MW PEO in PBS appears to be as effective as SF. We attempted to discriminate the lubrication mechanism enhanced by the various compounds. The lubricants viscosity was measured at shear rates comparable to those employed in the friction experiments, and a quartz crystal microbalance with dissipation monitoring was used to study the adsorption of PEO, HA, and SF components on collagen type II adlayers pre-formed on hydroxyapatite. Under the shear rates considered the viscosity of SF is slightly larger than that of PBS, but lower than that of lubricant formulations containing HA or PEO. Neither PEO nor HA showed strong adsorption on collagen adlayers, while evidence of adsorption was found for SF. Combined, these results suggest that synovial fluid is likely to enhance boundary lubrication. It is possible that all three formulations enhance lubrication via the interstitial fluid pressurization mechanism, maximized by the experimental set up adopted in our friction tests.

  20. PREDICTING SOIL SORPTION COEFFICIENTS OF ORGANIC CHEMICALS USING A NEURAL NETWORK MODEL

    EPA Science Inventory

    The soil/sediment adsorption partition coefficient normalized to organic carbon (Koc) is extensively used to assess the fate of organic chemicals in hazardous waste sites. Several attempts have been made to estimate the value of Koc from chemical structure ...

  1. [Degradation and adsorption behavior of napropamide in soils].

    PubMed

    Guo, Hua; Zhu, Hong-mei; Yang, Hong

    2008-06-01

    Chromatography (HPLC and GC-MS) and spectroscopy (UV and FT-IR) methods were conducted to study the degradation and adsorption behavior of napropamide in soils. Influence factors of degradation, degradation products and adsorption mechanism were analyzed. The results showed that degradation rate of napropamide increased with enhancing temperature (15-35 degrees C) and organic matter content in soil was the most important factor which influenced the degradation half-life of napropamide in soil, and their relative coefficient (r) reached 0.9794. The degradation half-life of napropamide in sterilized soil was almost 3-fold of that in non-sterilized soil, and soil microorganisms were contributed to the degradation of napropamide. The probable degradation products were N-methyl-2-(1-naphthoxy)-propionamide and N-ethyl-2-(1-naphthoxy)-propionamide. The possible degradation pathways were dealkylation. Adsorption isoterms of napropamide on three soils such as Yellow-brown soil, Latersol and Black Soil could be described by Freundlich equation with the corresponding adsorption coefficient (Kf) of 1.29, 3.43 and 13.36, and the adsorption free energy (delta G) of napropamide on the three soils was less than 40 kJ x mol(-1) which largely resulted from the physical adsorption involving in hydrogen-bonding, hydrophobic bonding, coordination and van der waal force. Comparison to the FT-IR spectra of the three soils, the results certificated that the sorption capacity of three soils was Black Soil > Latersol > Yellow-brown Soil. PMID:18763531

  2. Adsorption of proteins at the aqueous solution/alkane interface: Co-adsorption of protein and alkane.

    PubMed

    Miller, R; Aksenenko, E V; Zinkovych, I I; Fainerman, V B

    2015-08-01

    The equations of state, adsorption isotherms and functions of the distribution of protein molecules in liquid interfacial layers with respect to molar area and the equations for their viscoelastic behavior are presented. This theory was used to determine the adsorption characteristics of β-casein and β-lactoglobulin at water/oil interfaces. The experimental results are shown to be describable quite adequately by the proposed theory with consistent model parameters. The data analysis demonstrated that the β-casein molecule adsorbed at equilibrium conditions is more unfolded as compared with dynamic conditions, and this fact causes the significant increase of the adsorption equilibrium constant. The theory assumes the adsorption of protein molecules from the aqueous solution and a competitive adsorption of alkane molecules from the alkane phase. The comparison of the experimental equilibrium interfacial tension isotherms for β-lactoglobulin at the solution/hexane interface with data calculated using the proposed theoretical model demonstrates that the assumption of a competitive adsorption is essential, and the influence of the hexane molecules on the shape of the adsorption isotherm does in fact exist.

  3. Experimental determination of ampicillin adsorption to nanometer-size Al2O3 in water.

    PubMed

    Peterson, Jonathan W; Burkhart, Rachel S; Shaw, Drew C; Schuiling, Amanda B; Haserodt, Megan J; Seymour, Michael D

    2010-09-01

    Transport of antibiotics in soil-water systems is controlled in part by adsorption to nanometer-size (10(-9)m) particles. Batch adsorption experiments were performed with ampicillin, a common amphoteric antibiotic, and 50 nm-Al(2)O(3) (alpha-alumina) at different pH conditions. Sorption to Al(2)O(3) can be described by linear isotherms for 2.9 microM-2.9 mM ampicillin concentrations. Distribution coefficients (K(d)) are 11.1 (+/-0.32)L kg(-1) at pH 2, 0.55 (+/-.04) L kg(-1) at pH 4, 21.9 (+/-0.9) L kg(-1) at pH 6, and 39.5 (+/-2.2) L kg(-1) at pH 8. At pH 2, approximately 47% of the initially adsorbed drug was removable by rinsing, at pH 4-56% was removed. Only 7% of the drug could be removed by rinsing at pH 6, and 3% at pH 8. Weak electrostatic forces dominate at pH<4, and stronger attachment mechanisms at higher pH. Low yields in rinsing (desorption) experiments at pH6 indicate strong attachment mechanisms, either electrostatic or possibly surface complexation. PMID:20638098

  4. A diffusion-adsorption model of uranium uptake by archaeological bone

    NASA Astrophysics Data System (ADS)

    Millard, Andrew R.; Hedges, Robert E. M.

    1996-06-01

    An argument for the possibility of uranium uptake by buried bone taking place through the adsorption of uranyl species on bone mineral is advanced. In the light of this a diffusion-adsorption model for uranium uptake by buried bone is developed, the necessary constants are evaluated from the literature and from laboratory measurements of the partition coefficient between solution and bone mineral. The geochemical and hydrological parameters which control uptake are discussed. The predictions of the model are shown to be in general accordance with the timescale, magnitude, and distribution of uranium uptake in archaeological bone. Using the model, specific predictions of the variation of apparent uranium-series ages in bone can be made, and bone is shown clearly not to conform to the closed system assumption. When the model is extended to tooth enamel it is found to be incompatible with the early uptake model used for ESR dating, but to fall between the early uptake and linear uptake models. Similarly, it suggests that uranium-series dates on enamel assuming a closed system are liable to underestimate the true age by at least one-third.

  5. Chemodynamics of methyl parathion and ethyl parathion: adsorption models for sustainable agriculture.

    PubMed

    Tabassum, Noshabah; Rafique, Uzaira; Balkhair, Khaled S; Ashraf, Muhammad Aqeel

    2014-01-01

    The toxicity of organophosphate insecticides for nontarget organism has been the subject of extensive research for sustainable agriculture. Pakistan has banned the use of methyl/ethyl parathions, but they are still illegally used. The present study is an attempt to estimate the residual concentration and to suggest remedial solution of adsorption by different types of soils collected and characterized for physicochemical parameters. Sorption of pesticides in soil or other porous media is an important process regulating pesticide transport and degradation. The percentage removal of methyl parathion and ethyl parathion was determined through UV-Visible spectrophotometer at 276 nm and 277 nm, respectively. The results indicate that agricultural soil as compared to barren soil is more efficient adsorbent for both insecticides, at optimum batch condition of pH 7. The equilibrium between adsorbate and adsorbent was attained in 12 hours. Methyl parathion is removed more efficiently (by seven orders of magnitude) than ethyl parathion. It may be attributed to more available binding sites and less steric hindrance of methyl parathion. Adsorption kinetics indicates that a good correlation exists between distribution coefficient (Kd) and soil organic carbon. A general increase in Kd is noted with increase in induced concentration due to the formation of bound or aged residue.

  6. Adsorption of Carbon Tetrachloride to Sediments from the UP-1 Operable Unit

    SciTech Connect

    Wellman, Dawn M.; Riley, Robert G.; Parker, Kent E.; Mitroshkov, Alexandre V.

    2006-09-01

    In 2004, Fluor Hanford, Inc. (FHI) drilled several groundwater wells within the 200-UP-1 operable unit to monitor plumes that have been the focus of past remediation activities. Thirteen cores taken from three wells (C4298, C4299, and C4300) were sent to Pacific Northwest National Laboratory for characterization and quantification of contaminant retardation. These cores were 4-inches in diameter by 6-inches in length and were taken from depths near the unconfined aquifer surface (water table) to locations approximately 150 to 180 ft below the water table. Prior to this work, no 200-UP-1 site-specific adsorption data (i.e., values of distribution coefficient [Kd ]) were available for the sediments or key contaminants present in the 200-UP-1 operable unit groundwater plume. Site-specific sorption data for carbon tetrachloride (CCl4) was obtained with the <2 mm size fractions of uncontaminated 200-UP-1 sediments taken from two of these boreholes (C4299 and C4300) and distribution coefficients determined. Each fraction exhibited bimodal CCl4 adsorption isotherms over the concentration range (15 – 2500 μg L-1) for total CCl4 in solution. Sorption of CCl4 was linear over the concentration ranges of 15 to 400 μg L-1 and 400 to 2500 μg L-1. The Kd values measured for the three 200-UP-1 sediments exhibited bimodal sorption with initial Kd values ranging from 0.0002 to 0.0005, and phase 2 values approximately 0.003 for all sediments. The measure Kd values are lower than the range calculated for CCl4 in a Hanford soil (0.016 to 0.83 L/Kg) containing an average organic carbon content of 0.2% (Truex et al., 2001). The best estimate value of Truex et al. (2001) is 0.06 L/Kg based on a 0.1% sediment organic carbon content. However, this estimate is based on an organic carbon content up to an order of magnitude greater than the organic carbon content of the sediments tested herein. Prolonged contact may increase

  7. Fuel Temperature Coefficient of Reactivity

    SciTech Connect

    Loewe, W.E.

    2001-07-31

    A method for measuring the fuel temperature coefficient of reactivity in a heterogeneous nuclear reactor is presented. The method, which is used during normal operation, requires that calibrated control rods be oscillated in a special way at a high reactor power level. The value of the fuel temperature coefficient of reactivity is found from the measured flux responses to these oscillations. Application of the method in a Savannah River reactor charged with natural uranium is discussed.

  8. Wrong Signs in Regression Coefficients

    NASA Technical Reports Server (NTRS)

    McGee, Holly

    1999-01-01

    When using parametric cost estimation, it is important to note the possibility of the regression coefficients having the wrong sign. A wrong sign is defined as a sign on the regression coefficient opposite to the researcher's intuition and experience. Some possible causes for the wrong sign discussed in this paper are a small range of x's, leverage points, missing variables, multicollinearity, and computational error. Additionally, techniques for determining the cause of the wrong sign are given.

  9. Diffusion Coefficients in White Dwarfs

    NASA Astrophysics Data System (ADS)

    Saumon, D.; Starrett, C. E.; Daligault, J.

    2015-06-01

    Models of diffusion in white dwarfs universally rely on the coefficients calculated by Paquette et al. (1986). We present new calculations of diffusion coefficients based on an advanced microscopic theory of dense plasmas and a numerical simulation approach that intrinsically accounts for multiple collisions. Our method is validated against a state-of-the-art method and we present results for the diffusion of carbon ions in a helium plasma.

  10. Adsorption studies of azotetrazolate and 3,6-dihydrazinotetrazine on peat.

    PubMed

    Borkowski, Andrzej; Rydelek, Paweł; Szala, Mateusz

    2013-01-01

    The objective of our studies was the evaluation of the adsorption process of two high-nitrogen compounds-dihydrazinotetrazine (DHTz) and azotetrazolate ion (AZ)-on a chosen peat. The experiments were performed using a static method at three different temperatures (283, 298, and 333 K). The adsorption process of DHTz and AZ on peat was characterized by isotherms according to the Freundlich and Langmuir models. The obtained correlations between adsorption and equilibrium concentration were in good accordance with the Freundlich and Langmuir models, as confirmed by high values of the correlation coefficients (0.97-0.99). Adsorption of AZ on peat was less efficient than that of DHTz, and this inference was experimentally proven. The maximum surface coverages of peat particles with adsorbate according to the Langmuir model were calculated as 0.02 and 0.17 mol kg(-1) (at 298 K) for AZ and DHTz, respectively. The determined adsorption equilibrium constants confirmed greater adsorption of DHTz on the investigated peat. It can be concluded that adsorption of AZ occurred to a much lesser extent compared to that of DHTz, pointing to a potentially greater threat of migration of soluble azotetrazolates in soil. Standard enthalpies of adsorption estimated for AZ and DHTz were -11.1 and -23.7 kJ mol(-1), respectively. Based on these adsorption enthalpy values, it can be stated that both investigated compounds are adsorbed on peat by a physisorption process.

  11. Modeling the adsorption of Cr(III) from aqueous solution onto Agave lechuguilla biomass: study of the advective and dispersive transport.

    PubMed

    Romero-González, J; Walton, J C; Peralta-Videa, J R; Rodríguez, E; Romero, J; Gardea-Torresdey, J L

    2009-01-15

    The biosorption of Cr(III) onto packed columns of Agave lechuguilla was analyzed using an advective-dispersive (AD) model and its analytical solution. Characteristic parameters such as axial dispersion coefficients, retardation factors, and distribution coefficients were predicted as functions of inlet ion metal concentration, time, flow rate, bed density, cross-sectional column area, and bed length. The root-mean-square-error (RMSE) values 0.122, 0.232, and 0.285 corresponding to the flow rates of 1, 2, and 3 (10(-3))dm3min(-1), respectively, indicated that the AD model provides an excellent approximation of the simulation of lumped breakthrough curves for the adsorption of Cr(III) by lechuguilla biomass. Therefore, the model can be used for design purposes to predict the effect of varying operational conditions. PMID:18462882

  12. Converting Sabine absorption coefficients to random incidence absorption coefficients.

    PubMed

    Jeong, Cheol-Ho

    2013-06-01

    Absorption coefficients measured by the chamber method are referred to as Sabine absorption coefficients, which sometimes exceed unity due to the finite size of a sample and non-uniform intensity in the reverberation chambers under test. In this study, conversion methods from Sabine absorption coefficients to random incidence absorption coefficients are proposed. The overestimations of the Sabine absorption coefficient are investigated theoretically based on Miki's model for porous absorbers backed by a rigid wall or an air cavity, resulting in conversion factors. Additionally, three optimizations are suggested: An optimization method for the surface impedances for locally reacting absorbers, the flow resistivity for extendedly reacting absorbers, and the flow resistance for fabrics. With four porous type absorbers, the conversion methods are validated. For absorbers backed by a rigid wall, the surface impedance optimization produces the best results, while the flow resistivity optimization also yields reasonable results. The flow resistivity and flow resistance optimization for extendedly reacting absorbers are also found to be successful. However, the theoretical conversion factors based on Miki's model do not guarantee reliable estimations, particularly at frequencies below 250 Hz and beyond 2500 Hz.

  13. Cd adsorption onto bacterial surfaces: A universal adsorption edge?

    NASA Astrophysics Data System (ADS)

    Yee, Nathan; Fein, Jeremy

    2001-07-01

    In this study, we measure the thermodynamic stability constants for proton and Cd binding onto the Gram-negative bacteria Escherichia coli and Pseudomonas aeruginosa, and the Gram-positive bacteria Bacillus megaturium, Streptococcus faecalis, Staphylococcus aureus, Sporosarcina ureae, and Bacillus cereus. Potentiometric titrations and Cd-bacteria adsorption experiments yield average values for the carboxyl site pK a, site concentration, and log stability constant for the bacterial surface Cd-carboxyl complex of 5.0, 2.0 × 10 -3 mol/g and 4.0 respectively. Our results indicate that a wide range of bacterial species exhibit nearly identical Cd adsorption behavior as a function of pH. We propose that metal-bacteria adsorption is not dependent on the bacterial species involved, and we develop a generalized adsorption model which may greatly simplify the task of quantifying the effects of bacterial adsorption on dissolved mass transport in realistic geologic systems.

  14. Transparent composite model for DCT coefficients: design and analysis.

    PubMed

    Yang, En-Hui; Yu, Xiang; Meng, Jin; Sun, Chang

    2014-03-01

    The distributions of discrete cosine transform (DCT) coefficients of images are revisited on a per image base. To better handle, the heavy tail phenomenon commonly seen in the DCT coefficients, a new model dubbed a transparent composite model (TCM) is proposed and justified for both modeling accuracy and an additional data reduction capability. Given a sequence of the DCT coefficients, a TCM first separates the tail from the main body of the sequence. Then, a uniform distribution is used to model the DCT coefficients in the heavy tail, whereas a different parametric distribution is used to model data in the main body. The separate boundary and other parameters of the TCM can be estimated via maximum likelihood estimation. Efficient online algorithms are proposed for parameter estimation and their convergence is also proved. Experimental results based on Kullback-Leibler divergence and χ(2) test show that for real-valued continuous ac coefficients, the TCM based on truncated Laplacian offers the best tradeoff between modeling accuracy and complexity. For discrete or integer DCT coefficients, the discrete TCM based on truncated geometric distributions (GMTCM) models the ac coefficients more accurately than pure Laplacian models and generalized Gaussian models in majority cases while having simplicity and practicality similar to those of pure Laplacian models. In addition, it is demonstrated that the GMTCM also exhibits a good capability of data reduction or feature extraction-the DCT coefficients in the heavy tail identified by the GMTCM are truly outliers, and these outliers represent an outlier image revealing some unique global features of the image. Overall, the modeling performance and the data reduction feature of the GMTCM make it a desirable choice for modeling discrete or integer DCT coefficients in the real-world image or video applications, as summarized in a few of our further studies on quantization design, entropy coding design, and image understanding

  15. [Adsorption of phenol chemicals by surfactant-modified zeolites].

    PubMed

    Xie, Jie; Wang, Zhe; Wu, De-Yi; Li, Chun-Jie

    2012-12-01

    Two kinds of zeolites were prepared from fly ash and modified by surfactant subsequently. Surfactant-modified zeolites were studied for adsorption of phenol chemicals (phenol, p-chlorphenol, bisphenol A). It showed that the adsorption affinity of zeolite to phenol chemicals was significantly improved after surfactant modification. The adsorption isotherms of phenol chemicals were well fitted by the Langmuir isotherm. For the two surfactant-surfactant modified zeolites, the maximum adsorption amounts of phenol, p-chlorphenol, and bisphenol A calculated from the Langmuir equation were 37.7, 52.36, 90.9 mg x g(-1) and 10.7, 22.83, 56.8 mg x g(-1), respectively. When pH values of solutions were higher than the pK(a) values of phenol chemicals, the removal efficiencies were getting higher with the increase of pH values. The octanol/water partition coefficient (K(ow)) was also found to be an important factor affecting adsorption of phenol chemicals by the modified zeolites. Higher K(ow) value, which means the greater hydrophobicity of the chemicals, resulted in a higher removal.

  16. Adsorption dynamics of trichlorofluoromethane in activated carbon fiber beds.

    PubMed

    Zhang, Xiaoping; Zhao, Xin; Hu, Jiaqi; Wei, Chaohai; Bi, Hsiaotao T

    2011-02-28

    Adsorption on carbon fixed-beds is considered as an inexpensive and highly effective way for controlling chlorofluorocarbons (CFCs) emissions. In the present work, a dynamic model under constant-pattern wave conditions has been developed to predict the breakthrough behavior of trichlorofluoromethane (CFC-11) adsorption in a fixed bed packed with activated carbon fibers (ACFs). The adsorption of CFC-11 vapor onto viscose-based ACFs was performed in a fixed bed at different test conditions. The results showed that, in a deep bed (>120 mm), the analytical model based on the external mass transfer with the Langmuir isotherm could describe the adsorption dynamics well. The model parameters, the characteristic breakthrough time and the film mass-transfer coefficients are related to such operating parameters as the superficial gas velocity, feed concentration and bed height. It was found from the breakthrough dynamics that the mass transfer from the fluid phase to the fiber surface dominated the CFC-11 adsorption onto ACFs in fixed beds.

  17. [Adsorption of fluoride ions on a Ca-deficient hydroxyapatite].

    PubMed

    Li, Ling; Zhu, Zhi-Liang; Qiu, Yan-Ling; Zhang, Hua; Zhao, Jian-Fu

    2010-06-01

    A Ca-deficient hydroxyapatite (d-HAp) from the by-product of phosphate wastewater treatment has been used to remove fluoride ions. The effects of pH, coexistent calcium and magnesium ions, and chloride ions on the adsorption efficiency were investigated for the system. The results showed that d-HAp adsorbed F- efficiently within a wide pH range (4-7), and the defluoridation capacity of d-HAp remained 85%. There was no significant effect on removal of fluoride ions with addition of up to 200 times as high a concentration of Ca2+, Mg2+ and Cl-, so it suggested that d-HAp was applicable to high fluoride area. The adsorption kinetics can be described by Pseudo-second-order reaction model and the correlation coefficient R2 was 0.999 0. It was also found that the adsorption of F- on d-HAp followed the Langmuir model. The maximal static adsorption capacity was calculated as 26.11 mg x g(-1). It also suggested that ion exchange was the main mechanism during this adsorptive process. PMID:20698272

  18. Adsorption dynamics of trichlorofluoromethane in activated carbon fiber beds.

    PubMed

    Zhang, Xiaoping; Zhao, Xin; Hu, Jiaqi; Wei, Chaohai; Bi, Hsiaotao T

    2011-02-28

    Adsorption on carbon fixed-beds is considered as an inexpensive and highly effective way for controlling chlorofluorocarbons (CFCs) emissions. In the present work, a dynamic model under constant-pattern wave conditions has been developed to predict the breakthrough behavior of trichlorofluoromethane (CFC-11) adsorption in a fixed bed packed with activated carbon fibers (ACFs). The adsorption of CFC-11 vapor onto viscose-based ACFs was performed in a fixed bed at different test conditions. The results showed that, in a deep bed (>120 mm), the analytical model based on the external mass transfer with the Langmuir isotherm could describe the adsorption dynamics well. The model parameters, the characteristic breakthrough time and the film mass-transfer coefficients are related to such operating parameters as the superficial gas velocity, feed concentration and bed height. It was found from the breakthrough dynamics that the mass transfer from the fluid phase to the fiber surface dominated the CFC-11 adsorption onto ACFs in fixed beds. PMID:21216098

  19. Rethinking Critical Adsorption

    NASA Astrophysics Data System (ADS)

    Franck, Carl; Peach, Sarah; Polak, Robert D.

    1996-03-01

    Recent reflectivity experiments on near-critical mixtures of carbon disulfide and nitromethane contained in glass cells footnote Niraj S. Desai, Sarah Peach, and Carl Franck, Phys. Rev. E 52, 4129 (1995) have shown that preferential adsorption of one liquid component onto the wall can be controlled by chemical modification of the glass. The glass was treated with varying amounts of hexamethyldisilazane to decrease surface polarity and therefore enhance the adsorption of carbon disulfide in a surprisingly continuous way. The effect of the glass wall on the local liquid composition can be described by two different scaling hypotheses: using a short range field on the liquid closest to the wall, or pinning the amplitude of the order parameter at the surface. We have found that only the second approach is consistent with the experimental data, although this is difficult to reconcile with observed wetting critical phenomena. We also have reexamined the issue of substrate inhomogeneity and conclude that the substrates were indeed homogeneous on relevant length scales. Supported by the NSF under DMR-9320910 and the central facilities of the Materials Science Center at Cornell University.

  20. Applicability of the theory of volume filling of micropores to adsorption of caprolactam from aqueous solutions with active carbons

    SciTech Connect

    Khodorov, E.I.; Kazakov, V.A.; Semerikova, V.V.; Surinova, S.I.

    1985-06-10

    The absence of a scientifically based method of selecting adsorbents in the extraction of organic substances from waste water and solution which would allow for their multicycle use in adsorption-desorption stages often prevents the introduction of adsorption technology into industrial practice. This paper demonstrates the possibility of calculating the adsorption equilibrium of highly soluble organic compounds with the theory of volume filling of micropores equations in consideration of the activities of the extracted component in the solution and the change in the partial affinity coefficient with the degree of filling of the adsorption volume on the example of extraction of caprolactam from aqueous solutions.

  1. Statistical process control for AR(1) or non-Gaussian processes using wavelets coefficients

    NASA Astrophysics Data System (ADS)

    Cohen, A.; Tiplica, T.; Kobi, A.

    2015-11-01

    Autocorrelation and non-normality of process characteristic variables are two main difficulties that industrial engineers must face when they should implement control charting techniques. This paper presents new issues regarding the probability distribution of wavelets coefficients. Firstly, we highlight that wavelets coefficients have capacities to strongly decrease autocorrelation degree of original data and are normally-like distributed, especially in the case of Haar wavelet. We used AR(1) model with positive autoregressive parameters to simulate autocorrelated data. Illustrative examples are presented to show wavelets coefficients properties. Secondly, the distributional parameters of wavelets coefficients are derived, it shows that wavelets coefficients reflect an interesting statistical properties for SPC purposes.

  2. Equilibrium and kinetic data and process design for adsorption of Congo Red onto bentonite.

    PubMed

    Bulut, Emrah; Ozacar, Mahmut; Sengil, I Ayhan

    2008-06-15

    The adsorption of Congo Red onto bentonite in a batch adsorber has been studied. Four kinetic models, the pseudo first- and second-order equations, the Elovich equation and the intraparticle diffusion equation, were selected to follow the adsorption process. Kinetic parameters; rate constants, equilibrium adsorption capacities and correlation coefficients, for each kinetic equation were calculated and discussed. It was shown that the adsorption of Congo Red onto bentonite could be described by the pseudo second-order equation. The experimental isotherm data were analyzed using the Langmuir, Freundlich and Temkin equations. Adsorption of Congo Red onto bentonite followed the Langmuir isotherm. A single stage batch adsorber was designed for different adsorbent mass/treated effluent volume ratios using the Langmuir isotherm. PMID:18055111

  3. Characteristics of PAHs adsorption on inorganic particles and activated sludge in domestic wastewater treatment.

    PubMed

    Liu, J J; Wang, X C; Fan, B

    2011-05-01

    The occurrence of polycyclic aromatic hydrocarbons (PAHs) in a domestic wastewater treatment plant (WWTP) was investigated in a 1 year period. In order to understand how PAHs were removed at different stages of the treatment process, adsorption experiments were conducted using quartz sand, kaolinite, and natural clay as inorganic adsorbents and activated sludge as organic adsorbent for adsorbing naphthalene, phenanthrene, and pyrene. As a result, the adsorption of PAHs by the inorganic adsorbents well followed the Langmuir isotherm while that by the activated sludge well followed the Freundlich isotherm. By bridging equilibrium partitioning coefficient with the parameters of adsorption isotherm, a set of mathematical models were developed. Under an assumption that in the primary settler PAHs removal was by adsorption onto inorganic particles and in the biological treatment unit it was by adsorption onto activated sludge, the model calculation results fairly reflected the practical condition in the WWTP.

  4. Rotordynamic coefficients for stepped labyrinth gas seals

    NASA Technical Reports Server (NTRS)

    Scharrer, Joseph K.

    1989-01-01

    The basic equations are derived for compressible flow in a stepped labyrinth gas seal. The flow is assumed to be completely turbulent in the circumferential direction where the friction factor is determined by the Blasius relation. Linearized zeroth and first-order perturbation equations are developed for small motion about a centered position by an expansion in the eccentricity ratio. The zeroth-order pressure distribution is found by satisfying the leakage equation while the circumferential velocity distribution is determined by satisfying the momentum equations. The first order equations are solved by a separation of variables solution. Integration of the resultant pressure distribution along and around the seal defines the reaction force developed by the seal and the corresponding dynamic coefficients. The results of this analysis are presented in the form of a parametric study, since there are no known experimental data for the rotordynamic coefficients of stepped labyrinth gas seals. The parametric study investigates the relative rotordynamic stability of convergent, straight and divergent stepped labyrinth gas seals. The results show that, generally, the divergent seal is more stable, rotordynamically, than the straight or convergent seals. The results also show that the teeth-on-stator seals are not always more stable, rotordynamically, then the teeth-on-rotor seals as was shown by experiment by Childs and Scharrer (1986b) for a 15 tooth seal.

  5. A comparative adsorption study: 17β-estradiol onto aerobic granular sludge and activated sludge.

    PubMed

    Zheng, Xiao-ying; He, Yu-jie; Chen, Wei; Wang, Ming-yang; Cao, Su-lan; Ni, Ming; Chen, Yu

    2016-01-01

    Adsorption plays a significant role in removing hydrophobic 17β-estradiol (E2) from wastewater. Batch experiments were conducted to compare the adsorption of E2 onto activated aerobic granular sludge (AGS) and activated sludge (AS), and features evaluated included the adsorption kinetics, thermodynamics, and influence of other environmental factors. By using a non-chemical wet-heat technique, both AGS and AS were treated to inactivated status. Then, after loading E2, the adsorption equilibrium capacity of the AGS was found to be greater than that of the AS at the same initial concentration of E2. Moreover, both the adsorption processes corresponded to a pseudo-second-order kinetic model; the adsorption rate constant of AGS was found to be higher and the half-adsorption time was shorter than that of AS. Next, evaluations of adsorption isotherms and thermodynamics indicated that the adsorption process was mainly a physical process. Lower temperatures facilitated a higher equilibrium adsorption capacity. However, the adsorption binding sites of AGS were distributed more uniformly at higher temperature, in contrast to the distribution found for AS. Finally, acidic conditions and an appropriate ionic strength (0.4 mol/L) were found to be particularly conducive to the adsorption process. Overall, the results showed that AGS has the potential to adsorb E2 with significant efficiency, thereby offering a new and more efficient means of treating E2 and trace oestrogens in wastewater.

  6. Mechanisms of chain adsorption on porous substrates and critical conditions of polymer chromatography.

    PubMed

    Cimino, Richard T; Rasmussen, Christopher J; Brun, Yefim; Neimark, Alexander V

    2016-11-01

    Polymer adsorption is a ubiquitous phenomenon with numerous technological and healthcare applications. The mechanisms of polymer adsorption on surfaces and in pores are complex owing to a competition between various entropic and enthalpic factors. Due to adsorption of monomers to the surface, the chain gains in enthalpy yet loses in entropy because of confining effects. This competition leads to the existence of critical conditions of adsorption when enthalpy gain and entropy loss are in balance. The critical conditions are controlled by the confining geometry and effective adsorption energy, which depends on the solvent composition and temperature. This phenomenon has important implications in polymer chromatography, since the retention at the critical point of adsorption (CPA) is chain length independent. However, the mechanisms of polymer adsorption in pores are poorly understood and there is an ongoing discussion in the theoretical literature about the very existence of CPA for polymer adsorption on porous substrates. In this work, we examine the mechanisms of chain adsorption on a model porous substrate using Monte Carlo (MC) simulations. We distinguish three adsorption mechanisms depending on the chain location: on external surface, completely confined in pores, and also partially confined in pores in so-called "flower" conformations. The free energies of different conformations of adsorbed chains are calculated by the incremental gauge cell MC method that allows one to determine the partition coefficient as a function of the adsorption potential, pore size, and chain length. We confirm the existence of the CPA for chain length independent separation on porous substrates, which is explained by the dominant contributions of the chain adsorption at the external surface, in particular in flower conformations. Moreover, we show that the critical conditions for porous and nonporous substrates are identical and depend only on the surface chemistry. The theoretical

  7. Mechanisms of chain adsorption on porous substrates and critical conditions of polymer chromatography.

    PubMed

    Cimino, Richard T; Rasmussen, Christopher J; Brun, Yefim; Neimark, Alexander V

    2016-11-01

    Polymer adsorption is a ubiquitous phenomenon with numerous technological and healthcare applications. The mechanisms of polymer adsorption on surfaces and in pores are complex owing to a competition between various entropic and enthalpic factors. Due to adsorption of monomers to the surface, the chain gains in enthalpy yet loses in entropy because of confining effects. This competition leads to the existence of critical conditions of adsorption when enthalpy gain and entropy loss are in balance. The critical conditions are controlled by the confining geometry and effective adsorption energy, which depends on the solvent composition and temperature. This phenomenon has important implications in polymer chromatography, since the retention at the critical point of adsorption (CPA) is chain length independent. However, the mechanisms of polymer adsorption in pores are poorly understood and there is an ongoing discussion in the theoretical literature about the very existence of CPA for polymer adsorption on porous substrates. In this work, we examine the mechanisms of chain adsorption on a model porous substrate using Monte Carlo (MC) simulations. We distinguish three adsorption mechanisms depending on the chain location: on external surface, completely confined in pores, and also partially confined in pores in so-called "flower" conformations. The free energies of different conformations of adsorbed chains are calculated by the incremental gauge cell MC method that allows one to determine the partition coefficient as a function of the adsorption potential, pore size, and chain length. We confirm the existence of the CPA for chain length independent separation on porous substrates, which is explained by the dominant contributions of the chain adsorption at the external surface, in particular in flower conformations. Moreover, we show that the critical conditions for porous and nonporous substrates are identical and depend only on the surface chemistry. The theoretical

  8. Global versus local adsorption selectivity

    NASA Astrophysics Data System (ADS)

    Pauzat, Françoise; Marloie, Gael; Markovits, Alexis; Ellinger, Yves

    2015-10-01

    The origin of the enantiomeric excess found in the amino acids present in the organic matter of carbonaceous meteorites is still unclear. Selective adsorption of one of the two enantiomers existing after a racemic formation could be part of the answer. Hereafter we report a comparative study of the adsorption of the R and S enantiomers of α-alanine and lactic acid on the hydroxylated { } chiral surface of α-quartz using numerical simulation techniques. Structurally different adsorption sites were found with opposite R versus S selectivity for the same molecule-surface couple, raising the problem of whether to consider adsorption as a local property or as a global response characteristic of the whole surface. To deal with the second term of this alternative, a statistical approach was designed, based on the occurrence of each adsorption site whose energy was calculated using first principle periodic density functional theory. It was found that R-alanine and S-lactic acid are the enantiomers preferentially adsorbed, even if the adsorption process on the quartz { } surface stays with a disappointingly poor enantio-selectivity. Nevertheless, it highlighted the important point that considering adsorption as a global property changes perspectives in the search for more efficient enantio-selective supports and more generally changes the way to apprehend adsorption processes in astro-chemistry/biology.

  9. Design method for adsorption beds

    NASA Technical Reports Server (NTRS)

    Blakely, R. L.; Jackson, J. K.

    1970-01-01

    Regenerable adsorption beds for long-term life support systems include synthetic geolite to remove carbon dioxide and silica gel to dehumidify the atmospheric gas prior to its passage through the geolite beds. Bed performance is evaluated from adsorption characteristics, heat and mass transfer, and pressure drop.

  10. Liquid-Phase Adsorption Fundamentals.

    ERIC Educational Resources Information Center

    Cooney, David O.

    1987-01-01

    Describes an experiment developed and used in the unit operations laboratory course at the University of Wyoming. Involves the liquid-phase adsorption of an organic compound from aqueous solution on activated carbon, and is relevant to adsorption processes in general. (TW)

  11. Adsorption of organics from tar sand water by activated carbon in packed beds. Final report

    SciTech Connect

    Hines, A.L.; Pedram, E.O.

    1982-12-30

    The adsorption of TS-1S and TS-2C tar sand waters were studied at 278 and 298/sup 0/K on activated carbon in both batch and packed bed experiments. The isotherms were nonlinear over the entire liquid concentration ranges. Breakthrough curves were obtained in packed bed experiments as a function of bed lengths, particle size, and liquid velocity. A mechanistic approach was used to solve the mass transfer equations for the packed adsorber, the mass transfer coefficients and the rates of adsorption were calculated. Also the breakthrough curves were analyzed to establish the relative importance of the various individual mechanisms that contributed to the overall adsorption process.

  12. The effect of mass recovery adsorption cooling cycle to optimize the collector number and time allocation

    NASA Astrophysics Data System (ADS)

    Kabir, K. M. Ariful; Alam, K. C. Amanul; Rouf, Rifat A.; Sarker, M. M. A.

    2016-07-01

    The performance of mass recovery for solar adsorption cooling system has been investigated numerically. Solar adsorption cooling appears to have a prospect in tropical region. Though it has a huge installation cost, its long term payback could be a considerable fact. Mass recovery scheme increases Average Cooling Capacity (ACC) and Coefficient of Performance (COP) values of the adsorption cooling system. In intension to reduce cost and maximize system performance, a two bed solar driven conventional cooling system run by silica gel and water along with mass recovery process has been investigated mathematically.

  13. Carbon Dioxide Adsorption on a 5A Zeolite Designed for CO2 Removal in Spacecraft Cabins

    NASA Technical Reports Server (NTRS)

    Mulloth, Lila M.; Finn, John E.

    1998-01-01

    Carbon dioxide adsorption data were obtained for a 5A zeolite manufactured by AlliedSignal Inc. (Des Plaines, Illinois). The material is planned for use in the Carbon Dioxide Removal Assembly (CDRA) for U.S. elements of the International Space Station. The family of adsorption isotherms covers a temperature range of O to 250 C, and a pressure range of 0.001 to 800 torr. Coefficients of the Toth equation are fit to the data. Isosteric heats of adsorption are derived from the equilibrium loading data.

  14. Modeling canopy reflectance and microwave backscattering coefficient

    NASA Technical Reports Server (NTRS)

    Goel, N. S.

    1985-01-01

    Various approaches to model canopy reflectance (CR) in the visible/infrared region and backscattering coefficient (BSC) in the microwave region are compared and contrasted. It is noted that BSC can be related to CR in the source direction (the 'hot spot' direction). By assuming a frequency dependent leaf reflectance and transmittance it is shown that the observed dependence of BSC on leaf area index, leaf angle distribution, angle of incidence, soil moisture content, and frequency can be simulated by a CR model. Thus both BSC and CR can, in principle, be calculated using a single model which has essentially the same parameters as many CR models do.

  15. Transport coefficients of heavy baryons

    NASA Astrophysics Data System (ADS)

    Tolos, Laura; Torres-Rincon, Juan M.; Das, Santosh K.

    2016-08-01

    We compute the transport coefficients (drag and momentum diffusion) of the low-lying heavy baryons Λc and Λb in a medium of light mesons formed at the later stages of high-energy heavy-ion collisions. We employ the Fokker-Planck approach to obtain the transport coefficients from unitarized baryon-meson interactions based on effective field theories that respect chiral and heavy-quark symmetries. We provide the transport coefficients as a function of temperature and heavy-baryon momentum, and analyze the applicability of certain nonrelativistic estimates. Moreover we compare our outcome for the spatial diffusion coefficient to the one coming from the solution of the Boltzmann-Uehling-Uhlenbeck transport equation, and we find a very good agreement between both calculations. The transport coefficients for Λc and Λb in a thermal bath will be used in a subsequent publication as input in a Langevin evolution code for the generation and propagation of heavy particles in heavy-ion collisions at LHC and RHIC energies.

  16. [Characteristics of Adsorption Leaching and Influencing Factors of Dimethyl Phthalate in Purple Soil].

    PubMed

    Wang, Qiang; Song, Jiao-yan; Zeng, Wei; Wang, Fa

    2016-02-15

    The typical soil-purple soil in Three Gorges Reservoir was the tested soil, the characteristics of adsorption leaching of dimethyl phthalate (DMP) in contaminated water by the soil, and the influencing factors in the process were conducted using soil column leaching experiment. The results showed that the parabolic equation was the best equation describing adsorption kinetics of DMP by soils. The concentration of DMP in the leaching solution had significant effect on the adsorption amounts of DMP. With the increasing concentration of DMP in the leaching solution, the adsorption capacities of DMP by purple soil increased linearly. The ionic strength and pH in leaching solution had significant effects on adsorption of DMP. On the whole, increasing of the ionic strength restrained the adsorption. The adsorption amounts at pH 5.0-7.0 were more than those under other pH condition. The addition of exogenous organic matter (OM) in purple soil increased the adsorption amount of DMP by purple soil. However, the adsorption amount was less than those with other addition amounts of exogenous OM when the addition of exogenous OM was too high (> or = 30 g x kg(-1)). The addition of surfactant sodium dodecylbenzene sulfonic acid (SDBS) in purple soil increased the adsorption amount of DMP by purple soil. The adsorption amount was maximal when the addition amount of SDBS was 50 mg x kg(-1). However, the adsorption amounts decreased with increasing addition amounts of SDBS although the adsorption amounts were still more than that of the control group, and the adsorption amount was almost equal to that of the control group when the addition amount of SDBS was 800 mg x kg(-1). Continuous leaching time affected the vertical distribution of DMP in the soil column. When the leaching time was shorter, the upper soil column adsorbed more DMP, while the DMP concentrations in upper and lower soil columns became similar with the extension of leaching time.

  17. [Characteristics of Adsorption Leaching and Influencing Factors of Dimethyl Phthalate in Purple Soil].

    PubMed

    Wang, Qiang; Song, Jiao-yan; Zeng, Wei; Wang, Fa

    2016-02-15

    The typical soil-purple soil in Three Gorges Reservoir was the tested soil, the characteristics of adsorption leaching of dimethyl phthalate (DMP) in contaminated water by the soil, and the influencing factors in the process were conducted using soil column leaching experiment. The results showed that the parabolic equation was the best equation describing adsorption kinetics of DMP by soils. The concentration of DMP in the leaching solution had significant effect on the adsorption amounts of DMP. With the increasing concentration of DMP in the leaching solution, the adsorption capacities of DMP by purple soil increased linearly. The ionic strength and pH in leaching solution had significant effects on adsorption of DMP. On the whole, increasing of the ionic strength restrained the adsorption. The adsorption amounts at pH 5.0-7.0 were more than those under other pH condition. The addition of exogenous organic matter (OM) in purple soil increased the adsorption amount of DMP by purple soil. However, the adsorption amount was less than those with other addition amounts of exogenous OM when the addition of exogenous OM was too high (> or = 30 g x kg(-1)). The addition of surfactant sodium dodecylbenzene sulfonic acid (SDBS) in purple soil increased the adsorption amount of DMP by purple soil. The adsorption amount was maximal when the addition amount of SDBS was 50 mg x kg(-1). However, the adsorption amounts decreased with increasing addition amounts of SDBS although the adsorption amounts were still more than that of the control group, and the adsorption amount was almost equal to that of the control group when the addition amount of SDBS was 800 mg x kg(-1). Continuous leaching time affected the vertical distribution of DMP in the soil column. When the leaching time was shorter, the upper soil column adsorbed more DMP, while the DMP concentrations in upper and lower soil columns became similar with the extension of leaching time. PMID:27363166

  18. Probing the Adsorption Behavior of 4,5-Diazafluoren-9-one and Its Schiff Base Derivatives on SIlver and Gold Nanosurfaces Using Raman Spectroscopy, Density Functional Theory and Potential Energy Distribution Calculations

    NASA Astrophysics Data System (ADS)

    McCoy, Rhonda Patrice

    4,5-Diazafluoren-9-one (DAFO) is an aromatic ketone synthesized by oxidizing 1,10-phenanthroline with potassium permanganate. In this present study, the Raman spectra of DAFO in the solid and solution states were recorded in the 100-2000 cm-1 spectral region using 1064, 633, 532, and 514 nm excitation sources. A normal mode analysis of DAFO was performed using density functional theory; the BLYP and B3LYP functionals, each with the 6-31G(d) and 6-311(d) basis sets were employed. The fundamental modes on the Raman spectrum of DAFO were assigned with the appropriate symmetry element using the BLYP functional and 6-31G(d) basis set. The vibrational modes were described and quantified by potential energy distribution calculations. The Raman frequencies for the solid and solution spectra were compared; the observed frequency shifts are attributed to hydrogen bonding or dipole-dipole interactions occurring between the solvent and DAFO ligand. To further assess solute-solvent interactions the UV-vis spectra of DAFO was obtained in hydrogen bonding, polar aprotic, and non-polar solvents. The fine structure of the band observed at lambda max becomes more resolved as solvent polarity decreases, therefore confirming solute-solvent interactions in polar solvents. A silver complex of DAFO was synthesized with the intent of understanding how coordination affected the Raman frequencies. The bands assigned to pyridine ring bending, nu(C=N), and nu(C=O) were shifted because of coordination. These shifts have been attributed to the molecule being perturbed because of coordination. Therefore, the Ag-DAFO complex was analyzed by X-Ray diffraction and the molecular geometries of the free and coordinated ligand were compared. The resolved crystalline structure revealed the silver ion coordinated DAFO using the lone pairs of electrons from the nitrogens in the pyridine ring. Analysis of the molecular geometry revealed the C=O bond increases in double bond character and the C5-C14 bond

  19. Removal of Radionuclides from Waste Water at Fukushima Daiichi Nuclear Power Plant: Desalination and Adsorption Methods - 13126

    SciTech Connect

    Kani, Yuko; Kamosida, Mamoru; Watanabe, Daisuke; Asano, Takashi; Tamata, Shin

    2013-07-01

    Waste water containing high levels of radionuclides due to the Fukushima Daiichi Nuclear Power Plant accident, has been treated by the adsorption removal and reverse-osmosis (RO) desalination to allow water re-use for cooling the reactors. Radionuclides in the waste water are collected in the adsorbent medium and the RO concentrate (RO brine) in the water treatment system currently operated at the Fukushima Daiichi site. In this paper, we have studied the behavior of radionuclides in the presently applied RO desalination system and the removal of radionuclides in possible additional adsorption systems for the Fukushima Daiichi waste water treatment. Regarding the RO desalination system, decontamination factors (DFs) of the elements present in the waste water were obtained by lab-scale testing using an RO unit and simulated waste water with non-radioactive elements. The results of the lab-scale testing using representative elements showed that the DF for each element depended on its hydrated ionic radius: the larger the hydrated ionic radius of the element, the higher its DF is. Thus, the DF of each element in the waste water could be estimated based on its hydrated ionic radius. For the adsorption system to remove radionuclides more effectively, we studied adsorption behavior of typical elements, such as radioactive cesium and strontium, by various kinds of adsorbents using batch and column testing. We used batch testing to measure distribution coefficients (K{sub d}s) for cesium and strontium onto adsorbents under different brine concentrations that simulated waste water conditions at the Fukushima Daiichi site. For cesium adsorbents, K{sub d}s with different dependency on the brine concentration were observed based on the mechanism of cesium adsorption. As for strontium, K{sub d}s decreased as the brine concentration increased for any adsorbents which adsorbed strontium by intercalation and by ion exchange. The adsorbent titanium oxide had higher K{sub d}s and it

  20. Critical review: Radionuclide transport, sediment transport, and water quality mathematical modeling; and radionuclide adsorption/desorption mechanisms

    SciTech Connect

    Onishi, Y.; Serne, R.J.; Arnold, E.M.; Cowan, C.E.; Thompson, F.L.

    1981-01-01

    This report describes the results of a detailed literature review of radionuclide transport models applicable to rivers, estuaries, coastal waters, the Great Lakes, and impoundments. Some representatives sediment transport and water quality models were also reviewed to evaluate if they can be readily adapted to radionuclide transport modeling. The review showed that most available transport models were developed for dissolved radionuclide in rivers. These models include the mechanisms of advection, dispersion, and radionuclide decay. Since the models do not include sediment and radionuclide interactions, they are best suited for simulating short-term radionuclide migration where: (1) radionuclides have small distribution coefficients; (2) sediment concentrations in receiving water bodies are very low. Only 5 of the reviewed models include full sediment and radionuclide interactions: CHMSED developed by Fields; FETRA SERATRA, and TODAM developed by Onishi et al, and a model developed by Shull and Gloyna. The 5 models are applicable to cases where: (1) the distribution coefficient is large; (2) sediment concentrations are high; or (3) long-term migration and accumulation are under consideration. The report also discusses radionuclide absorption/desorption distribution ratios and addresses adsorption/desorption mechanisms and their controlling processes for 25 elements under surface water conditions. These elements are: Am, Sb, C, Ce, Cm, Co, Cr, Cs, Eu, I, Fe, Mn, Np, P, Pu, Pm, Ra, Ru, Sr, Tc, Th, {sup 3}H, U, Zn and Zr.

  1. Analysis of internal conversion coefficients

    PubMed

    Coursol; Gorozhankin; Yakushev; Briancon; Vylov

    2000-03-01

    An extensive database has been assembled that contains the three most widely used sets of calculated internal conversion coefficients (ICC): [Hager R.S., Seltzer E.C., 1968. Internal conversion tables. K-, L-, M-shell Conversion coefficients for Z = 30 to Z = 103, Nucl. Data Tables A4, 1-237; Band I.M., Trzhaskovskaya M.B., 1978. Tables of gamma-ray internal conversion coefficients for the K-, L- and M-shells, 10 < or = Z < or = 104, Special Report of Leningrad Nuclear Physics Institute; Rosel F., Fries H.M., Alder K., Pauli H.C., 1978. Internal conversion coefficients for all atomic shells, At. Data Nucl. Data Tables 21, 91-289] and also includes new Dirac Fock calculations [Band I.M. and Trzhaskovskaya M.B., 1993. Internal conversion coefficients for low-energy nuclear transitions, At. Data Nucl. Data Tables 55, 43-61]. This database is linked to a computer program to plot ICCs and their combinations (sums and ratios) as a function of Z and energy, as well as relative deviations of ICC or their combinations for any pair of tabulated data. Examples of these analyses are presented for the K-shell and total ICCs of the gamma-ray standards [Hansen H.H., 1985. Evaluation of K-shell and total internal conversion coefficients for some selected nuclear transitions, Eur. Appl. Res. Rept. Nucl. Sci. Tech. 11.6 (4) 777-816] and for the K-shell and total ICCs of high multipolarity transitions (total, K-, L-, M-shells of E3 and M3 and K-shell of M4). Experimental data sets are also compared with the theoretical values of these specific calculations. PMID:10724406

  2. Adsorption of nanoparticles at the solid-liquid interface.

    PubMed

    Brenner, Thorsten; Paulus, Michael; Schroer, Martin A; Tiemeyer, Sebastian; Sternemann, Christian; Möller, Johannes; Tolan, Metin; Degen, Patrick; Rehage, Heinz

    2012-05-15

    The adsorption of differently charged nanoparticles at liquid-solid interfaces was investigated by in situ X-ray reflectivity measurements. The layer formation of positively charged maghemite (γ-Fe(2)O(3)) nanoparticles at the aqueous solution-SiO(2) interface was observed while negatively charged gold nanoparticles show no adsorption at this interface. Thus, the electrostatic interaction between the particles and the charged surface was determined as the driving force for the adsorption process. The data analysis shows that a logarithmic particle size distribution describes the density profile of the thin adsorbed maghemite layer. The size distribution in the nanoparticle solution determined by small angle X-ray scattering shows an average particle size which is similar to that found for the adsorbed film. The formed magehemite film exhibits a rather high stability.

  3. Adsorption of nanoparticles at the solid-liquid interface.

    PubMed

    Brenner, Thorsten; Paulus, Michael; Schroer, Martin A; Tiemeyer, Sebastian; Sternemann, Christian; Möller, Johannes; Tolan, Metin; Degen, Patrick; Rehage, Heinz

    2012-05-15

    The adsorption of differently charged nanoparticles at liquid-solid interfaces was investigated by in situ X-ray reflectivity measurements. The layer formation of positively charged maghemite (γ-Fe(2)O(3)) nanoparticles at the aqueous solution-SiO(2) interface was observed while negatively charged gold nanoparticles show no adsorption at this interface. Thus, the electrostatic interaction between the particles and the charged surface was determined as the driving force for the adsorption process. The data analysis shows that a logarithmic particle size distribution describes the density profile of the thin adsorbed maghemite layer. The size distribution in the nanoparticle solution determined by small angle X-ray scattering shows an average particle size which is similar to that found for the adsorbed film. The formed magehemite film exhibits a rather high stability. PMID:22386203

  4. High temperature adsorption measurements

    SciTech Connect

    Bertani, R.; Parisi, L.; Perini, R.; Tarquini, B.

    1996-12-31

    Adsorption phenomena are a rich and rather new field of study in geothermal research, in particular at very high temperature. ENEL is interested in the exploitation of geothermal regions with super-heated steam, and it is important to understand the behavior of water-rock interaction. We have analyzed in the 170-200{degrees}C temperature range four samples of Monteverdi cuttings; the next experimental effort will be at 220{degrees}C and over in 1996. The first results of the 1995 runs are collected in this paper. We can highlight four main items: (1) At relative pressures over 0.6 the capillarity forces are very important. (2) There is no significant temperature effect. (3) Adsorbed water can be present, and it is able to multiply by a factor of 15 the estimated reserve of super-heated steam only. (4) Pores smaller than 15 {Angstrom} do not contribute to the adsorbed mass.

  5. High temperature adsorption measurements

    SciTech Connect

    Bertani, R.; Parisi, L.; Perini, R.; Tarquini, B.

    1996-01-24

    Adsorption phenomena are a rich and rather new field of study in geothermal research, in particular at very high temperature. ENEL is interested in the exploitation of geothermal regions with superheated steam, and it is important to understand the behavior of water-rock interaction. We have analyzed in the 170-200 °C temperature range four samples of Monteverdi cuttings; the next experimental effort will be at 220 °C and over in 1996. The first results of the 1995 runs are collected in this paper. We can highlight four main items: 1. At relative pressures over 0.6 the capillarity forces are very important. 2. There is no significant temperature effect. 3. Adsorbed water can be present, and it is able to multiply by a factor of 15 the estimated reserve of super-heated steam only. 4. Pores smaller than 15 Å do not contribute to the adsorbed mass.

  6. Transport coefficients of gluonic fluid

    SciTech Connect

    Das, Santosh K.; Alam, Jan-e

    2011-06-01

    The shear ({eta}) and bulk ({zeta}) viscous coefficients have been evaluated for a gluonic fluid. The elastic, gg{yields}gg and the inelastic, number nonconserving, gg{yields}ggg processes have been considered as the dominant perturbative processes in evaluating the viscous coefficients to entropy density (s) ratios. Recently the processes: gg{yields}ggg has been revisited and a correction to the widely used Gunion-Bertsch (GB) formula has been obtained. The {eta} and {zeta} have been evaluated for gluonic fluid with the formula recently derived. At large {alpha}{sub s} the value of {eta}/s approaches its lower bound, {approx}1/4{pi}.

  7. Comparison of Selenate and Sulfate Adsorption on Goethite.

    PubMed

    Rietra, René P. J. J.; Hiemstra, Tjisse; van Riemsdijk, Willem H.

    2001-08-15

    The adsorption behavior of selenate (SeO(4)) on goethite has been studied under a wide range of conditions. SeO(4) adsorption has been compared with the binding of SO(4). The experimental results are interpreted in view of very recent spectroscopic work on the speciation and coordination of adsorbed selenate and sulfate on goethite. The spectroscopic results suggest that at pH values above 6 outersphere complexes are dominant while in the main adsorption range at lower pH values monodentate innersphere complexes are dominant. The qualitative results from spectroscopy agree very well with the CD-MUSIC modeling of the large set of SeO(4) adsorption data. The charge distributions obtained for the innersphere complexes are in line with the spectroscopically determined coordinations of the adsorbed anions. The formation of outersphere complexes cannot be established from the macroscopic adsorption data without the spectroscopic knowledge. However, description of the adsorption data including and differentiating between both species can be done very satisfactorily with the CD-MUSIC approach. Copyright 2001 Academic Press. PMID:11482945

  8. Calculating rotordynamic coefficients of seals by finite-difference techniques

    NASA Technical Reports Server (NTRS)

    Dietzen, F. J.; Nordmann, R.

    1987-01-01

    For modelling the turbulent flow in a seal the Navier-Stokes equations in connection with a turbulence (kappa-epsilon) model are solved by a finite-difference method. A motion of the shaft round the centered position is assumed. After calculating the corresponding flow field and the pressure distribution, the rotor-dynamic coefficients of the seal can be determined. These coefficients are compared with results obtained by using the bulk flow theory of Childs and with experimental results.

  9. Particle-scale CO2 adsorption kinetics modeling considering three reaction mechanisms

    SciTech Connect

    Suh, Dong-Myung; Sun, Xin

    2013-09-01

    In the presence of water (H2O), dry and wet adsorptions of carbon dioxide (CO2) and physical adsorption of H2O happen concurrently in a sorbent particle. The three reactions depend on each other and have a complicated, but important, effect on CO2 capturing via a solid sorbent. In this study, transport phenomena in the sorbent were modeled, including the tree reactions, and a numerical solving procedure for the model also was explained. The reaction variable distribution in the sorbent and their average values were calculated, and simulation results were compared with experimental data to validate the proposed model. Some differences, caused by thermodynamic parameters, were observed between them. However, the developed model reasonably simulated the adsorption behaviors of a sorbent. The weight gained by each adsorbed species, CO2 and H2O, is difficult to determine experimentally. It is known that more CO2 can be captured in the presence of water. Still, it is not yet known quantitatively how much more CO2 the sorbent can capture, nor is it known how much dry and wet adsorptions separately account for CO2 capture. This study addresses those questions by modeling CO2 adsorption in a particle and simulating the adsorption process using the model. As adsorption temperature changed into several values, the adsorbed amount of each species was calculated. The captured CO2 in the sorbent particle was compared quantitatively between dry and wet conditions. As the adsorption temperature decreased, wet adsorption increased. However, dry adsorption was reduced.

  10. Effective Viscosity Coefficient of Nanosuspensions

    NASA Astrophysics Data System (ADS)

    Rudyak, V. Ya.; Belkin, A. A.; Egorov, V. V.

    2008-12-01

    Systematic calculations of the effective viscosity coefficient of nanosuspensions have been performed using the molecular dynamics method. It is established that the viscosity of a nanosuspension depends not only on the volume concentration of the nanoparticles but also on their mass and diameter. Differences from Einstein's relation are found even for nanosuspensions with a low particle concentration.

  11. Aerodynamic coefficients and transformation tables

    NASA Technical Reports Server (NTRS)

    Ames, Joseph S

    1918-01-01

    The problem of the transformation of numerical values expressed in one system of units into another set or system of units frequently arises in connection with aerodynamic problems. Report contains aerodynamic coefficients and conversion tables needed to facilitate such transformation. (author)

  12. Estimating the Polyserial Correlation Coefficient.

    ERIC Educational Resources Information Center

    Bedrick, Edward J.; Breslin, Frederick C.

    1996-01-01

    Simple noniterative estimators of the polyserial correlation coefficient are developed by exploiting a general relationship between the polyserial correlation and the point polyserial correlation to give extensions of the biserial estimators of K. Pearson (1909), H. E. Brogden (1949), and F. M. Lord (1963) to the multicategory setting. (SLD)

  13. Integer Solutions of Binomial Coefficients

    ERIC Educational Resources Information Center

    Gilbertson, Nicholas J.

    2016-01-01

    A good formula is like a good story, rich in description, powerful in communication, and eye-opening to readers. The formula presented in this article for determining the coefficients of the binomial expansion of (x + y)n is one such "good read." The beauty of this formula is in its simplicity--both describing a quantitative situation…

  14. Identities for generalized hypergeometric coefficients

    SciTech Connect

    Biedenharn, L.C.; Louck, J.D.

    1991-01-01

    Generalizations of hypergeometric functions to arbitrarily many symmetric variables are discussed, along with their associated hypergeometric coefficients, and the setting within which these generalizations arose. Identities generalizing the Euler identity for {sub 2}F{sub 1}, the Saalschuetz identity, and two generalizations of the {sub 4}F{sub 3} Bailey identity, among others, are given. 16 refs.

  15. Prediction of stream volatilization coefficients

    USGS Publications Warehouse

    Rathbun, Ronald E.

    1990-01-01

    Equations are developed for predicting the liquid-film and gas-film reference-substance parameters for quantifying volatilization of organic solutes from streams. Molecular weight and molecular-diffusion coefficients of the solute are used as correlating parameters. Equations for predicting molecular-diffusion coefficients of organic solutes in water and air are developed, with molecular weight and molal volume as parameters. Mean absolute errors of prediction for diffusion coefficients in water are 9.97% for the molecular-weight equation, 6.45% for the molal-volume equation. The mean absolute error for the diffusion coefficient in air is 5.79% for the molal-volume equation. Molecular weight is not a satisfactory correlating parameter for diffusion in air because two equations are necessary to describe the values in the data set. The best predictive equation for the liquid-film reference-substance parameter has a mean absolute error of 5.74%, with molal volume as the correlating parameter. The best equation for the gas-film parameter has a mean absolute error of 7.80%, with molecular weight as the correlating parameter.

  16. Adsorption of methylene blue from aqueous solution on pyrolyzed petrified sediment.

    PubMed

    Aroguz, Ayse Z; Gulen, J; Evers, R H

    2008-04-01

    The adsorption kinetics of methylene blue on pyrolyzed petrified sediment (PPS) has been performed using a batch-adsorption technique. The effects of various experimental parameters, such as initial dye concentration, contact time, and temperature were investigated. The pseudo-first-order and pseudo-second-order kinetic models were used to describe the kinetic data. The best correlation coefficient was obtained using the pseudo first-order kinetic model, which shows that the adsorption of methylene blue followed the pseudo-first-order rate expression and the rate constants were evaluated. The Langmuir and Freundlich adsorption isotherm models were applied to describe the equilibrium isotherms and the isotherm constants were determined. It was found that the data fitted well to Langmuir and Freundlich models. The activation energy of adsorption was also evaluated for the adsorption of methylene blue onto pyrolyzed sediment. It was found about 8.5 kJ mol(-1). Thermodynamics parameters DeltaG(o), DeltaH(o), DeltaS(o) were calculated, indicating that this process can be spontaneous and endothermic. The adsorption enthalpy and entropy were found as 14-18.5 kJ mol(-1) and 52.8-67 J mol(-1) K(-1), respectively. The results obtained from the adsorption process using PPS as adsorbent was subjected to student's t-test.

  17. Adsorption of polycyclic aromatic hydrocarbons by graphene and graphene oxide nanosheets.

    PubMed

    Wang, Jun; Chen, Zaiming; Chen, Baoliang

    2014-05-01

    The adsorption of naphthalene, phenanthrene, and pyrene onto graphene (GNS) and graphene oxide (GO) nanosheets was investigated to probe the potential adsorptive sites and molecular mechanisms. The microstructure and morphology of GNS and GO were characterized by elemental analysis, XPS, FTIR, Raman, SEM, and TEM. Graphene displayed high affinity to the polycyclic aromatic hydrocarbons (PAHs), whereas GO adsorption was significantly reduced after oxygen-containing groups were attached to GNS surfaces. An unexpected peak was found in the curve of adsorption coefficients (Kd) with the PAH equilibrium concentrations. The hydrophobic properties and molecular sizes of the PAHs affected the adsorption of G and GO. The high affinities of the PAHs to GNS are dominated by π-π interactions to the flat surface and the sieving effect of the powerful groove regions formed by wrinkles on GNS surfaces. In contrast, the adsorptive sites of GO changed to the carboxyl groups attaching to the edges of GO because the groove regions disappeared and the polar nanosheet surfaces limited the π-π interactions. The TEM and SEM images initially revealed that after loading with PAH, the conformation and aggregation of GNS and GO nanosheets dramatically changed, which explained the observations that the potential adsorption sites of GNS and GO were unusually altered during the adsorption process.

  18. Random sequential adsorption on fractals.

    PubMed

    Ciesla, Michal; Barbasz, Jakub

    2012-07-28

    Irreversible adsorption of spheres on flat collectors having dimension d < 2 is studied. Molecules are adsorbed on Sierpinski's triangle and carpet-like fractals (1 < d < 2), and on general Cantor set (d < 1). Adsorption process is modeled numerically using random sequential adsorption (RSA) algorithm. The paper concentrates on measurement of fundamental properties of coverages, i.e., maximal random coverage ratio and density autocorrelation function, as well as RSA kinetics. Obtained results allow to improve phenomenological relation between maximal random coverage ratio and collector dimension. Moreover, simulations show that, in general, most of known dimensional properties of adsorbed monolayers are valid for non-integer dimensions.

  19. Random sequential adsorption of polydisperse mixtures on lattices.

    PubMed

    Hart, R C; Aarão Reis, F D A

    2016-08-01

    Random sequential adsorption of linear and square particles with excluded volume interaction is studied numerically on planar lattices considering Gaussian distributions of lateral sizes of the incident particles, with several values of the average μ and of the width-to-average ratio w. When the coverage θ is plotted as function of the logarithm of time t, the maximum slope is attained at a time t_{M} of the same order of the time τ of incidence of one monolayer, which is related to the molecular flux and/or sticking coefficients. For various μ and w, we obtain 1.5τdistributions. The adsorbed particle-size distributions are close to the incident ones up to long times for small w, but appreciably change in time for larger w, acquiring a monotonically decreasing shape for w=1/2 at times of order 100τ. At t_{M}, incident and adsorbed distributions are approximately the same for w≤1/8 and show significant differences for w≥1/2; this result may be used as a consistency test in applications of the model. The pair correlation function g(r,t) for w≤1/8 has a well defined oscillatory structure at 10t_{M}, with a minimum at r≈μ and maximum at r≈1.5μ, but this structure is not observed for w≥1/4. PMID:27627372

  20. Random sequential adsorption of polydisperse mixtures on lattices

    NASA Astrophysics Data System (ADS)

    Hart, R. C.; Aarão Reis, F. D. A.

    2016-08-01

    Random sequential adsorption of linear and square particles with excluded volume interaction is studied numerically on planar lattices considering Gaussian distributions of lateral sizes of the incident particles, with several values of the average μ and of the width-to-average ratio w . When the coverage θ is plotted as function of the logarithm of time t , the maximum slope is attained at a time tM of the same order of the time τ of incidence of one monolayer, which is related to the molecular flux and/or sticking coefficients. For various μ and w , we obtain 1.5 τ distributions. The adsorbed particle-size distributions are close to the incident ones up to long times for small w , but appreciably change in time for larger w , acquiring a monotonically decreasing shape for w =1 /2 at times of order 100 τ . At tM, incident and adsorbed distributions are approximately the same for w ≤1 /8 and show significant differences for w ≥1 /2 ; this result may be used as a consistency test in applications of the model. The pair correlation function g (r ,t ) for w ≤1 /8 has a well defined oscillatory structure at 10 tM , with a minimum at r ≈μ and maximum at r ≈1.5 μ , but this structure is not observed for w ≥1 /4 .

  1. Adsorption on molecularly imprinted polymers of structural analogues of a template. Single-component adsorption isotherm data

    SciTech Connect

    Kim, Hyunjung; Guiochon, Georges A

    2005-10-01

    The equilibrium adsorption isotherms on two otherwise identical polymers, one imprinted with Fmoc-L-tryptophan (Fmoc-L-Trp) (MIP), the other nonimprinted (NIP), of compounds that are structural analogues of the template were acquired by frontal analysis (FA) in an acetonitrile/acetic acid (99/1 v/v) mobile phase, over a wide concentration range (from 0.005 to 50 mM). These analogues were Fmoc-L-tyrosine, Fmoc-L-serine, Fmoc-L-phenyalanine, Fmoc-glycine (Fmoc-Gly), Fmoc-L-tryptophan pentafluorophenyl ester (Fmoc-L-Trp(OPfp)), and their antipodes. These substrates have different numbers of functional groups able to interact with the 4-vinylpyridine groups of the polymer. For a given number of the functional groups, these substrates have different hydrophobicities of their side groups (as indicated by their partition coefficients (log P{sub ow}) in the octanol-water system (e.g., from 4.74 for Fmoc-Trp to 2.53 for Fmoc-Gly)). Statistical results from the fitting of the FA data to Langmuirian isotherm models, the calculation of the affinity energy distribution, and the comparison of calculated and experimental band profiles show that all these sets of FA data are best accounted for by a tri-Langmuir isotherm model, except for the data of Fmoc-L-Trp(OPfp) that are best modeled by a simple Langmuir isotherm. So, all compounds but Fmoc-L-Trp(OPfp) find three different types of adsorption sites on both the MIP and the NIP. The properties of these different types of sites were studied systematically. The results show that the affinity of the structural analogues for the NIP is controlled mostly by the number of the functional groups on the substrates and somewhat by the hydrophobicity of their side groups. These two factors control also the MIP affinity toward the enantiomers of the structural analogues that have a stereochemistry different from that of the template. In contrast, the affinity of the highest affinity sites of the MIP toward the enantiomers of these

  2. Centrifugal Adsorption Cartridge System

    NASA Technical Reports Server (NTRS)

    Gonda, Steve R.; Tsao, Yow-Min D.; Lee, Wenshan

    2004-01-01

    The centrifugal adsorption cartridge system (CACS) is an apparatus that recovers one or more bioproduct(s) from a dilute aqueous solution or suspension flowing from a bioreactor. The CACS can be used both on Earth in unit gravity and in space in low gravity. The CACS can be connected downstream from the bioreactor; alternatively, it can be connected into a flow loop that includes the bioreactor so that the liquid can be recycled. A centrifugal adsorption cartridge in the CACS (see figure) includes two concentric cylinders with a spiral ramp between them. The volume between the inner and outer cylinders, and between the turns of the spiral ramp is packed with an adsorbent material. The inner cylinder is a sieve tube covered with a gas-permeable, hydrophobic membrane. During operation, the liquid effluent from the bioreactor is introduced at one end of the spiral ramp, which then constrains the liquid to flow along the spiral path through the adsorbent material. The spiral ramp also makes the flow more nearly uniform than it would otherwise be, and it minimizes any channeling other than that of the spiral flow itself. The adsorbent material is formulated to selectively capture the bioproduct(s) of interest. The bioproduct(s) can then be stored in bound form in the cartridge or else eluted from the cartridge. The centrifugal effect of the spiral flow is utilized to remove gas bubbles from the liquid. The centrifugal effect forces the bubbles radially inward, toward and through the membrane of the inner cylinder. The gas-permeable, hydrophobic membrane allows the bubbles to enter the inner cylinder while keeping the liquid out. The bubbles that thus enter the cylinder are vented to the atmosphere. The spacing between the ramps determines rate of flow along the spiral, and thereby affects the air-bubble-removal efficiency. The spacing between the ramps also determines the length of the fluid path through the cartridge adsorbent, and thus affects the bioproduct

  3. Adsorption of lead on multi-walled carbon nanotubes with different outer diameters and oxygen contents: kinetics, isotherms and thermodynamics.

    PubMed

    Yu, Fei; Wu, Yanqing; Ma, Jie; Zhang, Chi

    2013-01-01

    The effects of different outer diameters and surface oxygen contents on the adsorption of heavy metals onto six types of multi-walled carbon nanotubes (MWCNTs) were investigated in an aqueous solution and lead was chosen as a model metal ion. The results indicated that the percentage removal and adsorption capacity of lead remarkably increased with decreasing outer diameter due to larger specific surface area (SSA). The SSA-normalized maximum adsorption capacity (qmSSA) and SSA-normalized adsorption coefficient (Kd/SSA) were strongly positively correlated with surface oxygen content, implying that lead adsorption onto MWCNTs significantly increases with the rise of oxygen content and decreases with decreasing SSA. The calculated thermodynamic parameters indicated that adsorption of lead on MWCNTs was endothermic and spontaneous. When the oxygen content of MWCNTs increased from 2.0% to 5.9%, the standard free energy (deltaG0) became more negative, which implied that the oxygenated functional groups increased the adsorption affinity of MWCNTs for lead. Through calculation of enthalpy (deltaH0), deltaG0 and free energy of adsorption (Ea), lead adsorption onto MWCNTs was recognized as a chemisorption process. The chemical interaction between lead and the phenolic groups of MWCNTs could be one of the main adsorption mechanisms due to highly positive correlations between the phenolic groups and Kd/SSA or qm/SSA.

  4. Ion adsorption and its influence on direct current electric field induced deformations of flexoelectric nematic layers

    NASA Astrophysics Data System (ADS)

    Derfel, Grzegorz; Buczkowska, Mariola

    2011-07-01

    The influence of ion adsorption on the behavior of the nematic liquid crystal layers is studied numerically. The homeotropic flexoelectric layer subjected to the dc electric field is considered. Selective adsorption of positive ions is assumed. The analysis is based on the free energy formalism for ion adsorption. The distributions of director orientation angle, electric potential, and ion concentrations are calculated by numerical resolving of suitable torques equations and Poisson equation. The threshold voltages for the deformations are also determined. It was shown that adsorption affects the distributions of both cations and anions. Sufficiently large number of adsorbed ions leads to spontaneous deformation arising without any threshold if the total number of ions creates sufficiently strong electric field with significant field gradients in the neighborhood of electrodes. The spontaneous deformations are favored by strong flexoelectricity, large thickness, large ion concentrations, weak anchoring, and large adsorption energy.

  5. Consistent transport coefficients in astrophysics

    NASA Technical Reports Server (NTRS)

    Fontenla, Juan M.; Rovira, M.; Ferrofontan, C.

    1986-01-01

    A consistent theory for dealing with transport phenomena in stellar atmospheres starting with the kinetic equations and introducing three cases (LTE, partial LTE, and non-LTE) was developed. The consistent hydrodynamical equations were presented for partial-LTE, the transport coefficients defined, and a method shown to calculate them. The method is based on the numerical solution of kinetic equations considering Landau, Boltzmann, and Focker-Planck collision terms. Finally a set of results for the transport coefficients derived for a partially ionized hydrogen gas with radiation was shown, considering ionization and recombination as well as elastic collisions. The results obtained imply major changes is some types of theoretical model calculations and can resolve some important current problems concerning energy and mass balance in the solar atmosphere. It is shown that energy balance in the lower solar transition region can be fully explained by means of radiation losses and conductive flux.

  6. High temperature Seebeck coefficient metrology

    SciTech Connect

    Martin, J.; Tritt, T.; Uher, C.

    2010-12-15

    We present an overview of the challenges and practices of thermoelectric metrology on bulk materials at high temperature (300 to 1300 K). The Seebeck coefficient, when combined with thermal and electrical conductivity, is an essential property measurement for evaluating the potential performance of novel thermoelectric materials. However, there is some question as to which measurement technique(s) provides the most accurate determination of the Seebeck coefficient at high temperature. This has led to the implementation of nonideal practices that have further complicated the confirmation of reported high ZT materials. To ensure meaningful interlaboratory comparison of data, thermoelectric measurements must be reliable, accurate, and consistent. This article will summarize and compare the relevant measurement techniques and apparatus designs required to effectively manage uncertainty, while also providing a reference resource of previous advances in high temperature thermoelectric metrology.

  7. Portable vapor diffusion coefficient meter

    DOEpatents

    Ho, Clifford K.

    2007-06-12

    An apparatus for measuring the effective vapor diffusion coefficient of a test vapor diffusing through a sample of porous media contained within a test chamber. A chemical sensor measures the time-varying concentration of vapor that has diffused a known distance through the porous media. A data processor contained within the apparatus compares the measured sensor data with analytical predictions of the response curve based on the transient diffusion equation using Fick's Law, iterating on the choice of an effective vapor diffusion coefficient until the difference between the predicted and measured curves is minimized. Optionally, a purge fluid can forced through the porous media, permitting the apparatus to also measure a gas-phase permeability. The apparatus can be made lightweight, self-powered, and portable for use in the field.

  8. Short-Cycle Adsorption Refrigerator

    NASA Technical Reports Server (NTRS)

    Chan, C. K.

    1988-01-01

    Modular adsorption/Joule-Thomson-effect refrigerator offers fast regeneration; adsorption/desorption cycle time expected to be 1 minute. Pressurized hydrogen generated by bank of compressor modules during heating phase passes through system of check valves and expands in Joule-Thomson junction as it enters refrigeration chamber. Hydrogen absorbs heat from load before it is sucked out by another bank of compressor modules in cooling phase.

  9. Reversible adsorption of hydrogen chloride to ice surfaces

    NASA Astrophysics Data System (ADS)

    Zimmermann, Stefan; Kippenberger, Matthias; Crowley, John

    2015-04-01

    Hydrogen chloride is the most important reservoir of gaseous, reactive chlorine in the atmosphere. Although several laboratory investigations of the interaction of HCl with ice surfaces have been conducted, there is still great uncertainty associated with the adsorption isotherms of HCl on ice, which is largely a consequence of most previous studies being unable to work at concentrations relevant for the atmosphere and to explore the non-saturated part of the isotherm at sub-monolayer coverage. We have conducted experiments on HCl uptake on ice surfaces at temperatures between 190 and 220 K, using a coated wall flow tube. HCl at concentrations as low as 2 × 109 molecule cm3 (~10-8 Torr) was detected using a chemical-ionization, quadrupole mass spectrometer. The equilibrium surface coverage of HCl on ice could be interpreted using the Langmuir-model to derive partition coefficients (KLang). We find that the dissociative Langmuir isotherm describes our data significantly better than the non-dissociative type. Surprisingly, and in contrast to the behavior of the majority of traces-gases which adsorb reversibly on ice surfaces, the partition-coefficients we derive for HCl do not show a systematic dependence on temperature, precluding the simple derivation of an adsorption enthalpy and indicating the presence of more complex adsorption and desorption mechanisms for strong acids ionizing on the surface compared to H-bonded trace gases.

  10. The interpretation of selection coefficients.

    PubMed

    Barton, N H; Servedio, M R

    2015-05-01

    Evolutionary biologists have an array of powerful theoretical techniques that can accurately predict changes in the genetic composition of populations. Changes in gene frequencies and genetic associations between loci can be tracked as they respond to a wide variety of evolutionary forces. However, it is often less clear how to decompose these various forces into components that accurately reflect the underlying biology. Here, we present several issues that arise in the definition and interpretation of selection and selection coefficients, focusing on insights gained through the examination of selection coefficients in multilocus notation. Using this notation, we discuss how its flexibility-which allows different biological units to be identified as targets of selection-is reflected in the interpretation of the coefficients that the notation generates. In many situations, it can be difficult to agree on whether loci can be considered to be under "direct" versus "indirect" selection, or to quantify this selection. We present arguments for what the terms direct and indirect selection might best encompass, considering a range of issues, from viability and sexual selection to kin selection. We show how multilocus notation can discriminate between direct and indirect selection, and describe when it can do so. PMID:25790030

  11. Surfactant adsorption kinetics in microfluidics

    PubMed Central

    Riechers, Birte; Maes, Florine; Akoury, Elias; Semin, Benoît; Gruner, Philipp; Baret, Jean-Christophe

    2016-01-01

    Emulsions are metastable dispersions. Their lifetimes are directly related to the dynamics of surfactants. We design a microfluidic method to measure the kinetics of adsorption of surfactants to the droplet interface, a key process involved in foaming, emulsification, and droplet coarsening. The method is based on the pH decay in the droplet as a direct measurement of the adsorption of a carboxylic acid surfactant to the interface. From the kinetic measurement of the bulk equilibration of the pH, we fully determine the adsorption process of the surfactant. The small droplet size and the convection during the droplet flow ensure that the transport of surfactant through the bulk is not limiting the kinetics of adsorption. To validate our measurements, we show that the adsorption process determines the timescale required to stabilize droplets against coalescence, and we show that the interface should be covered at more than 90% to prevent coalescence. We therefore quantitatively link the process of adsorption/desorption, the stabilization of emulsions, and the kinetics of solute partitioning—here through ion exchange—unraveling the timescales governing these processes. Our method can be further generalized to other surfactants, including nonionic surfactants, by making use of fluorophore–surfactant interactions. PMID:27688765

  12. PDMS compound adsorption in context.

    PubMed

    Li, Nianzhen; Schwartz, Michael; Ionescu-Zanetti, Cristian

    2009-02-01

    Soft lithography of polydimethylsiloxane (PDMS), an elastomeric polymer, has enabled rapid and inexpensive fabrication of microfluidic devices for various biotechnology applications. However, concerns remain about adsorption of compounds on PDMS surfaces because of its porosity and hydrophobicity. Here, the adsorption of 2 small fluorescent dyes of different hydrophobicity (calcein and 5- (and 6-)carboxytetramethylrhodamine (TMR)) on PDMS surface has been systematically characterized, and PDMS adsorption has been compared with 2 traditional substrates: glass and polystyrene. To characterize adsorption in a regimen that is more relevant to microfluidic applications, the adsorption and desorption of the 2 compounds in PDMS microfluidic channels under flow conditions were also studied. Results showed that there was minimal adsorption of the hydrophilic compound calcein on PDMS, whereas the more hydrophobic TMR adsorbed on PDMS up to 4 times of that on glass or polystyrene. Under flow conditions, the desorption profiles and times needed to drop desorbed compound concentrations to negligible levels (desorption time constant, 10-42 s) were characterized. In the worst case scenario, after a 4-min exposure to TMR, 4 min of continuous wash resulted in compound concentrations in the microchannels to drop to values below 2 x 10(- 5) of the initial concentration.

  13. Probing the pore wall structure of nanoporous carbons using adsorption.

    PubMed

    Nguyen, Thanh X; Bhatia, Suresh K

    2004-04-27

    Hitherto, adsorption has been traditionally used to study only the porous structure in disordered materials, while the structure of the solid phase skeleton has been probed by crystallographic methods such as X-ray diffraction. Here we show that for carbons density functional theory, suitably adapted to consider heterogeneity of the pore walls, can be reliably used to probe features of the solid structure hitherto accessibly only approximately even by crystallographic methods. We investigate a range of carbons and determine pore wall thickness distributions using argon adsorption, with results corroborated by X-ray diffraction.

  14. Selected pesticides adsorption and desorption in substrates from artificial wetland and forest buffer.

    PubMed

    Passeport, Elodie; Benoit, Pierre; Bergheaud, Valérie; Coquet, Yves; Tournebize, Julien

    2011-07-01

    Buffer zones such as artificial wetlands and forest buffers may help decrease non-point-source pesticide pollution from agricultural catchments. The present study focuses on understanding the role of the substrates mainly found in such buffer zones for pesticide adsorption and desorption. Radiolabeled [(14)C]isoproturon, [(14)C]metazachlor, and [(14)C]epoxiconazole were used to measure adsorption and desorption isotherms on wetland sediments and plants and forest soil and litter from two sites in France. Wetland sediments and forest soil exhibited the most important potential for pesticide adsorption. Wetland plants and forest litter also showed high adsorption coefficients and were associated with highly hysteretic desorption, particularly for the moderately mobile isoproturon and metazachlor. Adsorption of the highly hydrophobic epoxiconazole was strong and associated with weak desorption from all substrates. Calculated sorption coefficients were larger than those classically measured on soils. Isoproturon, metazachlor, and epoxiconazole K(OC) sorption coefficients ranged from 84 to 372, 131 to 255, and 1,356 to 3,939 L/kg, respectively. Therefore, specifically collecting buffer zone substrate sorption data is needed for modeling purposes. Results showed that forests and wetlands present potential for pesticide retention. This may be enhanced by planting vegetation and leaving dead vegetal material in buffer zone design.

  15. Kinetic Batch Soil Adsorption Studies of 2, 4-dinitroanisole (DNAN)

    NASA Astrophysics Data System (ADS)

    Arthur, J.; Mark, N. W.; Taylor, S.; Brusseau, M. L.; Dontsova, K.

    2014-12-01

    Currently the explosive 2, 4, 6- trinitrotoluene (TNT) is used as a main ingredient in munitions; however the compound has failed to meet sensitivity requirements. The replacement compound being tested is 2, 4-dinitroanisole (DNAN). DNAN is less sensitive to shock, high temperatures, and has good detonation characteristics. However, DNAN is more soluble than TNT, which can influence transport and fate behavior and thus bioavailability and exposure potential. DNAN has been shown to have some human and environmental toxicity. The objective of this study was to investigate the environmental fate of DNAN in soil, with a specific focus on sorption processes. Batch experiments were conducted using 11 soils collected from military installations located across the United States. The soils were characterized for pH, specific surface area, electrical conductivity, cation exchange capacity, and organic carbon content. Adsorption kinetic data determined at room temperature were fitted using the first order kinetic equation. Adsorption isotherms were fitted with linear and Freundlich isotherm equations. The magnitudes of the linear adsorption coefficients ranged from 0.6 to 6 cm3/g. Results indicated that the adsorption of DNAN is strongly dependent on the amount of organic carbon present in the soil.

  16. Frequency-Rank Distributions

    ERIC Educational Resources Information Center

    Brookes, Bertram C.; Griffiths, Jose M.

    1978-01-01

    Frequency, rank, and frequency rank distributions are defined. Extensive discussion on several aspects of frequency rank distributions includes the Poisson process as a means of exploring the stability of ranks; the correlation of frequency rank distributions; and the transfer coefficient, a new measure in frequency rank distribution. (MBR)

  17. Adsorption in gas mass spectrometry. I. Effects on the measurement of individual isotopic species

    NASA Astrophysics Data System (ADS)

    Gonfiantini, Roberto; Valkiers, Staf; Taylor, Philip D. P.; de Bièvre, Paul

    1997-05-01

    The adsorption-desorption process of gas molecules on the walls of the mass spectrometer inlet system was studied in order to assess quantitatively its influence on measurement results. The effects on individual isotopic species in SiF4 measurements required for the re-determination of the Avogadro constant are discussed in this paper, while the effects on isotope amount ratio determinations will be discussed in a companion paper. A model based on the Langmuir adsorption isotherm is developed, which fits well the experimental observations and provides the means to investigate adsorption and desorption kinetics in the inlet system. A parameter called the [`]apparent leak-rate coefficient' is introduced; this represents the relative variation with time of any isotopic species in the inlet system. All the adsorption parameters appearing in the balance equations are derived from the apparent leak-rate coefficient. Application of the model to long mass-spectrometric measurements of SiF4 yields a rate constant of 6.5 × 10-5 s-1 for SiF4 effusion through the molecular leak of the inlet system. Adsorption and desorption rate-constants are equal to 20-25% of the leak rate-constant, and the adsorption sites are about two orders of magnitude lower than the number of Ni and Cu atoms present on the inlet system walls.

  18. A modified Langmuir-Freundlich isotherm model for simulating pH-dependent adsorption effects

    NASA Astrophysics Data System (ADS)

    Jeppu, Gautham P.; Clement, T. Prabhakar

    2012-03-01

    Analytical isotherm equations such as Langmuir and Freundlich isotherms are widely used for modeling adsorption data. However, these isotherms are primarily useful for simulating data collected at a fixed pH value and cannot be easily adapted to simulate pH-dependent adsorption effects. Therefore, most adsorption studies currently use numerical surface-complexation models (SCMs), which are more complex and time consuming than traditional analytical isotherm models. In this work, we propose a new analytical isotherm model, identified as the modified Langmuir-Freundlich (MLF) isotherm, which can be used to simulate pH-dependent adsorption. The MLF isotherm uses a linear correlation between pH and affinity coefficient values. We validated the proposed MLF isotherm by predicting arsenic adsorption onto two different types of sorbents: pure goethite and goethite-coated sand. The MLF model gave good predictions for both experimental and surface complexation-model predicted datasets for these two sorbents. The proposed analytical isotherm framework can help reduce modeling complexity, model development time, and computational efforts. One of the limitations of the proposed method is that it is currently valid only for single-component systems. Furthermore, the model requires a system-specific pH. vs. affinity coefficient relation. Despite these limitations, the approach provides a promising analytical framework for simulating pH-dependent adsorption effects.

  19. Selective Adsorption and Selective Transport Diffusion of CO2-CH4 Binary Mixture in Coal Ultramicropores.

    PubMed

    Zhao, Yongliang; Feng, Yanhui; Zhang, Xinxin

    2016-09-01

    The adsorption and diffusion of the CO2-CH4 mixture in coal and the underlying mechanisms significantly affect the design and operation of any CO2-enhanced coal-bed methane recovery (CO2-ECBM) project. In this study, bituminous coal was fabricated based on the Wiser molecular model and its ultramicroporous parameters were evaluated; molecular simulations were established through Grand Canonical Monte Carlo (GCMC) and Molecular Dynamic (MD) methods to study the effects of temperature, pressure, and species bulk mole fraction on the adsorption isotherms, adsorption selectivity, three distinct diffusion coefficients, and diffusivity selectivity of the binary mixture in the coal ultramicropores. It turns out that the absolute adsorption amount of each species in the mixture decreases as temperature increases, but increases as its own bulk mole fraction increases. The self-, corrected, and transport diffusion coefficients of pure CO2 and pure CH4 all increase as temperature or/and their own bulk mole fractions increase. Compared to CH4, the adsorption and diffusion of CO2 are preferential in the coal ultramicropores. Adsorption selectivity and diffusivity selectivity were simultaneously employed to reveal that the optimal injection depth for CO2-ECBM is 800-1000 m at 308-323 K temperature and 8.0-10.0 MPa. PMID:27518119

  20. Optical reflectivity changes induced by adsorption on metal surfaces: The origin and applications to monitoring adsorption kinetics

    NASA Astrophysics Data System (ADS)

    Dvorak, Joseph; Dai, Hai-Lung

    2000-01-01

    It is observed that when a monolayer of CO and acetylene is chemisorbed on the Cu(100) surface, the reflectivity of the metal surface at the He-Ne laser wavelength of 632 nm is reduced on the order of 1%, while the physisorption of water, methanol, and acetone induces a reflectivity change on the order of 0.01%. The small reflectivity change induced by physisorption can be described by a three-layer model taking into account the molecular layer refractive index. The much bigger reflectivity change induced by the chemisorbed adsorbates, on the other hand, is a result of bonding perturbations to the electronic structure of the metal surface layer. The latter is supported by an electron scattering model description of the reflectivity change up to 1.96 eV on Cu. For both CO and acetylene, the optical reflectivity change is found to be linearly proportional to the submonolayer coverage. The phenomenon thus offers an excellent method to measure surface kinetics. It is found from the reflectivity change measurements that the initial sticking coefficient for both adsorbates is nearly unity at 110 K; 0.85 for CO and 1.0 for acetylene. The temperature and coverage dependence of the sticking coefficient shows that the adsorption behavior of both molecules is well described as direct adsorption mediated with an extrinsic precursor. For acetylene adsorption, the sticking coefficient shows little dependence on the substrate temperature suggesting that the "extrinsic precursor" is not a thermally equilibrated species. For CO, the transition into a compression phase beyond 0.5 ML results in a corresponding change in the sticking coefficient deduced from the reflectivity data.

  1. Using two coefficients modeling of nonsubsampled Shearlet transform for despeckling

    NASA Astrophysics Data System (ADS)

    Jafari, Saeed; Ghofrani, Sedigheh

    2016-01-01

    Synthetic aperture radar (SAR) images are inherently affected by multiplicative speckle noise. Two approaches based on modeling the nonsubsampled Shearlet transform (NSST) coefficients are presented. Two-sided generalized Gamma distribution and normal inverse Gaussian probability density function have been used to model the statistics of NSST coefficients. Bayesian maximum a posteriori estimator is applied to the corrupted NSST coefficients in order to estimate the noise-free NSST coefficients. Finally, experimental results, according to objective and subjective criteria, carried out on both artificially speckled images and the true SAR images, demonstrate that the proposed methods outperform other state of art references via two points of view, speckle noise reduction and image quality preservation.

  2. An instrumental variable random-coefficients model for binary outcomes

    PubMed Central

    Chesher, Andrew; Rosen, Adam M

    2014-01-01

    In this paper, we study a random-coefficients model for a binary outcome. We allow for the possibility that some or even all of the explanatory variables are arbitrarily correlated with the random coefficients, thus permitting endogeneity. We assume the existence of observed instrumental variables Z that are jointly independent with the random coefficients, although we place no structure on the joint determination of the endogenous variable X and instruments Z, as would be required for a control function approach. The model fits within the spectrum of generalized instrumental variable models, and we thus apply identification results from our previous studies of such models to the present context, demonstrating their use. Specifically, we characterize the identified set for the distribution of random coefficients in the binary response model with endogeneity via a collection of conditional moment inequalities, and we investigate the structure of these sets by way of numerical illustration. PMID:25798048

  3. Effect of effluent organic matter on the adsorption of perfluorinated compounds onto activated carbon.

    PubMed

    Yu, Jing; Lv, Lu; Lan, Pei; Zhang, Shujuan; Pan, Bingcai; Zhang, Weiming

    2012-07-30

    Effect of effluent organic matter (EfOM) on the adsorption of perfluorooctane sulfonate (PFOS) and perfluorooctanoate (PFOA) onto powdered activated carbon (PAC) was quantitatively investigated at environmentally relevant concentration levels. The adsorption of both perfluorinated compounds (PFCs) onto PAC followed pseudo-second order kinetics and fitted the Freundlich model well under the given conditions. Intraparticle diffusion was found to be the rate-controlling step in the PFC adsorption process onto PAC in the absence and presence of EfOM. The presence of EfOM, either in PFC-EfOM simultaneous adsorption onto fresh PAC or in PFC adsorption onto EfOM-preloaded PAC, significantly reduced the adsorption capacities and sorption rates of PFCs. The pH of zero point of charge was found to be 7.5 for fresh PAC and 4.2 for EfOM-preloaded PAC, suggesting that the adsorbed EfOM imparted a negative charge on PAC surface. The effect of molecular weight distribution of EfOM on the adsorption of PFCs was investigated with two EfOM fractions obtained by ultrafiltration. The low-molecular-weight compounds (<1kDa) were found to be the major contributors to the significant reduction in PFC adsorption capacity, while large-molecular-weight compounds (>30kDa) had much less effect on PFC adsorption capacity. PMID:22609392

  4. Adsorption of benzene, cyclohexane and hexane on ordered mesoporous carbon.

    PubMed

    Wang, Gang; Dou, Baojuan; Zhang, Zhongshen; Wang, Junhui; Liu, Haier; Hao, Zhengping

    2015-04-01

    Ordered mesoporous carbon (OMC) with high specific surface area and large pore volume was synthesized and tested for use as an adsorbent for volatile organic compound (VOC) disposal. Benzene, cyclohexane and hexane were selected as typical adsorbates due to their different molecular sizes and extensive utilization in industrial processes. In spite of their structural differences, high adsorption amounts were achieved for all three adsorbates, as the pore size of OMC is large enough for the access of these VOCs. In addition, the unusual bimodal-like pore size distribution gives the adsorbates a higher diffusion rate compared with conventional adsorbents such as activated carbon and carbon molecular sieve. Kinetic analysis suggests that the adsorption barriers mainly originated from the difficulty of VOC vapor molecules entering the pore channels of adsorbents. Therefore, its superior adsorption ability toward VOCs, together with a high diffusion rate, makes the ordered mesoporous carbon a promising potential adsorbent for VOC disposal. PMID:25872710

  5. Enhanced saturation coverages in adsorption-desorption processes

    NASA Astrophysics Data System (ADS)

    Van Tassel, Paul R.; Viot, Pascal; Tarjus, Gilles; Ramsden, Jeremy J.; Talbot, Julian

    2000-01-01

    Many experimental studies of protein deposition on solid surfaces involve alternating adsorption/desorption steps. In this paper, we investigate the effect of a desorption step (separating two adsorption steps) on the kinetics, the adsorbed-layer structure, and the saturation density. Our theoretical approach involves a density expansion of the pair distribution function and an application of an interpolation formula to estimate the saturation density as a function of the density at which the desorption process commences, ρ1, and the density of the depleted configuration, ρ2. The theory predicts an enhancement of the saturation density compared with that of a simple, uninterrupted random sequential adsorption (RSA) process and a maximum in the saturation density when ρ2=(2/3)ρ1. The theoretical results are in qualitative and semiquantitative agreement with the results of numerical simulations.

  6. Improved measurements of partition coefficients for polybrominated diphenyl ethers.

    PubMed

    Wang, Wei; Delgado-Moreno, Laura; Ye, Qingfu; Gan, Jay

    2011-02-15

    Polybrominated diphenyl ethers (PBDEs) are a class of widely used brominated flame retardants with strong hydrophobicity. Due to their strong affinity for organic matter, accurate measurement of adsorption coefficients for PBDEs using conventional batch methods can be confounded by biases caused by their sorption to dissolved organic carbon (DOC). In this study, sorption isotherms were constructed for BDE-47 and BDE-99 in sediments by using different methods to measure the aqueous phase concentration Cw. Upon centrifugation, Cw measured by automated solid-phase microextraction (Cw-SPME) was consistently smaller than by liquid-liquid extraction (Cw-LLE), suggesting substantial association of PBDEs with DOC. Significant underestimations (1.2-106-fold) of sediment-water partition coefficient Kd occurred when Cw was measured by LLE. The log KDOC values derived from the SPME measurements ranged from 5.10 to 8.02 for eight congeners from BDE-28 to BDE-183, suggesting a strong tendency for PBDEs to complex with DOC. This study showed that PBDE congeners have larger sorption coefficients than would be measured by the conventional method. The high affinity to DOC also means a potential for DOC-facilitated transport, thus enhancing the environmental mobility of PBDEs. PMID:21210679

  7. PREDICTING THE ADSORPTION CAPACITY OF ACTIVATED CARBON FOR ORGANIC CONTAMINANTS FROM ADSORBENT AND ADSORBATE PROPERTIES

    EPA Science Inventory

    A quantitative structure-property relationship (QSPR) was developed and combined with the Polanyi-Dubinin-Manes model to predict adsorption isotherms of emerging contaminants on activated carbons with a wide range of physico-chemical properties. Affinity coefficientsl

  8. Coefficient adaptive triangulation for strongly anisotropic problems

    SciTech Connect

    D`Azevedo, E.F.; Romine, C.H.; Donato, J.M.

    1996-01-01

    Second order elliptic partial differential equations arise in many important applications, including flow through porous media, heat conduction, the distribution of electrical or magnetic potential. The prototype is the Laplace problem, which in discrete form produces a coefficient matrix that is relatively easy to solve in a regular domain. However, the presence of anisotropy produces a matrix whose condition number is increased, making the resulting linear system more difficult to solve. In this work, we take the anisotropy into account in the discretization by mapping each anisotropic region into a ``stretched`` coordinate space in which the anisotropy is removed. The region is then uniformly triangulated, and the resulting triangulation mapped back to the original space. The effect is to generate long slender triangles that are oriented in the direction of ``preferred flow.`` Slender triangles are generally regarded as numerically undesirable since they tend to cause poor conditioning; however, our triangulation has the effect of producing effective isotropy, thus improving the condition number of the resulting coefficient matrix.

  9. Adsorption characteristics of rocks from vapor-dominated geothermal reservoir at the Geysers, CA

    SciTech Connect

    Satik, Cengiz; Walters, Mark; Horne, Roland N.

    1996-01-24

    This paper reports on a continuing experimental effort to characterize the adsorption behavior of rocks from The Geysers steam field in California. We show adsorption results obtained for 36 rock samples. All of the adsorption isotherms plotted on the same graph exhibit an envelope of isotherms. The minimum and the maximum values of the slope (or rate of adsorption) and of the magnitude within this envelope of isotherms belonged to the UOC-1 (felsite) and NCPA B-5 (serpentine) samples. The values of surface area and porosity, and pore size distribution for 19 of the samples indicated a very weak correlation with adsorption. An interpretation of the pore size distributions and the liquid saturation isotherms suggests that the change in the slope and the magnitude of the adsorption isotherms within the envelope is controlled primarily by the physical adsorption mechanism instead of capillary condensation. Grain-size and framework grain to matrix ratio are found to be insufficient to characterize this adsorption behavior. An accurate identification of the mineralogy of the samples will be essential to complete this analysis.

  10. Determination of secnidazole in urine by adsorptive stripping voltammetry.

    PubMed

    Radi, A E; Hassanein, A

    2000-05-01

    Cyclic voltammetry was used to explore the adsorption behavior of secnidazole on a hanging mercury drop electrode (HMDE). The effects of various operational parameters on the accumulation behavior of the adsorbed species were tested. Thus, a sensitive stripping voltammetry procedure for the determination of secnidazole with an adsorptive accumulation on the surface of HMDE has been developed. Measurements were taken by differential-pulse voltammetry after determination of the optimum conditions. The linear concentration range was 1 x 10(-8)-1 x 10(-7) s when using a 120 s preconcentration at -0.1 V vs. Ag/AgCl in acetate buffer of pH 4.0. The detection limit of secnidazole was 5 x 10(-9) M. The precision, expressed by the coefficient of variation, was 2.5% (n = 10) at a concentration of 1 x 10(-7) m. The method was successfully applied to the analysis of secnidazole in urine. PMID:10823692

  11. Using the range to calculate the coefficient of variation.

    PubMed

    Rhiel, G Steven

    2004-12-01

    In this research a coefficient of variation (CVhigh-low) is calculated from the highest and lowest values in a set of data. Use of CVhigh-low when the population is normal, leptokurtic, and skewed is discussed. The statistic is the most effective when sampling from the normal distribution. With the leptokurtic distributions, CVhigh-low works well for comparing the relative variability between two or more distributions but does not provide a very "good" point estimate of the population coefficient of variation. With skewed distributions CVhigh-low works well in identifying which data set has the more relative variation but does not specify how much difference there is in the variation. It also does not provide a "good" point estimate.

  12. Strontium Batch Distribution Coefficients with Envelope C (AN-107) Simulant

    SciTech Connect

    Hassan, N.M.

    2001-03-16

    The pretreatment process for the Hanford River Protection Project is to treat Hanford underground storage tank waste and provide decontaminated salt solution and concentrated eluate streams for vitrification into low and high activity waste glass, respectively. The pretreatment includes sludge washing, filtration, precipitation, and ion exchange processes to remove entrained solids, cesium, transuranics, technetium, and strontium.

  13. Distribution coefficients of alcohols in the air-butanol system

    SciTech Connect

    Filimonov, V.N.; Milyaev, Yu.F.; Balyatinskaya, L.N.

    1987-12-01

    The chromatographic analysis of mixtures of lower C/sub 1/-C/sub 3/ aliphatic alcohols was made; n-butanol was used as the absorbent. A Tsvet-100 chromatograph was used with a flame ionization detector, which was calibrated against standard solutions of alcohols in the n-butanol. Characteristics of the absorption concentration are shown. The liquid phase was analyzed for various concentrations of the substance being determined after bringing it into equilibrium with the gas phase. According to the limits of detection found experimentally, the gain in the increase in sensitivity in the analysis of alcohols having an equilibrium concentration compared with direct chromatographing comprises the values 1.1, 6.9, and 8.7.

  14. Comparative adsorption isotherms and modeling of methylene blue onto activated carbons

    NASA Astrophysics Data System (ADS)

    Belhachemi, Meriem; Addoun, Fatima

    2011-12-01

    The adsorption of methylene blue (MB) on activated carbons prepared from date stones with different degree of activation has been investigated. Equilibrium adsorption data of MB was carried out at 298 K. Four isotherm models (Freundlich, Langmuir, Redlich-Peterson and Sips) were tested for modeling the adsorption isotherms by nonlinear method. The three-parameter equations (Redlich-Peterson and Sips) showed more applicability than the two-parameter equations (Freundlich and Langmuir), which can be explained by the fact that these have three adjustable parameters. The best fit was achieved with the Redlich-Peterson equation according to the high value of correlation coefficient. All the samples were capable of retaining the MB, with the best result being reached by the sample with higher burn-off. Date stones activated carbon showed high adsorption capacity of 460 mg/g, calculated from the Sips isotherm model.

  15. Adsorptive behavior and electrochemical determination of the anti-fungal agent ketoconazole.

    PubMed

    Peng, T Z; Cheng, Q; Yang, C F

    2001-08-01

    The adsorptive properties and electrochemical behavior of ketoconazole, an oral anti-fungal agent, are demonstrated at a glassy carbon electrode. The adsorption of the compound obeys the Frumkin isotherm with an interaction factor (alpha) of 0.985 and adsorptive coefficient (beta) of 1.98 x 10(6) L mol(-1). The Gibbs energy of adsorption (deltaG) is -3.59 x 10(4) J mol(-1) at 25 degrees C. A very sensitive electroanalytical method has been developed for determination of the drug with a detection limit of 4.0 x 10(-11) mol L(-1). Relationships between stripping current and concentration of ketoconazole were linear in the range 10(-6)-10(-10) mol L(-1) with different preconcentration periods. The method has been used to measure the ketoconazole content of tablets.

  16. Adsorption of Ti atoms on zigzag silicene nanoribbons: influence on electric, magnetic, and thermoelectric properties

    NASA Astrophysics Data System (ADS)

    Xu, Long; Wang, Xue-Feng; Zhou, Liping; Yang, Zhi-Yong

    2015-06-01

    We study the adsorption effects of Ti atoms on the physical properties of zigzag silicene nanoribbons using the density functional theory combined with the nonequilibrium Green’s function methods. The adsorption geometries, conductance spectra, current voltage curves, spin polarizations, magnetoresistance, and Seebeck coefficients are evaluated in different adsorption samples. Ti adatoms prefer sites inside the nanoribbons instead of on the edges. Two neighboring adatoms are attractively coupled and prefer being adsorbed on the same side. The giant magnetoresistance in nanoribbons of even width is usually greatly reduced, except in symmetric adsorption cases. Strong spin negative differential resistance phenomena can be observed and pure spin current can be produced by temperature gradient in specific cases.

  17. Adsorption and recognition characteristics of surface molecularly imprinted polymethacrylic acid/silica toward genistein.

    PubMed

    Zhang, Yanyan; Gao, Baojiao; An, Fuqiang; Xu, Zeqing; Zhang, Tingting

    2014-09-12

    In this paper, on the basis of surface-initiated graft polymerization, a new surface molecular imprinting technique is established by molecular design. And molecularly imprinted polymer MIP-PMAA/SiO2 is successfully prepared with genistein as template. The adsorption and recognition characteristics of MIP-PMAA/SiO2 for genistein are studied in depth by using static method, dynamic method and competitive adsorption experiment. The experimental results show that MIP-PMAA/SiO2 possesses very strong adsorption affinity and specific recognition for genistein. The saturated adsorption capacity could reach to 0.36mmolg(-1). The selectivity coefficients relative to quercetin and rutin are 5.4 and 11.8, respectively. Besides, MIP-PMAA/SiO2 is regenerated easily and exhibits excellent reusability. PMID:25085816

  18. Adsorption rate of phenol from aqueous solution onto organobentonite: surface diffusion and kinetic models.

    PubMed

    Ocampo-Perez, Raul; Leyva-Ramos, Roberto; Mendoza-Barron, Jovita; Guerrero-Coronado, Rosa M

    2011-12-01

    The concentration decay curves for the adsorption of phenol on organobentonite were obtained in an agitated tank batch adsorber. The experimental adsorption rate data were interpreted with diffusional models as well as first-order, second-order and Langmuir kinetic models. The surface diffusion model adjusted the data quite well, revealing that the overall rate of adsorption was controlled by surface diffusion. Furthermore, the surface diffusion coefficient increased raising the mass of phenol adsorbed at equilibrium and was independent of the particle diameter in the range 0.042-0.0126 cm. It was demonstrated that the overall rate of adsorption was essentially not affected by the external mass transfer. The second-order and the Langmuir kinetic models fitted the experimental data quite well; however, the kinetic constants of both models varied without any physical meaning while increasing the particle size and the mass of phenol adsorbed at equilibrium.

  19. Kinetics and mechanism of removal of methylene blue by adsorption onto perlite.

    PubMed

    Doğan, Mehmet; Alkan, Mahir; Türkyilmaz, Aydin; Ozdemir, Yasemin

    2004-06-18

    The kinetics and mechanism of methylene blue adsorption on perlite have been studied. The effects of various experimental parameters, such as initial dye concentration, temperature and pH on the adsorption rate were investigated. Adsorption measurements show that the process is very fast and physical in nature. The extent of the dye removal increased with increase in the initial concentration of the dye and the initial pH and temperature of solution. Adsorption data were modelled using the first and second-order kinetic equations, mass transfer and intra-particle diffusion models. It was shown that the second-order kinetic equation could best describe the sorption kinetics. The diffusion coefficient, D, was found to increase when the initial dye concentration, pH and temperature were raised. Thermodynamic activation parameters, such as DeltaG*, DeltaS* and DeltaH*, were calculated.

  20. High temperature water adsorption on The Geysers rocks

    SciTech Connect

    Gruszkiewicz, M.S.; Horita, J.; Simonson, J.M.; Mesmer, R.E.

    1997-08-01

    In order to measure water retention by geothermal reservoir rocks at the actual reservoir temperature, the ORNL high temperature isopiestic apparatus was adapted for adsorption measurements. The quality of water retained by rock samples taken from three different wells of The Geysers geothermal reservoir was measured at 150{sup degree}C, 200{sup degree}C, and 250{sup degree}C as a function of pressure in the range 0.00 {<=}p/p{sub degree} {<=} 0.98, where p{sub degree} is the saturated water vapor pressure. Both adsorption (increasing pressure) and desorption (decreasing pressure) runs were made in order to investigate the nature and the extent of the hysteresis. Additionally, low temperature gas adsorption analyses were performed on the same rock samples. Nitrogen or krypton adsorption and desorption isotherms at 77 K were used to obtain BET specific surface areas, pore volumes and their distributions with respect to pore sizes. Mercury intrusion porosimetry was also used to obtain similar information extending to very large pores (macropores). A correlation is sought between water adsorption, the surface properties, and the mineralogical and petrological characteristics of the solids.

  1. Temperature dependence of Kerr coefficient and quadratic polarized optical coefficient of a paraelectric Mn:Fe:KTN crystal

    NASA Astrophysics Data System (ADS)

    Lu, Qieni; Han, Jinxin; Dai, Haitao; Ge, Baozhen; Zhao, Shuang

    2015-08-01

    We measure temperature dependence on Kerr coefficient and quadratic polarized optical coefficient of a paraelectric Mn:Fe:KTN crystal simultaneously in this work, based on digital holographic interferometry (DHI). And the spatial distribution of the field-induced refractive index change can also be visualized and estimated by numerically retrieving sequential phase maps of Mn:Fe:KTN crystal from recording digital holograms in different states. The refractive indices decrease with increasing temperature and quadratic polarized optical coefficient is insensitive to temperature. The experimental results suggest that the DHI method presented here is highly applicable in both visualizing the temporal and spatial behavior of the internal electric field and accurately measuring electro-optic coefficient for electrooptical media.

  2. Application of surface complexation models to anion adsorption by natural materials.

    PubMed

    Goldberg, Sabine

    2014-10-01

    Various chemical models of ion adsorption are presented and discussed. Chemical models, such as surface complexation models, provide a molecular description of anion adsorption reactions using an equilibrium approach. Two such models, the constant capacitance model and the triple layer model, are described in the present study. Characteristics common to all the surface complexation models are equilibrium constant expressions, mass and charge balances, and surface activity coefficient electrostatic potential terms. Methods for determining parameter values for surface site density, capacitances, and surface complexation constants also are discussed. Spectroscopic experimental methods of establishing ion adsorption mechanisms include vibrational spectroscopy, nuclear magnetic resonance spectroscopy, electron spin resonance spectroscopy, X-ray absorption spectroscopy, and X-ray reflectivity. Experimental determinations of point of zero charge shifts and ionic strength dependence of adsorption results and molecular modeling calculations also can be used to deduce adsorption mechanisms. Applications of the surface complexation models to heterogeneous natural materials, such as soils, using the component additivity and the generalized composite approaches are described. Emphasis is on the generalized composite approach for predicting anion adsorption by soils. Continuing research is needed to develop consistent and realistic protocols for describing ion adsorption reactions on soil minerals and soils. The availability of standardized model parameter databases for use in chemical speciation-transport models is critical. PMID:24619924

  3. Adsorption of sunset yellow FCF from aqueous solution by chitosan-modified diatomite.

    PubMed

    Zhang, Y Z; Li, J; Li, W J; Li, Y

    2015-01-01

    Sunset yellow (SY) FCF is a hazardous azo dye pollutant found in food processing effluent. This study investigates the use of diatomaceous earth with chitosan (DE@C) as a modified adsorbent for the removal of SY from wastewater. Fourier transform infrared spectroscopy results indicate the importance of functional groups during the adsorption of SY. The obtained N2 adsorption-desorption isotherm values accord well with IUPAC type II. Our calculations determined a surface area of 69.68 m2 g(-1) for DE@C and an average pore diameter of 4.85 nm. Using response surface methodology, optimized conditions of process variables for dye adsorption were achieved. For the adsorption of SY onto DE@C, this study establishes mathematical models for the optimization of pH, contact time and initial dye concentration. Contact time plays a greater role in the adsorption process than either pH or initial dye concentration. According to the adjusted correlation coefficient (adj-R2>0.97), the models used here are suitable for illustration of the adsorption process. Theoretical experimental conditions included a pH of 2.40, initial dye concentration of 113 mg L(-1) and 30.37 minutes of contact time. Experimental values for the adsorption rate (92.54%) were close to the values predicted by the models (95.29%). PMID:26540549

  4. Kinetics and thermodynamic study of aniline adsorption by multi-walled carbon nanotubes from aqueous solution.

    PubMed

    Al-Johani, Hind; Abdel Salam, Mohamed

    2011-08-15

    Multi-walled carbon nanotubes (MWCNTs) were used in the adsorptive removal of aniline, an organic pollutant, from an aqueous solution. It was found that carbon nanotubes with a higher specific surface area adsorbed and removed more aniline from an aqueous solution. The adsorption was dependent on factors, such as MWCNTs dosage, contact time, aniline concentration, solution pH and temperature. The adsorption study was analyzed kinetically, and the results revealed that the adsorption followed pseudo-second order kinetics with good correlation coefficients. In addition, it was found that the adsorption of aniline occurred in two consecutive steps, including the slow intra-particle diffusion of aniline molecules through the nanotubes. Various thermodynamic parameters, including the Gibbs free energy change (ΔG°), enthalpy change (ΔH°) and entropy change (ΔS°), were calculated. The results indicated that the spontaneity of the adsorption, exothermic nature of the adsorption and the decrease in the randomness reported as ΔG°, ΔH° and ΔS°, respectively, were all negative.

  5. [Surface characteristics of alkali modified activated carbon and the adsorption capacity of methane].

    PubMed

    Zhang, Meng-Zhu; Li, Lin; Liu, Jun-Xin; Sun, Yong-Jun; Li, Guo-Bin

    2013-01-01

    Coconut shell based activated carbon was modified by alkali with different concentrations. The surface structures of tested carbons were observed and analyzed by SEM and BET methods. Boehm's titration and SEM/EDS methods were applied to assay the functional groups and elements on the carbon surface. The adsorption of methane on tested carbons was investigated and adsorption behavior was described by the adsorption isotherms. Results showed that surface area and pore volume of modified carbon increased and surface oxygen groups decreased as the concentration of the alkali used increased, with no obvious change in pore size. When concentration of alkali was higher than 3.3 mol x L(-1), the specific surface area and pore volume of modified carbon was larger than that of original carbon. Methane adsorption capacity of alkali modified carbon increased 24%. Enlargement of surface area and pore volume, reduction of surface oxygen groups will benefit to enhance the methane adsorption ability on activated carbon. Adsorption behavior of methane followed the Langmuir isotherm and the adsorption coefficient was 163.7 m3 x mg(-1).

  6. Effects of phosphate on the adsorption of glyphosate on three different types of Chinese soils.

    PubMed

    Wang, Yu-Jun; Zhou, Dong-mei; Sun, Rui-juan

    2005-01-01

    Glyphosate (GPS) is a non-selective, post-mergence herbicide that is widely used throughout the world. Due to the similar molecular structures of glyphosate and phosphate, adsorption of glyphosate on soil is easily affected by coexisting phosphate, especially when phosphate is applied at a significant rate in farmland. This paper studied the effects of phosphate on the adsorption of glyphosate on three different types of Chinese soils including two variable charge soils and one permanent charge soil. The results indicated that Freundlich equations used to simulate glyphosate adsorption isotherms gave high correlation coefficients (0.990-0.998) with K values of 2751, 2451 and 166 for the zhuanhong soil(ZH soil, Laterite), red soil(RS, Udic Ferrisol) and Wushan paddy soil (WS soil, Anthrosol), respectively. The more the soil iron and aluminum oxides and clay contained, the more glyphosate adsorbed. The presence of phosphate significantly decreased the adsorption of glyphosate to the soils by competing with glyphosate for adsorption sites of soils. Meanwhile, the effects of phosphate on adsorption of glyphosate on the two variable charge soils were more significant than that on the permanent charge soil. When phosphate and glyphosate were added in the soils in different orders, the adsorption quantities of glyphosate on the soils were different, which followed GPS-soil > GPS-P-soil = GPS-soil-P > P-soil-GPS, meaning a complex interaction occurred among glyphosate, phosphate and the soils. PMID:16312989

  7. Adsorption of sunset yellow FCF from aqueous solution by chitosan-modified diatomite.

    PubMed

    Zhang, Y Z; Li, J; Li, W J; Li, Y

    2015-01-01

    Sunset yellow (SY) FCF is a hazardous azo dye pollutant found in food processing effluent. This study investigates the use of diatomaceous earth with chitosan (DE@C) as a modified adsorbent for the removal of SY from wastewater. Fourier transform infrared spectroscopy results indicate the importance of functional groups during the adsorption of SY. The obtained N2 adsorption-desorption isotherm values accord well with IUPAC type II. Our calculations determined a surface area of 69.68 m2 g(-1) for DE@C and an average pore diameter of 4.85 nm. Using response surface methodology, optimized conditions of process variables for dye adsorption were achieved. For the adsorption of SY onto DE@C, this study establishes mathematical models for the optimization of pH, contact time and initial dye concentration. Contact time plays a greater role in the adsorption process than either pH or initial dye concentration. According to the adjusted correlation coefficient (adj-R2>0.97), the models used here are suitable for illustration of the adsorption process. Theoretical experimental conditions included a pH of 2.40, initial dye concentration of 113 mg L(-1) and 30.37 minutes of contact time. Experimental values for the adsorption rate (92.54%) were close to the values predicted by the models (95.29%).

  8. Effects of phosphate on the adsorption of glyphosate on three different types of Chinese soils.

    PubMed

    Wang, Yu-Jun; Zhou, Dong-mei; Sun, Rui-juan

    2005-01-01

    Glyphosate (GPS) is a non-selective, post-mergence herbicide that is widely used throughout the world. Due to the similar molecular structures of glyphosate and phosphate, adsorption of glyphosate on soil is easily affected by coexisting phosphate, especially when phosphate is applied at a significant rate in farmland. This paper studied the effects of phosphate on the adsorption of glyphosate on three different types of Chinese soils including two variable charge soils and one permanent charge soil. The results indicated that Freundlich equations used to simulate glyphosate adsorption isotherms gave high correlation coefficients (0.990-0.998) with K values of 2751, 2451 and 166 for the zhuanhong soil(ZH soil, Laterite), red soil(RS, Udic Ferrisol) and Wushan paddy soil (WS soil, Anthrosol), respectively. The more the soil iron and aluminum oxides and clay contained, the more glyphosate adsorbed. The presence of phosphate significantly decreased the adsorption of glyphosate to the soils by competing with glyphosate for adsorption sites of soils. Meanwhile, the effects of phosphate on adsorption of glyphosate on the two variable charge soils were more significant than that on the permanent charge soil. When phosphate and glyphosate were added in the soils in different orders, the adsorption quantities of glyphosate on the soils were different, which followed GPS-soil > GPS-P-soil = GPS-soil-P > P-soil-GPS, meaning a complex interaction occurred among glyphosate, phosphate and the soils.

  9. Measurements of thermal accommodation coefficients.

    SciTech Connect

    Rader, Daniel John; Castaneda, Jaime N.; Torczynski, John Robert; Grasser, Thomas W.; Trott, Wayne Merle

    2005-10-01

    A previously-developed experimental facility has been used to determine gas-surface thermal accommodation coefficients from the pressure dependence of the heat flux between parallel plates of similar material but different surface finish. Heat flux between the plates is inferred from measurements of temperature drop between the plate surface and an adjacent temperature-controlled water bath. Thermal accommodation measurements were determined from the pressure dependence of the heat flux for a fixed plate separation. Measurements of argon and nitrogen in contact with standard machined (lathed) or polished 304 stainless steel plates are indistinguishable within experimental uncertainty. Thus, the accommodation coefficient of 304 stainless steel with nitrogen and argon is estimated to be 0.80 {+-} 0.02 and 0.87 {+-} 0.02, respectively, independent of the surface roughness within the range likely to be encountered in engineering practice. Measurements of the accommodation of helium showed a slight variation with 304 stainless steel surface roughness: 0.36 {+-} 0.02 for a standard machine finish and 0.40 {+-} 0.02 for a polished finish. Planned tests with carbon-nanotube-coated plates will be performed when 304 stainless-steel blanks have been successfully coated.

  10. Metal adsorption on mosses: Toward a universal adsorption model.

    PubMed

    González, A G; Pokrovsky, O S

    2014-02-01

    This study quantifies the adsorption of heavy metals on 4 typical moss species used for environmental monitoring in the moss bag technique. The adsorption of Cu(2+), Cd(2+), Ni(2+), Pb(2+) and Zn(2+) onto Hypnum sp., Sphagnum sp., Pseudoscleropodium purum and Brachytecium rutabulum has been investigated using a batch reactor in a wide range of pH (1.3-11.0) and metal concentrations in solution (1.6μM-3.8mM). A Linear Programming Model (LPM) was applied for the experimental data to derive equilibrium constants and the number of surface binding sites. The surface acid-base titration performed for 4 mosses at a pH range of 3-10 in 0.1M NaNO3 demonstrated that Sphagnum sp. is the most efficient adsorbent as it has the maximal number of proton-binding sites on the surface (0.65mmol g(-1)). The pKa computed for all the moss species suggested the presence of 5 major functional groups: phosphodiester, carboxyl, phosphoryl, amine and polyphenols. The results of pH-edge experiments demonstrated that B. rutabulum exhibits the highest percentage of metal adsorption and has the highest number of available sites for most of the metals studied. However, according to the results of the constant pH "Langmuirian" isotherm, Sphagnum sp. can be considered as the strongest adsorbent, although the relative difference from other mosses is within 20%. The LPM was found to satisfactorily fit the experimental data in the full range of the studied solution parameters. The results of this study demonstrate a rather similar pattern of five metal adsorptions on mosses, both as a function of pH and as a metal concentration, which is further corroborated by similar values of adsorption constants. Therefore, despite the species and geographic differences between the mosses, a universal adsorption edge and constant pH adsorption isotherm can be recommended for 4 studied mosses. The quantitative comparison of metal adsorption with other common natural organic and inorganic materials demonstrates

  11. Measurement of molecular diffusion coefficients in supercritical carbon dioxide using a coated capillary column

    SciTech Connect

    Lai, C.C.; Tan, C.S. . Dept. of Chemical Engineering)

    1995-02-01

    Molecular diffusion coefficients of ethyl acetate, toluene, phenol, and caffeine in supercritical carbon dioxide were measured by a chromatographic peak broadening technique in a coated capillary column at temperatures of 308, 318, and 328 K and pressures up to 145 bar. A linear adsorption in the polymer layer coated on the inner wall of the capillary column was observed. The experimentally determined diffusion coefficients showed substantial agreement with those reported in the literature. The diffusion coefficients were in the order of 10[sup [minus]4] cm[sup 2]/s and decreased with increasing carbon dioxide density. Based on the molecular diffusion coefficient data reported here and those published elsewhere, an empirically modified Wilke-Chang equation was proposed which was found to be more quantitative than some existing equations such as the Stokes-Einstein and Wilke-Chang equations.

  12. Synthesis and adsorption of functionalized polystyrenes

    SciTech Connect

    Iyengar, D.R.

    1992-12-31

    The effect of specifically interacting functional groups located at the chain ends of polystyrene on the absorption rate, adsorbance, graft density and surface excess are discussed from cyclohexane, a theta solvent and toluene. Polystyrenes with hydroxyl and carboxylic acid-end-groups in narrow molecular weight distribution are synthesized by anionic polymerization of styrene followed by suitable termination reactions. Thin layer chromatography (TLC) is developed as an analytical technique to predict trends in the adsorption of the polymers in a range of solvents. In particular the information about the localization of the end-group and therefore different chain architectures at the interface are inferred from this simple technique. Adsorption isotherms are obtained for each of the functionalized polymers of four different molecular weights, the selection of which was based on the TLC results. Kinetics of adsorption and the adsorbance data are determined by liquid counting of tritium labelled polymers. Graft density and surface excess data are calculated from the adsorbance data and other known parameters. It is shown, from these data, that polystyrenes with a carboxylic acid end-group form weakly stretched brushes at the glass-cyclohexane interface and mushrooms at the glass-toluene interface a result consistent with the higher osmotic repulsions towards packing in good solvents. Polystyrenes with function groups at both the chain ends are hypothesized to form a range of structures from those dominated by tails at higher concentrations to those dominated by loops and trains at lower solution concentrations. At higher molecular weights it is shown that functionalized a result consistent with the TLC predictions. Hydroxyl end-group is shown to be an ineffective sticky foot from its adsorbance vis-a-vis polystyrene.

  13. Lubrication, adsorption, and rheology of aqueous polysaccharide solutions.

    PubMed

    Stokes, Jason R; Macakova, Lubica; Chojnicka-Paszun, Agnieszka; de Kruif, Cornelis G; de Jongh, Harmen H J

    2011-04-01

    Aqueous lubrication is currently at the forefront of tribological research due to the desire to learn and potentially mimic how nature lubricates biotribological contacts. We focus here on understanding the lubrication properties of naturally occurring polysaccharides in aqueous solution using a combination of tribology, adsorption, and rheology. The polysaccharides include pectin, xanthan gum, gellan, and locus bean gum that are all widely used in food and nonfood applications. They form rheologically complex fluids in aqueous solution that are both shear thinning and elastic, and their normal stress differences at high shear rates are found to be characteristic of semiflexible/rigid molecules. Lubrication is studied using a ball-on-disk tribometer with hydrophobic elastomer surfaces, mimicking biotribological contacts, and the friction coefficient is measured as a function of speed across the boundary, mixed, and hydrodynamic lubrication regimes. The hydrodynamic regime, where the friction coefficient increases with increasing lubricant entrainment speed, is found to depend on the viscosity of the polysaccharide solutions at shear rates of around 10(4) s(-1). The boundary regime, which occurs at the lowest entrainment speeds, depends on the adsorption of polymer to the substrate. In this regime, the friction coefficient for a rough substrate (400 nm rms roughness) is dependent on the dry mass of polymer adsorbed to the surface (obtained from surface plasmon resonance), while for a smooth substrate (10 nm rms roughness) the friction coefficient is strongly dependent on the hydrated wet mass of adsorbed polymer (obtained from quartz crystal microbalance, QCM-D). The mixed regime is dependent on both the adsorbed film properties and lubricant's viscosity at high shear rates. In addition, the entrainment speed where the friction coefficient is a minimum, which corresponds to the transition between the hydrodynamic and mixed regime, correlates linearly with the ratio

  14. Investigation of mono/competitive adsorption of environmentally relevant ionized weak acids on graphite: impact of molecular properties and thermodynamics.

    PubMed

    Moustafa, Ahmed M A; McPhedran, Kerry N; Moreira, Jesús; Gamal El-Din, Mohamed

    2014-12-16

    The thermodynamics of adsorption and competitive interactions of five weak acids on a graphite surface was assessed in alkaline solutions. Adsorption of the acids in mono- and multicompound solutions followed their Freundlich isotherms which suggest a diversity of graphite adsorption sites as confirmed by the presence of carboxylic and phenolic groups observed on graphite surfaces. Thermodynamic calculations assigned the formation of the negatively charged assisted hydrogen bond (-CAHB) between ionized solutes and adsorbent surface groups as the possible adsorption mechanism. However, the similar pKa values of current acids resulted in comparable free energies for -CAHB formation (ΔG(-CAHB)) being less than solvation free energies (ΔGSolv). Thus, additional ΔG is supplemented by increased hydrophobicity due to proton exchange of ionized acids with water (ΔΔG Hydrophobicity). Adsorption capacities and competition coefficients indicated that ΔΔG Hydrophobicity values depend on the neutral and ionized acid Kow. Competitive adsorption implies that multilayer adsorption may occur via hydrophobic bonding with the CH3 ends of the self-assembled layer which affects the acid adsorption capacities in mixtures as compared to monocompound solutions. The determination of adsorption mechanisms will assist in understanding of the fate and bioavailability of emerging and classical weak acids released into natural waters.

  15. Fractional Statistical Theory of Adsorption of Polyatomics

    NASA Astrophysics Data System (ADS)

    Riccardo, J. L.; Ramirez-Pastor, A. J.; Romá, F.

    2004-10-01

    A new theoretical description of fractional statistical theory of adsorption (FSTA) phenomena is presented based on Haldane’s statistics. Thermodynamic functions for adsorption of polyatomics are analytically developed. The entropy is characterized by an exclusion parameter g, which relates to the configuration of the admolecules and surface geometry. FSTA provides a simple framework to address a large class of complex adsorption systems. Comparisons of theoretical adsorption isotherms with experiments and simulations indicate that adsorption configuration and adsorption energy can accurately be assessed from this theory.

  16. Fractional statistical theory of adsorption of polyatomics.

    PubMed

    Riccardo, J L; Ramirez-Pastor, A J; Romá, F

    2004-10-29

    A new theoretical description of fractional statistical theory of adsorption (FSTA) phenomena is presented based on Haldane's statistics. Thermodynamic functions for adsorption of polyatomics are analytically developed. The entropy is characterized by an exclusion parameter g, which relates to the configuration of the admolecules and surface geometry. FSTA provides a simple framework to address a large class of complex adsorption systems. Comparisons of theoretical adsorption isotherms with experiments and simulations indicate that adsorption configuration and adsorption energy can accurately be assessed from this theory. PMID:15525184

  17. Liquid-Phase Adsorption of Phenol onto Activated Carbons Prepared with Different Activation Levels.

    PubMed

    Hsieh; Teng

    2000-10-01

    The influence of the pore size distribution of activated carbon on the adsorption of phenol from aqueous solutions was explored. Activated carbons with different porous structures were prepared by gasifying a bituminous coal char to different extents of burn-off. The results of adsorption experiments show that the phenol capacity of these carbons does not proportionally increase with their BET surface area. This reflects the heterogeneity of the carbon surface for adsorption. The pore size distributions of these carbons, determined according to the Dubinin-Stoeckli equation, were found to vary with the burn-off level. By incorporating the distribution with the Dubinin-Radushkevich equation using an inverse proportionality between the micropore size and the adsorption energy, the isotherms for the adsorption of phenol onto these carbons can be well predicted. The present study has demonstrated that the heterogeneity of carbon surface for the phenol adsorption can be attributed to the different energies required for adsorption in different-size micropores. Copyright 2000 Academic Press. PMID:10998301

  18. Characterizing particle-scale equilibrium adsorption and kinetics of uranium(VI) desorption from U-contaminated sediments

    SciTech Connect

    Stoliker, Deborah L.; Liu, Chongxuan; Kent, Douglas B.; Zachara, John M.

    2013-02-12

    Rates of contaminant U(VI) release from individual size fractions of a composite sediment from the seasonally saturated lower vadose zone of the Hanford 300-Area were examined in flow-through batch reactors to maintain quasi-constant chemical conditions. Variability in equilibrium adsorption among the various size fractions was determined in static batch reactors and analyzed using the surface complexation modeling approach. The estimated stoichiometric coefficients of U(VI) surface complexation reactions with respect to pH and carbonate concentrations varied with size fractions. This source of variability significantly increased the uncertainty in U(VI) conditional equilibrium constants over that estimated from experimental errors alone. A minimum difference between conditional equilibrium constants was established in order to evaluate statistically significant differences between sediment adsorption properties. A set of equilibrium and kinetic expressions for cation exchange, calcite dissolution, aerobic respiration, and silica dissolution were incorporated in a reaction-rate model to describe the temporal evolution of solute concentrations observed during the flow-through batch experiments. Parameters in the reaction-rate model, calibrated using experimental data for select size fractions, predicted the changes in solute concentrations for the bulk, <2 mm, sediment sample. Kinetic U(VI) desorption was well described using a multi-rate surface complexation model with an assumed lognormal distribution for the rate constants. The estimated mean and standard deviation were the same for all < 2mm size fractions, but differed in the 2-8mm size fraction. Micropore volumes in the varied size fractions were also similar as assessed using t-plots to analyze N2 desorption data. These findings provide further support for the link between microporosity and particle-scale mass transfer rates controlling kinetic U(VI) adsorption/desorption and for the utility of N2 desorption

  19. Host receptors for bacteriophage adsorption.

    PubMed

    Bertozzi Silva, Juliano; Storms, Zachary; Sauvageau, Dominic

    2016-02-01

    The adsorption of bacteriophages (phages) onto host cells is, in all but a few rare cases, a sine qua non condition for the onset of the infection process. Understanding the mechanisms involved and the factors affecting it is, thus, crucial for the investigation of host-phage interactions. This review provides a survey of the phage host receptors involved in recognition and adsorption and their interactions during attachment. Comprehension of the whole infection process, starting with the adsorption step, can enable and accelerate our understanding of phage ecology and the development of phage-based technologies. To assist in this effort, we have established an open-access resource--the Phage Receptor Database (PhReD)--to serve as a repository for information on known and newly identified phage receptors. PMID:26755501

  20. Adsorption on a stepped substrate

    NASA Astrophysics Data System (ADS)

    Merikoski, J.; Timonen, J.; Kaski, K.

    1994-09-01

    The effect of substrate steps on the adsorption of particles is considered. The problem is formulated as a lattice-gas model with nearest neighbor interactions and it is studied by a numerical transfer-matrix method. In particular, the influence of the substrate-induced row potential on adsorbed monolayers is discussed. It is found that strong row-transition-like features appear in the presence of a row potential and it is suggested that these may be seen in adsorption on vicinal faces.

  1. Ratios of internal conversion coefficients

    SciTech Connect

    Raman, S.; Ertugrul, M.; Nestor, C.W. . E-mail: CNestorjr@aol.com; Trzhaskovskaya, M.B.

    2006-03-15

    We present here a database of available experimental ratios of internal conversion coefficients for different atomic subshells measured with an accuracy of 10% or better for a number of elements in the range 26 {<=} Z {<=} 100. The experimental set involves 414 ratios for pure and 1096 ratios for mixed-multipolarity nuclear transitions in the transition energy range from 2 to 2300 keV. We give relevant theoretical ratios calculated in the framework of the Dirac-Fock method with and without regard for the hole in the atomic subshell after conversion. For comparison, the ratios obtained within the relativistic Hartree-Fock-Slater approximation are also presented. In cases where several ratios were measured for the same transition in a given isotope in which two multipolarities were involved, we present the mixing ratio {delta} {sup 2} obtained by a least squares fit.

  2. Thermodynamic formalism of water uptakes on solid porous adsorbents for adsorption cooling applications

    SciTech Connect

    Sun, Baichuan; Chakraborty, Anutosh

    2014-05-19

    This Letter presents a thermodynamic formulation to calculate the amount of water vapor uptakes on various adsorbents such as zeolites, metal organic frameworks, and silica gel for the development of an advanced adsorption chiller. This formalism is developed from the rigor of the partition distribution function of each water vapor adsorptive site on adsorbents and the condensation approximation of adsorptive water molecules and is validated with experimental data. An interesting and useful finding has been established that the proposed model is thermodynamically connected with the pore structures of adsorbent materials, and the water vapor uptake highly depends on the isosteric heat of adsorption at zero surface coverage and the adsorptive sites of the adsorbent materials. Employing the proposed model, the thermodynamic trends of water vapor uptakes on various adsorbents can be estimated.

  3. Equilibrium models and kinetic for the adsorption of methylene blue on Co-hectorites.

    PubMed

    Ma, Jun; Jia, Yong-Zhong; Jing, Yan; Sun, Jin-He; Yao, Ying; Wang, Xiao-Hua

    2010-03-15

    The adsorption of methylene blue (MB) onto the surface of cobalt doping hectorite (Co-hectorite) was systematically studied. The physical properties of Co-hectorites were investigated, where characterizations were carried out by X-ray diffraction (XRD) and Electron Diffraction Spectrum (EDS) techniques, and morphology was examined by nitrogen adsorption. The sample with a Co content 5% (m/m) had a higher specific surface area than other Co-hectorites. The pore diameters were distributed between 2.5 and 5.0 nm. The adsorption results revealed that Co-hectorite surfaces possessed effective interactions with MB and bases, and greatest adsorption capacity achieved with Co content 5%, where the best-fit isotherm model was the Langmuir adsorption model. Kinetic studies were fitted to the pseudo-second-order kinetic model. The intraparticle diffusion was not the rate-limiting step for the whole reaction.

  4. Selective homopolymer adsorption on structured surfaces as a model for pattern recognition.

    PubMed

    Gemünden, Patrick; Behringer, Hans

    2013-01-14

    Homopolymer adsorption onto chemically structured periodic surfaces and its potential for pattern recognition is investigated using Monte Carlo simulations. To analyze the surface-induced selective adsorption on a fundamental geometric level polymer chains are represented by freely jointed chains with a fixed bond length whose monomers are attracted by the sites of regular lattice patterns. The structural properties of the adsorbed low-temperature state are comprehensively discussed for different lattices by looking at the radius of gyration and the inter bond angle distributions. These observables show a non-trivial dependence on the commensurability of characteristic lengths given by the lattice constant and by the bond length. Reasons for this behavior are given by exploiting geometric and entropic arguments. The findings are examined in the context of pattern recognition by polymer adsorption. Furthermore, the adsorption transition is discussed briefly. For certain incommensurable situations the adsorption occurs in two steps due to entropic restrictions.

  5. Thermodynamic formalism of water uptakes on solid porous adsorbents for adsorption cooling applications

    NASA Astrophysics Data System (ADS)

    Sun, Baichuan; Chakraborty, Anutosh

    2014-05-01

    This Letter presents a thermodynamic formulation to calculate the amount of water vapor uptakes on various adsorbents such as zeolites, metal organic frameworks, and silica gel for the development of an advanced adsorption chiller. This formalism is developed from the rigor of the partition distribution function of each water vapor adsorptive site on adsorbents and the condensation approximation of adsorptive water molecules and is validated with experimental data. An interesting and useful finding has been established that the proposed model is thermodynamically connected with the pore structures of adsorbent materials, and the water vapor uptake highly depends on the isosteric heat of adsorption at zero surface coverage and the adsorptive sites of the adsorbent materials. Employing the proposed model, the thermodynamic trends of water vapor uptakes on various adsorbents can be estimated.

  6. Kinetics of adsorption with granular, powdered, and fibrous activated carbon

    SciTech Connect

    Shmidt, J.L.; Pimenov, A.V.; Lieberman, A.I.; Cheh, H.Y.

    1997-08-01

    The properties of three different types of activated carbon, fibrous, powdered, and granular, were investigated theoretically and experimentally. The adsorption rate of the activated carbon fiber was found to be two orders of magnitude higher than that of the granular activated carbon, and one order of magnitude higher than that of the powdered activated carbon. Diffusion coefficients of methylene blue in the fibrous, powdered, and granular activated carbons were determined experimentally. A new method for estimating the meso- and macropore surface areas in these carbons was proposed.

  7. Fractional statistical theory of adsorption applied to protein adsorption.

    PubMed

    Quiroga, E; Centres, P M; Ochoa, N A; Ramirez-Pastor, A J

    2013-01-15

    Experimental adsorption isotherms of bovine serum albumin (BSA) adsorbed on sulfonated microspheres were described by means of two analytical models: the first is the well-known Langmuir-Freundlich model (LF), and the second, called fractional statistical theory of adsorption (FSTA), is a statistical thermodynamics model developed recently by Ramirez-Pastor et al. [Phys. Rev. Lett. 93 (2004) 186101]. The experimental data, obtained by Hu et al. [Biochem. Eng. J. 23 (2005) 259] for different concentrations of sulfonate group on the surface of the microspheres, were correlated by using a fitting algorithm based on least-squares statistics. The combination of LF and FSTA models, along with the choice of an adequate fitting procedure, allowed us to obtain several conclusions: (i) as previously reported in the literature, the maximum amount adsorbed increases as the amount of sulfonate group increases; (ii) the equilibrium constant does not appear as a sensitive parameter to the amount of sulfonate group on the surface of the microspheres; and (iii) the values of the fitting parameters obtained from FSTA may be indicative of a mismatch between the equilibrium separation of the intermolecular interaction and the distance between the adsorption sites. The exhaustive study presented here has shown that FSTA model is a good one considering the complexity of the physical situation, which is intended to be described and could be more useful in interpreting experimental data of adsorption of molecules with different sizes and shapes. PMID:23084559

  8. Red Cell Membrane Permeability Deduced from Bulk Diffusion Coefficients

    PubMed Central

    Redwood, W. R.; Rall, E.; Perl, W.

    1974-01-01

    The permeability coefficients of dog red cell membrane to tritiated water and to a series of[14C]amides have been deduced from bulk diffusion measurements through a "tissue" composed of packed red cells. Red cells were packed by centrifugation inside polyethylene tubing. The red cell column was pulsed at one end with radiolabeled solute and diffusion was allowed to proceed for several hours. The distribution of radioactivity along the red cell column was measured by sequential slicing and counting, and the diffusion coefficient was determined by a simple plotting technique, assuming a one-dimensional diffusional model. In order to derive the red cell membrane permeability coefficient from the bulk diffusion coefficient, the red cells were assumed to be packed in a regular manner approximating closely spaced parallelopipeds. The local steady-state diffusional flux was idealized as a one-dimensional intracellular pathway in parallel with a one-dimensional extracellular pathway with solute exchange occurring within the series pathway and between the pathways. The diffusion coefficients in the intracellular and extracellular pathways were estimated from bulk diffusion measurements through concentrated hemoglobin solutions and plasma, respectively; while the volume of the extracellular pathway was determined using radiolabeled sucrose. The membrane permeability coefficients were in satisfactory agreement with the data of Sha'afi, R. I., C. M. Gary-Bobo, and A. K. Solomon (1971. J. Gen. Physiol. 58:238) obtained by a rapid-reaction technique. The method is simple and particularly well suited for rapidly permeating solutes. PMID:4443795

  9. Generalized transport coefficients for inelastic Maxwell mixtures under shear flow.

    PubMed

    Garzó, Vicente; Trizac, Emmanuel

    2015-11-01

    The Boltzmann equation framework for inelastic Maxwell models is considered to determine the transport coefficients associated with the mass, momentum, and heat fluxes of a granular binary mixture in spatially inhomogeneous states close to the simple shear flow. The Boltzmann equation is solved by means of a Chapman-Enskog-type expansion around the (local) shear flow distributions f(r)(0) for each species that retain all the hydrodynamic orders in the shear rate. Due to the anisotropy induced by the shear flow, tensorial quantities are required to describe the transport processes instead of the conventional scalar coefficients. These tensors are given in terms of the solutions of a set of coupled equations, which can be analytically solved as functions of the shear rate a, the coefficients of restitution α(rs), and the parameters of the mixture (masses, diameters, and composition). Since the reference distribution functions f(r)(0) apply for arbitrary values of the shear rate and are not restricted to weak dissipation, the corresponding generalized coefficients turn out to be nonlinear functions of both a and α(rs). The dependence of the relevant elements of the three diffusion tensors on both the shear rate and dissipation is illustrated in the tracer limit case, the results showing that the deviation of the generalized transport coefficients from their forms for vanishing shear rates is in general significant. A comparison with the previous results obtained analytically for inelastic hard spheres by using Grad's moment method is carried out, showing a good agreement over a wide range of values for the coefficients of restitution. Finally, as an application of the theoretical expressions derived here for the transport coefficients, thermal diffusion segregation of an intruder immersed in a granular gas is also studied.

  10. Generalized transport coefficients for inelastic Maxwell mixtures under shear flow.

    PubMed

    Garzó, Vicente; Trizac, Emmanuel

    2015-11-01

    The Boltzmann equation framework for inelastic Maxwell models is considered to determine the transport coefficients associated with the mass, momentum, and heat fluxes of a granular binary mixture in spatially inhomogeneous states close to the simple shear flow. The Boltzmann equation is solved by means of a Chapman-Enskog-type expansion around the (local) shear flow distributions f(r)(0) for each species that retain all the hydrodynamic orders in the shear rate. Due to the anisotropy induced by the shear flow, tensorial quantities are required to describe the transport processes instead of the conventional scalar coefficients. These tensors are given in terms of the solutions of a set of coupled equations, which can be analytically solved as functions of the shear rate a, the coefficients of restitution α(rs), and the parameters of the mixture (masses, diameters, and composition). Since the reference distribution functions f(r)(0) apply for arbitrary values of the shear rate and are not restricted to weak dissipation, the corresponding generalized coefficients turn out to be nonlinear functions of both a and α(rs). The dependence of the relevant elements of the three diffusion tensors on both the shear rate and dissipation is illustrated in the tracer limit case, the results showing that the deviation of the generalized transport coefficients from their forms for vanishing shear rates is in general significant. A comparison with the previous results obtained analytically for inelastic hard spheres by using Grad's moment method is carried out, showing a good agreement over a wide range of values for the coefficients of restitution. Finally, as an application of the theoretical expressions derived here for the transport coefficients, thermal diffusion segregation of an intruder immersed in a granular gas is also studied. PMID:26651684

  11. Batch removal of malachite green from aqueous solutions by adsorption on oil palm trunk fibre: equilibrium isotherms and kinetic studies.

    PubMed

    Hameed, B H; El-Khaiary, M I

    2008-06-15

    Oil palm trunk fibre (OPTF)--an agricultural solid waste--was used as low-cost adsorbent to remove malachite green (MG) from aqueous solutions. The operating variables studied were contact time, initial dye concentration, and solution pH. Equilibrium adsorption data were analyzed by three isotherms, namely the Freundlich isotherm, the Langmuir isotherm, and the multilayer adsorption isotherm. The best fit to the data was obtained with the multilayer adsorption. The monolayer adsorption capacity of OPTF was found to be 149.35 mg/g at 30 degrees C. Adsorption kinetic data were modeled using the Lagergren pseudo-first-order, Ho's pseudo-second-order and Elovich models. It was found that the Lagergren's model could be used for the prediction of the system's kinetics. The overall rate of dye uptake was found to be controlled by external mass transfer at the beginning of adsorption, then for initial MG concentrations of 25, 50, 100, 150, and 300 mg/L the rate-control changed to intraparticle diffusion at a later stage, but for initial MG concentrations 200 and 250 mg/L no evidence was found of intraparticle diffusion at any period of adsorption. It was found that with increasing the initial concentration of MG, the pore-diffusion coefficient increased while the film-diffusion coefficient decreased. PMID:18022316

  12. Adsorption of Organics from Domestic Water Supplies.

    ERIC Educational Resources Information Center

    McGuire, Michael J.; Suffet, Irwin H.

    1978-01-01

    This article discusses the current state of the art of organics removal by adsorption. Various theoretical explanations of the adsorption process are given, along with practical results from laboratory, pilot-scale, and full-scale applications. (CS)

  13. CONTAMINANT ADSORPTION AND OXIDATION VIA FENTON REACTION

    EPA Science Inventory

    A ground water treatment process is proposed involving two cgemical processes: adsorption and oxidation. Adsorption of an organic compound onto granulated activated carbon (GAC) containing iron conveniently results in immobilizing and concentrating contaminants from the ground w...

  14. Measuring the Soret coefficient of nanoparticles in a dilute suspension

    PubMed Central

    Zhao, Chao; Fu, Jinxin; Oztekin, Alparslan; Cheng, Xuanhong

    2014-01-01

    Thermophoresis is an efficient process for the manipulation of molecules and nanoparticles due to the strong force it generates on the nanoscale. Thermophoresis is characterized by the Soret coefficient. Conventionally, the Soret coefficient of nanosized species is obtained by fitting the concentration profile under a temperature gradient at the steady state to a continuous phase model. However, when the number density of the target is ultralow and the dispersed species cannot be treated as a continuous phase, the bulk concentration fluctuates spatially, preventing extraction of temperature-gradient induced concentration profile. The present work demonstrates a strategy to tackle this problem by superimposing snapshots of nanoparticle distribution. The resulting image is suitable for the extraction of the Soret coefficient through the conventional data fitting method. The strategy is first tested through a discrete phase model that illustrates the spatial fluctuation of the nanoparticle concentration in a dilute suspension in response to the temperature gradient. By superimposing snapshots of the stochastic distribution, a thermophoretic depletion profile with low standard error is constructed, indicative of the Soret coefficient. Next, confocal analysis of nanoparticle distribution in response to a temperature gradient is performed using polystyrene nanobeads down to 1e-5% (v/v). The experimental results also reveal that superimposing enhances the accuracy of extracted Soret coefficient. The critical particle number density in the superimposed image for predicting the Soret coefficient is hypothesized to depend on the spatial resolution of the image. This study also demonstrates that the discrete phase model is an effective tool to study particle migration under thermophoresis in the liquid phase. PMID:25221433

  15. Modeling the adsorption of PAH mixture in silica nanopores by molecular dynamic simulation combined with machine learning.

    PubMed

    Sui, Hong; Li, Lin; Zhu, Xinzhe; Chen, Daoyi; Wu, Guozhong

    2016-02-01

    The persistence of polycyclic aromatic hydrocarbons (PAHs) in contaminated soils is largely controlled by their molecular fate in soil pores. The adsorption and diffusion of 16 PAHs mixture in silica nanopore with diameter of 2.0, 2.5, 3.0 and 3.5 nm, respectively, were characterized by adsorption energy, mean square displacement, free surface area and free volume fraction using molecular dynamic (MD) simulation. Results suggested that PAHs adsorption in silica nanopores was associated with diffusion process while competitive sorption was not the dominant mechanism in context of this study. The partial least squares (PLS) regression and machine learning (ML) methods (i.e. support vector regression, M5 decision tree and multilayer perceptrons) were used to correlate the adsorption energy with the pore diameter and PAH properties (number of carbon atoms, aromatic ring number, boiling point, molecular weight, octanol-water partition coefficient, octanol-organic carbon partition coefficient, solvent accessible area, solvent accessible volume and polarization). Results indicated that the PAH adsorption could not be predicted by linear regression as the R(2)Y and Q(2)Y coefficients of PLS analysis was 0.375 and 0.199, respectively. The nonlinearity was well recognized by ML with correlation coefficient up to 0.9. Overall, the combination of MD simulation and ML approaches can assist in interpreting the sequestration of organic contaminants in the soil nanopores.

  16. Modeling the adsorption of PAH mixture in silica nanopores by molecular dynamic simulation combined with machine learning.

    PubMed

    Sui, Hong; Li, Lin; Zhu, Xinzhe; Chen, Daoyi; Wu, Guozhong

    2016-02-01

    The persistence of polycyclic aromatic hydrocarbons (PAHs) in contaminated soils is largely controlled by their molecular fate in soil pores. The adsorption and diffusion of 16 PAHs mixture in silica nanopore with diameter of 2.0, 2.5, 3.0 and 3.5 nm, respectively, were characterized by adsorption energy, mean square displacement, free surface area and free volume fraction using molecular dynamic (MD) simulation. Results suggested that PAHs adsorption in silica nanopores was associated with diffusion process while competitive sorption was not the dominant mechanism in context of this study. The partial least squares (PLS) regression and machine learning (ML) methods (i.e. support vector regression, M5 decision tree and multilayer perceptrons) were used to correlate the adsorption energy with the pore diameter and PAH properties (number of carbon atoms, aromatic ring number, boiling point, molecular weight, octanol-water partition coefficient, octanol-organic carbon partition coefficient, solvent accessible area, solvent accessible volume and polarization). Results indicated that the PAH adsorption could not be predicted by linear regression as the R(2)Y and Q(2)Y coefficients of PLS analysis was 0.375 and 0.199, respectively. The nonlinearity was well recognized by ML with correlation coefficient up to 0.9. Overall, the combination of MD simulation and ML approaches can assist in interpreting the sequestration of organic contaminants in the soil nanopores. PMID:26547031

  17. Scaling Dimensions of Nitrogen Adsorption Characteristics in Modulated Mesoporous Aluminophosphates

    PubMed

    Petrakis; Pasxalidis; Theocharis; Hudson; Pomonis

    1997-01-01

    Mesoporous alumina-aluminophosphates (MAAP) of the general formula Al100PXM20 (M = Al, Fe, Cr, and Ni and X = 0, 4.5, 9, 18, 36, 72, and 144) were tested for their pore size distribution by nitrogen adsorption. The distribution of pore size can be modified by the addition of phosphorus. The scaling or fractal dimensions (DS) of the adsorption characteristics in the pores, calculated from the plots of the log of the corresponding cumulative BJH desorption pores surface area versus the log of the corresponding pore size, indicate that for low values of P/P0, the adsorption proceeds in a two-dimensional manner, independently of the pore size distribution (p.s.d.). However, at high P/P0 values and narrow p.s.d. DS >/= 3, while at wide p.s.d. DS > 3. At medium P/P0 values the DS values obtained were found as high as 10 for narrow pore size distribution and decrease as the p.s.d. becomes wide by the addition of phosphorus. These phenomena are related to the supercritical condensation of nitrogen in the pores of MAAP.

  18. Note on Two Generalizations of Coefficient Alpha.

    ERIC Educational Resources Information Center

    Raju, Nambury S.

    1979-01-01

    An important relationship is given for two generalizations of coefficient alpha: (1) Rajaratnam, Cronbach, and Gleser's generalizability formula for stratified-parallel tests, and (2) Raju's coefficient beta. (Author/CTM)

  19. Multilayer adsorption by Monte Carlo simulation

    NASA Astrophysics Data System (ADS)

    Molina-Mateo, J.; Salmerón Sánchez, M.; Monleón Pradas, M.; Torregrosa Cabanilles, C.

    2012-10-01

    Adsorption phenomena are characterized by models that include free parameters trying to reproduce experimental results. In order to understand the relationship between the model parameters and the material properties, the adsorption of small molecules on a crystalline plane surface has been simulated using the bond fluctuation model. A direct comparison between the Guggenheim-Anderson-de Boer (GAB) model for multilayer adsorption and computer simulations allowed us to establish correlations between the adsorption model parameters and the simulated interaction potentials.

  20. Adsorption, Permeability, and Effective Stress in the Barnett Shale, Texas, USA

    NASA Astrophysics Data System (ADS)

    Vermylen, J. P.; Zoback, M. D.

    2010-12-01

    We have been carrying out adsorption and permeability experiments on Barnett shale core samples. For our adsorption work, we seek to understand how rock properties control gas adsorption and also to investigate the potential for carbon dioxide sequestration and enhanced recovery in gas shale rocks. Adsorption experiments have been conducted on crushed, dried Barnett samples using conventional Boyle’s law methods. Langmuir-like adsorption curves have been measured for nitrogen, methane, and carbon dioxide. At 5 MPa (725 psi), N2 adsorption ranges between 0.3-0.5 cc/g (10-17 scf/ton), CH4 adsorption ranges between 0.7-1.1 cc/g (25-40 scf/ton), and CO2 adsorption ranges between 2.5-3.5 cc/g (90-125 scf/ton). These results are consistent with previous analyses of Barnett shale samples and Appalachian shale samples of similar composition. We observe about 3x adsorption of CO2 over CH4 in the Barnett Shale, however, further research is required to investigate the potential for enhanced production of methane with CO2 in these rocks. Our permeability experiments are focused on building effective stress laws for gas shales and investigating the effects of different gases, both adsorbing and non-adsorbing, on permeability. Permeability experiments have been conducted on intact rock plugs using pulse-permeability and static darcy flow methods. We have measured permeabilities ranging from 1500 to 5 nanodarcies on intact samples, both 10x higher and 10x lower than the widely reported 100 nanodarcy average Barnett Shale intact matrix permeability. On a higher permeability shale sample with a carbonate streak, the effective stress coefficient for permeability was found to be 0.82, indicating a moderate impact of pore pressure on permeability. Work to characterize effective stress laws for the lowest permeability samples is ongoing, as is the effect of adsorbing gases on permeability in the Barnett shale.

  1. Conversion coefficients of the isomeric state in {sup 72}Br

    SciTech Connect

    Briz, J. A.; Borge, M. J. G.; Maira, A.; Perea, A.; Tengblad, O.; Agramunt, J.; Algora, A.; Estevez, E.; Nacher, E.; Rubio, B.; Fraile, L. M.; Deo, A.; Farrelly, G.; Gelletly, W.; Podolyak, Z.

    2010-04-26

    In order to determine the Gamow-Teller strength distribution for the N Z nucleus {sup 72}Kr an experiment was performed with a Total Absorption Gamma Spectrometer. To fully accomplish this task it is crucial to determine the multipolarity of the low energy transitions as the spin-parity of the daughter ground state has been debated. This is done by experimental determination of the conversion coefficients. Preliminary results for the multipolarity and conversion coefficients of the transition connecting the isomeric state at 101 keV with the {sup 72}Br ground state are presented.

  2. Removal of Arsenic from Drinking Water by Adsorption and Coagulation

    NASA Astrophysics Data System (ADS)

    Zhang, M.; Sugita, H.; Hara, J.; Takahashi, S.

    2013-12-01

    Removal of arsenic from drinking water has been an important issue worldwide, which has attracted greater attentions in recent years especially for supplying safe drinking water in developing countries. Although many kinds of treatment approaches that are available or applicable both in principle and practice, such as adsorption, coagulation, membrane filtration, ion exchange, biological process, electrocoagulation and so on, the first 2 approaches (i.e., adsorption and coagulation) are most promising due to the low-cost, high-efficiency, simplicity of treating systems, and thus can be practically used in developing countries. In this study, a literature survey on water quality in Bangladesh was performed to understand the ranges of arsenic concentration and pH of groundwater in Bangladesh. A series of tests were then organized and performed to investigate the effects of arsenic concentration, arsenic forms, pH, chemical compositions of the materials used for adsorption and coagulation, particle size distribution and treatment time on quality of treated water. The experimental results obtained in the study illustrated that both adsorption and coagulation can be used to effectively reduce the concentrations of either arsenic (V) or arsenic (III) from the contaminated water. Coagulation of arsenic with a magnesium-based material developed in this study can be very effective to remove arsenic, especially arsenic (V), from contaminated water with a concentration of 10 ppm to an undetectable level of 0.002 ppm by ICP analyses. Compared to arsenic (III), arsenic (V) is easier to be removed. The materials used for adsorption and coagulation in this study can remove arsenic (V) up to 9 mg/g and 6 mg/g, and arsenic (III) up to 4 mg/g and 3 mg/g, respectively, depending on test conditions and compositions of the materials being used. The control of pH during treatment can be a challenging technical issue for developing both adsorbent and coagulant. Keywords: Water Treatment

  3. ADSORPTIVE MEDIA TECHNOLOGIES: MEDIA SELECTION

    EPA Science Inventory

    The presentation provides information on six items to be considered when selecting an adsorptive media for removing arsenic from drinking water; performance, EBCT, pre-treatment, regeneration, residuals, and cost. Each item is discussed in general and data and photographs from th...

  4. ADSORPTION OF SURFACTANT ON CLAYS

    EPA Science Inventory

    Surfactants used to enhance remediation of soils by soil washing are often lost in the process. Neither the amount nor the cause of this loss is known. It is assumed that clays present in the soil are responsible for the loss of the surfactant. In this papere, adsorption prope...

  5. Isothermal Adsorption Measurement for the Development of High Performance Solid Sorption Cooling System

    NASA Astrophysics Data System (ADS)

    Saha, Bidyut Baran; Koyama, Shigeru; Alam, K. C. Amanul; Hamamoto, Yoshinori; Akisawa, Atsushi; Kashiwagi, Takao; Ng, Kim Choon; Chua, Hui Tong

    Interest in low-grade thermal heat powered solid sorption system using natural refrigerants has been increased. However, the drawbacks of these adsorption systems are their poor performance. The objective of this paper is to improve the performance of thermally powered adsorption cooling system by selecting new adsorbent-refrigerant pairs. Adsorption capacity of adsorbent-refrigerant pair depends on the thermophysical properties (pore size, pore volume and pore diameter) of adsorbent and isothermal characteristics of the adsorbent-refrigerant pair. In this paper, the thermophysical properties of three types of silica gels and three types of pitch based activated carbon fibers are determined from the nitrogen adsorption isotherms. The standard nitrogen gas adsorption/desorption measurements on various adsorbents at liquid nitrogen of temperature 77.4 K were performed. Surface area of each adsorbent was determined by the Brunauer, Emmett and Teller (BET) plot of nitrogen adsorption data. Pore size distribution was measured by the Horvath and Kawazoe (HK) method. Adsorption/desorption isotherm results showed that all three carbon fibers have no hysteresis and had better adsorption capacity in comparison with those of silica gels.

  6. Adsorption of SO2 on bituminous coal char and activated carbon fiber

    USGS Publications Warehouse

    DeBarr, Joseph A.; Lizzio, Anthony A.; Daley, Michael A.

    1997-01-01

    The SO2 adsorption behaviors of activated carbons produced from Illinois coal and of commercially prepared activated carbon fibers (ACFs) were compared. There was no relation between surface area of coal-based carbons and SO2 adsorption, whereas adsorption of SO2 on the series of ACFs was inversely proportional to N2 BET surface area. Higher surface area ACFs had wider pores and adsorbed less SO2; thus, pore size distribution is thought to play a significant role in SO2 adsorption for these materials. Oxidation with HNO3 and/or H2SO4, followed by heat treatment at 700−925°C to remove carbon−oxygen complexes, resulted in increased SO2 adsorption for both coal chars and ACFs. This behavior was explained by an increase in the available number of free sites, previously occupied by oxygen and now available for SO2 adsorption. The use of nitrogen-containing functional groups on ACFs of proper pore size shows promise for further increasing SO2 adsorption capacities. Knowledge of the relationship among the number of free sites, pore size, and surface chemistry on corresponding SO2 adsorption should lead to the development of more efficient adsorbents prepared from either coal or ACFs.

  7. Membrane fouling propensity after adsorption as pretreatment in rainwater: a detailed organic characterisation.

    PubMed

    Sabina, L; Kus, B; Shon, H-K; Kandasamy, J

    2008-01-01

    Organic characterisation in rainwater was investigated in terms of dissolved organic carbon (DOC) and molecular weight distribution (MWD) after powdered activated carbon (PAC) adsorption. PAC adsorption was used as pretreatment to membrane filtration to reduce membrane fouling. The MW of organic matter in rainwater used in this study was in the range of 43,000 Da to 30 Da. Each peak of organic matter consisted of biopolymers (polysaccharides and proteins), humic and fulvic acids, building blocks, low MW acids (hydrolysates of humic substances), low MW neutrals and amphiphilics. Rainwater contained the majority of hydrophilic compounds up to 72%. PAC adsorption removed 33% of total DOC. The removal efficiencies of the hydrophobic and hydrophilic fractions after PAC adsorption were 50% and 27%, respectively. PAC adsorption was found to preferentially remove the hydrophobic fraction. The majority of the smaller MW of 1,100 Da, 820 Da, 550 Da, 90 Da and 30 Da was removed after PAC adsorption. The MFI values decreased from 1,436 s/L2 to 147 s/L2 after PAC adsorption. It was concluded that PAC adsorption can be used as a pretreatment to membrane filtration with rainwater.

  8. Soccer Ball Lift Coefficients via Trajectory Analysis

    ERIC Educational Resources Information Center

    Goff, John Eric; Carre, Matt J.

    2010-01-01

    We performed experiments in which a soccer ball was launched from a machine while two high-speed cameras recorded portions of the trajectory. Using the trajectory data and published drag coefficients, we extracted lift coefficients for a soccer ball. We determined lift coefficients for a wide range of spin parameters, including several spin…

  9. M-Bonomial Coefficients and Their Identities

    ERIC Educational Resources Information Center

    Asiru, Muniru A.

    2010-01-01

    In this note, we introduce M-bonomial coefficients or (M-bonacci binomial coefficients). These are similar to the binomial and the Fibonomial (or Fibonacci-binomial) coefficients and can be displayed in a triangle similar to Pascal's triangle from which some identities become obvious.

  10. Note on Methodology: The Coefficient of Variation.

    ERIC Educational Resources Information Center

    Sheret, Michael

    1984-01-01

    Addresses applications of the coefficient of variation as a measure of educational inequality or as a means of measuring changes of inequality status. Suggests the Gini coefficient has many advantages over the coefficient of variation since it can be used with the Lorenz curve (Lorenz provides detail Gini omits). (BRR)

  11. Is the G Index a Correlation Coefficient?

    ERIC Educational Resources Information Center

    Vegelius, Jan

    1980-01-01

    One argument against the G index is that, unlike phi, it is not a correlation coefficient; yet, G conforms to the Kendall and E-coefficient definitions. The G index is also equal to the Pearson product moment correlation coefficient obtained from double scoring. (Author/CP)

  12. Standards for Standardized Logistic Regression Coefficients

    ERIC Educational Resources Information Center

    Menard, Scott

    2011-01-01

    Standardized coefficients in logistic regression analysis have the same utility as standardized coefficients in linear regression analysis. Although there has been no consensus on the best way to construct standardized logistic regression coefficients, there is now sufficient evidence to suggest a single best approach to the construction of a…

  13. The application of moment analysis to the dynamic adsorption of radon by activated carbon

    NASA Astrophysics Data System (ADS)

    Gaul, Wayne C.

    The adsorption of radon by activated carbon has received a great deal of attention within the academic press because of the importance of determining the radon concentration in the living environment. The deposition of energy from 222Rn decay and the daughter products of 222Rn is considered significant probable cause agent for lung cancer in the general population. Therefore, study of the adsorption by activated carbon has focused on the ability to determine radon concentrations under static conditions. The adsorption of radon under dynamic conditions, from moving air, has not been studied adequately to determine the underlying properties associated with this phenomenon. No method of determining the properties associated with dynamic has been developed. This research has provided a method to accurately determine the attributes that control radon adsorption from moving air at two different temperatures. The characteristics of several common activated carbons were determined and correlated to current theories. Changes in carrier gas velocity were shown to affect the mass transfer characteristics which are represented by the van Deemter equation used in gas chromatography. The methodology can be used to determine specific parameters of gas adsorption from the experimental data and include; (1) the coefficient for axial dispersion (2) the tortuosity factor, and (3) the intraparticle diffusion coefficient. These parameters affect changes in the number of theoretical plates and the height equivalent of a theoretical plate which are related to interparticle and intraparticle diffusion along with resistance to mass transfer.

  14. Equilibrium and Kinetic Adsorption of Bacteria on Alluvial Sand and Surface Thermodynamic Interpretation

    SciTech Connect

    Chen, Gang; Rockhold, Mark L.; Strevett, Keith A.

    2003-05-15

    Equilibrium and kinetic adsorption of Escherichia coli HB 101, E. coli JM 109, Pseudomonas fluorescens, Pseudomonas putida and Pseudomonas sp. on alluvial sand from the Canadian River alluvium (Norman, OK) was investigated through column experiments. Equilibrium adsorption of these five bacterial strains followed the Freundlich expression and was a function of zero energy points, an indication of the zero energy buffer zone. Among the microorganisms studied, P. putida had the greatest equilibrium adsorption (162.4 x 108 cell/g sediment with a microbial injectate concentration of 108 cell/mL), followed by Pseudomonas sp. (127.9 x 108 cell/g sediment), E. coli HB 101 (62.8 x 108 cell/g sediment), E. coli JM 109 (58.4 x 108 cell/g sediment), and P. fluorescens (42.6 x 108 cell/g sediment). The first-order kinetic adsorption rate coefficient was an exponential function of the total interaction free energy between bacteria and sediment evaluated at the primary minimum, (PM). E. coli HB 101 had the greatest kinetic adsorption rate coefficient on the sediment (5.10 h-1), followed by E. coli JM 109 (4.52 h-1), P. fluorescens (2.12 h-1), P. putida (2.04 h-1), and Pseudomonas sp. (1.34 h-1).

  15. Arsenic removal from real-life groundwater by adsorption on laterite soil.

    PubMed

    Maji, Sanjoy Kumar; Pal, Anjali; Pal, Tarasankar

    2008-03-01

    The adsorption characteristics of arsenic on laterite soil, a low-cost natural adsorbent, were studied in the laboratory scale using real-life sample. The studies were conducted by both batch and continuous mode. Laterite soil was found to be an efficient adsorbent for arsenic removal from the groundwater collected from arsenic affected area. The initial concentration of arsenic in the sample was 0.33 ppm. Under optimized conditions the laterite soil could remove up to 98% of total arsenic. The optimum adsorbent dose was 20 g/l and the equilibrium time was 30 min. Isotherm studies showed that the process is favorable and spontaneous. The kinetics showed that the removal of arsenic by laterite soil is a pseudo-second-order reaction. In the column study the flow rate was maintained at 1.49 m3/(m2 h). Using 10 cm column depth, the breakthrough and exhaust time found were 6.75 h and 19.0 h, respectively. Height of adsorption zone was 9.85 cm, the rate at which the adsorption zone was moving through the bed was 0.80 cm/h, and the percentage of the total column saturated at breakthrough was 47.12%. The value of adsorption rate coefficient (K) and the adsorption capacity coefficient (N) were 1.21 l/(mgh) and 69.22 mg/l, respectively. Aqueous NaOH (1 M) could regenerate the adsorbent, and the regenerated adsorbent showed higher efficiency. PMID:17658682

  16. Arsenic removal from real-life groundwater by adsorption on laterite soil.

    PubMed

    Maji, Sanjoy Kumar; Pal, Anjali; Pal, Tarasankar

    2008-03-01

    The adsorption characteristics of arsenic on laterite soil, a low-cost natural adsorbent, were studied in the laboratory scale using real-life sample. The studies were conducted by both batch and continuous mode. Laterite soil was found to be an efficient adsorbent for arsenic removal from the groundwater collected from arsenic affected area. The initial concentration of arsenic in the sample was 0.33 ppm. Under optimized conditions the laterite soil could remove up to 98% of total arsenic. The optimum adsorbent dose was 20 g/l and the equilibrium time was 30 min. Isotherm studies showed that the process is favorable and spontaneous. The kinetics showed that the removal of arsenic by laterite soil is a pseudo-second-order reaction. In the column study the flow rate was maintained at 1.49 m3/(m2 h). Using 10 cm column depth, the breakthrough and exhaust time found were 6.75 h and 19.0 h, respectively. Height of adsorption zone was 9.85 cm, the rate at which the adsorption zone was moving through the bed was 0.80 cm/h, and the percentage of the total column saturated at breakthrough was 47.12%. The value of adsorption rate coefficient (K) and the adsorption capacity coefficient (N) were 1.21 l/(mgh) and 69.22 mg/l, respectively. Aqueous NaOH (1 M) could regenerate the adsorbent, and the regenerated adsorbent showed higher efficiency.

  17. Adsorption of fulvic acid on goethite

    SciTech Connect

    Filius, J.D.; Lumsdon, D.G.; Meeussen, J.C.L.; Hiemstra, T.; Riemsduk, W.H. van

    2000-01-01

    The adsorption of fulvic acid by goethite was determined experimentally as a function of concentration, pH, and ionic strength. The data were described with the CD-MUSIC model of Hiemstra and Van Riemsdijk (1996), which allows the distribution of charge of the bound fulvate molecule over a surface region. Simultaneously, the concentration, pH, and salt dependency of the binding of fulvic acid can be described. Using the same parameters, the basic charging behavior of the goethite in the absence of fulvic acid could be described well. The surface species used in the model indicate that inner sphere coordination of carboxylic groups of the fulvate molecule is important at low pH, whereas at high pH the outer sphere coordination with reactive groups of the fulvate molecule with high proton affinity is important.

  18. Equilibrium and kinetic modeling of adsorptive sulfur removal from gasoline by synthesized Ce-Y zeolite

    NASA Astrophysics Data System (ADS)

    Montazerolghaem, Maryam; Rahimi, Amir; Seyedeyn-Azad, Fakhry

    2010-11-01

    In this research, the adsorption of a model sulfur compound, thiophene, from a simulated gasoline onto Ce-Y zeolite in pellet and powder forms was investigated. For this purpose, zeolite Na-Y was synthesized, and Ce-Y zeolite was prepared via solid-state ion-exchanged (SSIE) method. Adsorptive desulfurization of model gasoline was conducted in a batch reactor at ambient conditions to evaluate the equilibrium and kinetics of thiophene adsorption onto Ce-Y zeolite. The equilibrium data were fitted to Langmuire and Toth models. Pseudo-n-order and modified n-order models, LDF-base model, and intra-particle diffusion model were evaluated to fit the kinetic of the adsorption process and to determine the mechanism of it. The corresponding parameters and/or correlation coefficients of each model were reported. The LDF-base model was used also to fit the mass transfer coefficient for both powder and pellet forms of the adsorbent. The best fit estimates for the mass transfer coefficient were obtained 4 × 10-11 m/s and k = 3.1 × 10-12[exp( - t/τ) + 1/(t + 10-4)], for powder and pellet form adsorbents, respectively.

  19. [Adsorption of Cu on Core-shell Structured Magnetic Particles: Relationship Between Adsorption Performance and Surface Properties].

    PubMed

    Li, Qiu-mei; Chen, Jing; Li, Hai-ning; Zhang, Xiao-lei; Zhang, Gao-sheng

    2015-12-01

    In order to reveal the relationship between the adsorption performance of adsorbents and their compositions, structure, and surface properties, the core-shell structured Fe₃O₄/MnO2 and Fe-Mn/Mn₂2 magnetic particles were systematically characterized using multiple techniques and their Cu adsorption behaviors as well as mechanism were also investigated in details. It was found that both Fe₃O4 and Fe-Mn had spinel structure and no obvious crystalline phase change was observed after coating with MnO₂. The introduction of Mn might improve the affinity between the core and the shell, and therefore enhanced the amount and distribution uniformity of the MnO₂ coated. Consequently, Fe-Mn/MnO₂ exhibited a higher BET specific surface area and a lower isoelectric point. The results of sorption experiments showed that Fe-Mn had a higher maximal Cu adsorption capacity of 33.7 mg · g⁻¹ at pH 5.5, compared with 17.5 mg · g⁻¹ of Fe₃O4. After coating, the maximal adsorption capacity of Fe-Mn/MnO₂ was increased to 58.2 mg · g⁻¹, which was 2.6 times as high as that of Fe₃O₄/MnO₂ and outperformed the majority of magnetic adsorbents reported in literature. In addition, a specific adsorption of Cu occurred at the surface of Fe₃O₄/MnO₂ or Fe-Mn/MnO₂ through the formation of inner-sphere complexes. In conclusion, the adsorption performance of the magnetic particles was positively related to their compositions, structure, and surface properties. PMID:27011990

  20. [Adsorption of Cu on Core-shell Structured Magnetic Particles: Relationship Between Adsorption Performance and Surface Properties].

    PubMed

    Li, Qiu-mei; Chen, Jing; Li, Hai-ning; Zhang, Xiao-lei; Zhang, Gao-sheng

    2015-12-01

    In order to reveal the relationship between the adsorption performance of adsorbents and their compositions, structure, and surface properties, the core-shell structured Fe₃O₄/MnO2 and Fe-Mn/Mn₂2 magnetic particles were systematically characterized using multiple techniques and their Cu adsorption behaviors as well as mechanism were also investigated in details. It was found that both Fe₃O4 and Fe-Mn had spinel structure and no obvious crystalline phase change was observed after coating with MnO₂. The introduction of Mn might improve the affinity between the core and the shell, and therefore enhanced the amount and distribution uniformity of the MnO₂ coated. Consequently, Fe-Mn/MnO₂ exhibited a higher BET specific surface area and a lower isoelectric point. The results of sorption experiments showed that Fe-Mn had a higher maximal Cu adsorption capacity of 33.7 mg · g⁻¹ at pH 5.5, compared with 17.5 mg · g⁻¹ of Fe₃O4. After coating, the maximal adsorption capacity of Fe-Mn/MnO₂ was increased to 58.2 mg · g⁻¹, which was 2.6 times as high as that of Fe₃O₄/MnO₂ and outperformed the majority of magnetic adsorbents reported in literature. In addition, a specific adsorption of Cu occurred at the surface of Fe₃O₄/MnO₂ or Fe-Mn/MnO₂ through the formation of inner-sphere complexes. In conclusion, the adsorption performance of the magnetic particles was positively related to their compositions, structure, and surface properties.

  1. Adsorption characteristics of metal ions on chitosan chemically modified by D-galactose

    SciTech Connect

    Kondo, Kazuo; Sumi, Hisaharu; Matsumoto, Michiaki

    1996-07-01

    The adsorption characteristics of metal ions on chitosan chemically modified by D-galactose were examined. The pH dependency on the distribution ratio was found to be affected by the valency of the metal ion, and the apparent adsorption equilibrium constants of the metal ions were determined. The order of adsorption of the metal ions is Ga > In > Nd > Eu for the trivalent metal ions and Cu > Ni > Co for the divalent metal ions. It is believed that amino and hydroxyl groups in the chitosan act as a chelating ligand.

  2. From single molecules to water networks: Dynamics of water adsorption on Pt(111)

    NASA Astrophysics Data System (ADS)

    Naderian, Maryam; Groß, Axel

    2016-09-01

    The adsorption dynamics of water on Pt(111) was studied using ab initio molecular dynamics simulations based on density functional theory calculations including dispersion corrections. Sticking probabilities were derived as a function of initial kinetic energy and water coverage. In addition, the energy distribution upon adsorption was monitored in order to analyze the energy dissipation process. We find that on the water pre-covered surface the sticking probability is enhanced because of the attractive water-water interaction and the additional effective energy dissipation channels to the adsorbed water molecules. The water structures forming directly after the adsorption on the pre-covered surfaces do not necessarily correspond to energy minimum structures.

  3. Deformation of Microporous Carbons during N2, Ar, and CO2 Adsorption: Insight from the Density Functional Theory.

    PubMed

    Balzer, Christian; Cimino, Richard T; Gor, Gennady Y; Neimark, Alexander V; Reichenauer, Gudrun

    2016-08-16

    Using the nonlocal density functional theory, we investigate adsorption of N2 (77 K), Ar (77 K), and CO2 (273 K) and respective adsorption-induced deformation of microporous carbons. We show that the smallest micropores comparable in size and even smaller than the nominal molecular diameter of the adsorbate contribute significantly to the development of the adsorption stress. While pores of approximately the nominal adsorbate diameter exhibit no adsorption stress regardless of their filling level, the smaller pores cause expansive adsorption stresses up to almost 4 GPa. Accounting for this effect, we determined the pore-size distribution of a synthetic microporous carbon by simultaneously fitting its experimental CO2 adsorption isotherm (273 K) and corresponding adsorption-induced strain measured by in situ dilatometry. Based on the pore-size distribution and the elastic modulus fitted from CO2 data, we predicted the sample's strain isotherms during N2 and Ar adsorption (77 K), which were found to be in reasonable agreement with respective experimental data. The comparison of calculations and experimental results suggests that adsorption-induced deformation caused by micropores is not limited to the low relative pressures typically associated with the micropore filling, but is effective over the whole relative pressure range up to saturation pressure. PMID:27420036

  4. Adsorptive removal of methylene blue by rhamnolipid-functionalized graphene oxide from wastewater.

    PubMed

    Wu, Zhibin; Zhong, Hua; Yuan, Xingzhong; Wang, Hou; Wang, Lele; Chen, Xiaohong; Zeng, Guangming; Wu, Yan

    2014-12-15

    In this article, a rhamnolipid-functionalized graphene oxide (RL-GO) hybrid was prepared by one-step ultrasonication and adsorptive removal of methylene blue (MB) from both artificial and real wastewater by the RL-GO was investigated. The Scanning electron microscopy (SEM), Transmission electron microscopy (TEM), Fourier transform infrared spectrum (FT-IR), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Brunauer-Emmett-Teller (BET) area and Zeta potential analysis were used to characterize the adsorbent. The results showed that RL-GO had abundant functional groups and a mesopores feature. MB adsorption by the RL-GO increased with increase in adsorbent dose, pH, temperature and initial MB concentration, while it was insensitive to ionic strength variation. The adsorption kinetics fitted well to the pseudo-second-order model with correlation coefficients greater than 0.999. The Intra-particle diffusion and Boyd's film-diffusion models showed that the rate-controlled step was dominated by film-diffusion in the beginning and then followed by intra-particle diffusion. The adsorption isotherm was fitted by adsorption models with the suitability in order of BET > Freundlich > Langmuir > Temkin, based on comparison between correlation coefficients. Thermodynamic analysis of equilibriums suggested that the adsorption MB on RL-GO was spontaneous and endothermic. The adsorption mechanism was also proposed to be electrostatic attraction, π-π interaction and hydrogen bond. In addition, the real wastewater experiment, the regeneration study and the comparative cost analysis showed that the RL-GO composites could be a cost-effective and promising sorbent for MB wastewater treatment owing to its high efficiency and excellent reusability.

  5. Adsorptive removal of methylene blue by rhamnolipid-functionalized graphene oxide from wastewater.

    PubMed

    Wu, Zhibin; Zhong, Hua; Yuan, Xingzhong; Wang, Hou; Wang, Lele; Chen, Xiaohong; Zeng, Guangming; Wu, Yan

    2014-12-15

    In this article, a rhamnolipid-functionalized graphene oxide (RL-GO) hybrid was prepared by one-step ultrasonication and adsorptive removal of methylene blue (MB) from both artificial and real wastewater by the RL-GO was investigated. The Scanning electron microscopy (SEM), Transmission electron microscopy (TEM), Fourier transform infrared spectrum (FT-IR), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Brunauer-Emmett-Teller (BET) area and Zeta potential analysis were used to characterize the adsorbent. The results showed that RL-GO had abundant functional groups and a mesopores feature. MB adsorption by the RL-GO increased with increase in adsorbent dose, pH, temperature and initial MB concentration, while it was insensitive to ionic strength variation. The adsorption kinetics fitted well to the pseudo-second-order model with correlation coefficients greater than 0.999. The Intra-particle diffusion and Boyd's film-diffusion models showed that the rate-controlled step was dominated by film-diffusion in the beginning and then followed by intra-particle diffusion. The adsorption isotherm was fitted by adsorption models with the suitability in order of BET > Freundlich > Langmuir > Temkin, based on comparison between correlation coefficients. Thermodynamic analysis of equilibriums suggested that the adsorption MB on RL-GO was spontaneous and endothermic. The adsorption mechanism was also proposed to be electrostatic attraction, π-π interaction and hydrogen bond. In addition, the real wastewater experiment, the regeneration study and the comparative cost analysis showed that the RL-GO composites could be a cost-effective and promising sorbent for MB wastewater treatment owing to its high efficiency and excellent reusability. PMID:25314573

  6. Adsorption studies of chromium (VI) removal from water by lanthanum diethanolamine hybrid material.

    PubMed

    Mandal, Sandip; Sahu, Manoj Kumar; Giri, Anil Kumar; Patel, Raj Kishore

    2014-01-01

    In the present research work, lanthanum diethanolamine hybrid material is synthesized by co-precipitation method and used for the removal of Cr(VI) from synthetic dichromate solution and hand pump water sample. The sorption experiments were carried out in batch mode to optimize various influencing parameters such as adsorbent dose, contact time, pH, competitive anions and temperature. The characterization of the material and mechanism of Cr(VI) adsorption on the material was studied by using scanning electron microscope, Fourier transform infrared, X-ray diffraction, Brunauer-Emmett-Teller and thermogravimetric analysis-differential thermal analysis. Adsorption kinetics studies reveal that the adsorption process followed first-order kinetics and intraparticle diffusion model with correlation coefficients (R2) of 0.96 and 0.97, respectively. The adsorption data were best fitted to linearly transformed Langmuir isotherm with correlation coefficient (R2) of 0.997. The maximum removal of Cr(VI) is found to be 99.31% at optimal condition: pH = 5.6 of the solution, adsorbent dose of 8 g L(-1) with initial concentration of 10mgL(-1) of Cr(VI) solution and an equilibrium time of 50 min. The maximum adsorption capacity of the material is 357.1 mg g(-1). Thermodynamic parameters were evaluated to study the effect of temperature on the removal process. The study shows that the adsorption process is feasible and endothermic in nature. The value of E (260.6 kJ mol(-1)) indicates the chemisorption nature of the adsorption process. The material is difficult to be regenerated. The above studies indicate that the hybrid material is capable of removing Cr(VI) from water. PMID:24645464

  7. Kinetics of adsorption of uranium from seawater by humic acids

    SciTech Connect

    Heitkamp, D. ); Wagener, K. )

    1990-04-01

    The kinetics of the adsorption of uranium from seawater by humic acids fixed onto a polymer matrix was measured in a fluidized bed as a function of the grain size of the adsorbent and the flow velocity of the seawater. The adsorption rate was found to be governed by the diffusion of the uranium ions through the hydrodynamic surface layer of the adsorbent which is always formed in laminar flows of liquids. The measured rate constants are interpreted in terms of effective diffusion coefficients of 3.6 {times} 10{sup {minus}5} cm{sup 2}/s for uranyl ions and 1.8 {times} 10{sup {minus}5} cm{sup 2}/s for tricarbonatouranate ions in the surface layer. As a consequence of this kinetic behavior, the geometry of the adsorbent as well as the velocity of the water flow are relevant parameters for the amount of adsorbent needed for a projected extraction rate. This conclusion applies to all adsorption processes where diffusion through the hydrodynamic layer is the rate-determining kinetic step.

  8. The determination of longitudinal dispersion coefficients in rivers.

    PubMed

    Palancar, María C; Aragón, José M; Sánchez, Fernando; Gil, Roberto

    2003-01-01

    The dispersion coefficient of several sections of two Spanish rivers (Tagus and Ebro) is calculated using different methods. The aim of the study is to accurately know the effects of accidental leaks from two nuclear power plants that are placed upstream. Experimental data from tracer injections as well as data from hydraulic parameters were used to calculate the dispersion coefficient. Two methods based on tracer curves fit the experimental data well. One method is based on the time at which the tracer concentration is half the maximum concentration; the other method is based on the variance of the tracer curve distribution. An alternative method based on governmental data of velocity profiles and correlations of hydraulic parameters was also used. The results of this method are strongly sensitive to small variations in the stream flowrate. A new correlation is proposed to predict the dispersion coefficient with an error smaller than the one provided by other correlations in the literature.

  9. The determination of longitudinal dispersion coefficients in rivers.

    PubMed

    Palancar, María C; Aragón, José M; Sánchez, Fernando; Gil, Roberto

    2003-01-01

    The dispersion coefficient of several sections of two Spanish rivers (Tagus and Ebro) is calculated using different methods. The aim of the study is to accurately know the effects of accidental leaks from two nuclear power plants that are placed upstream. Experimental data from tracer injections as well as data from hydraulic parameters were used to calculate the dispersion coefficient. Two methods based on tracer curves fit the experimental data well. One method is based on the time at which the tracer concentration is half the maximum concentration; the other method is based on the variance of the tracer curve distribution. An alternative method based on governmental data of velocity profiles and correlations of hydraulic parameters was also used. The results of this method are strongly sensitive to small variations in the stream flowrate. A new correlation is proposed to predict the dispersion coefficient with an error smaller than the one provided by other correlations in the literature. PMID:12934826

  10. An infrared spectroscopic characterization of the coordinative adsorption of carbon monoxide on TiO 2

    NASA Astrophysics Data System (ADS)

    Morterra, C.; Garrone, E.; Bolis, V.; Fubini, B.

    The Lewis coordinative adsorption of CO on some TiO 2 preparations was investigated by means of i.r. spectroscopy, gas volumetric dosing, and microcalorimetry. The adsorbed amounts, the number of i.r. bands formed and their spectral position were found to depend on the preparation route and on the presence of doping agents. Correlation plots are proposed between the extinction coefficients of CO bands and their frequency, as well as between CO frequencies and adsorption heats, and the present data are compared with data in the literature. The limits of applicability of the Beer-Lambert law to heterogeneous and scattering systems are discussed.

  11. Determination of the equilibrium, kinetic and thermodynamic parameters of adsorption of copper(II) ions onto seeds of Capsicum annuum.

    PubMed

    Ozcan, Adnan; Ozcan, A Safa; Tunali, Sibel; Akar, Tamer; Kiran, Ismail

    2005-09-30

    Adsorption of copper ions onto Capsicum annuum (red pepper) seeds was investigated with the variation in the parameters of pH, contact time, adsorbent and copper(II) concentrations and temperature. The nature of the possible adsorbent and metal ion interactions was examined by the FTIR technique. The copper(II) adsorption equilibrium was attained within 60 min. Adsorption of copper(II) ions onto C. annuum seeds followed by the Langmuir, Freundlich and Dubinin-Radushkevich (D-R) isotherm models. Maximum adsorption capacity (q(max)) of copper(II) ions onto red pepper seeds was 4.47x10(-4) molg(-1) at 50 degrees C. Three kinetic models including the pseudo-first-order, pseudo-second-order and intraparticle diffusion equations were selected to follow the adsorption process. Kinetic parameters such as rate constants, equilibrium adsorption capacities and related correlation coefficients, for each kinetic model were calculated and discussed. It was indicated that the adsorption of copper(II) ions onto C. annuum seeds could be described by the pseudo-second-order kinetic model and also followed the intraparticle diffusion model up to 60 min, but diffusion is not only the rate controlling step. Thermodynamics parameters such as the change of free energy, enthalpy and entropy were also evaluated for the adsorption of copper(II) ions onto C. annuum seeds.

  12. Selective adsorption of uranium(VI) from aqueous solutions using the ion-imprinted magnetic chitosan resins.

    PubMed

    Zhou, Limin; Shang, Chao; Liu, Zhirong; Huang, Guolin; Adesina, Adesoji A

    2012-01-15

    The ion-imprinted magnetic chitosan resins (IMCR) prepared using U(VI) as a template and glutaraldehyde as a cross-linker showed higher adsorption capacity and selectivity for the U(VI) ions compared with the non-imprinted magnetic chitosan resins (NIMCR) without a template. The results showed that the adsorption of U(VI) on the magnetic chitosan resins was affected by the initial pH value, the initial U(VI) concentration, as well as the temperature. Both kinetics and thermodynamic parameters of the adsorption process were estimated. These data indicated an exothermic spontaneous adsorption process that kinetically followed the second-order adsorption process. Equilibrium experiments were fitted in Langmuir, Freundlich, and Dubinin-Radushkevich adsorption isotherm models to show very good fits with the Langmuir isotherm equation for the monolayer adsorption process. The monolayer adsorption capacity values of 187.26 mg/g for IMCR and 160.77 mg/g for NIMCR were very close to the maximum capacity values obtained at pH 5.0, temperature 298 K, adsorbent dose 50 mg, and contact time 3 h. The selectivity coefficient of uranyl ions and other metal ions on IMCR indicated an overall preference for uranyl ions. Furthermore, the IMCR could be regenerated through the desorption of the U(VI) ions using 0.5 M HNO(3) solution and could be reused to adsorb again.

  13. Lattice Boltzmann simulation of the gas-solid adsorption process in reconstructed random porous media.

    PubMed

    Zhou, L; Qu, Z G; Ding, T; Miao, J Y

    2016-04-01

    The gas-solid adsorption process in reconstructed random porous media is numerically studied with the lattice Boltzmann (LB) method at the pore scale with consideration of interparticle, interfacial, and intraparticle mass transfer performances. Adsorbent structures are reconstructed in two dimensions by employing the quartet structure generation set approach. To implement boundary conditions accurately, all the porous interfacial nodes are recognized and classified into 14 types using a proposed universal program called the boundary recognition and classification program. The multiple-relaxation-time LB model and single-relaxation-time LB model are adopted to simulate flow and mass transport, respectively. The interparticle, interfacial, and intraparticle mass transfer capacities are evaluated with the permeability factor and interparticle transfer coefficient, Langmuir adsorption kinetics, and the solid diffusion model, respectively. Adsorption processes are performed in two groups of adsorbent media with different porosities and particle sizes. External and internal mass transfer resistances govern the adsorption system. A large porosity leads to an early time for adsorption equilibrium because of the controlling factor of external resistance. External and internal resistances are dominant at small and large particle sizes, respectively. Particle size, under which the total resistance is minimum, ranges from 3 to 7 μm with the preset parameters. Pore-scale simulation clearly explains the effect of both external and internal mass transfer resistances. The present paper provides both theoretical and practical guidance for the design and optimization of adsorption systems. PMID:27176384

  14. Characteristics and kinetics of phosphate adsorption on dewatered ferric-alum residuals.

    PubMed

    Wang, Changhui; Guo, Wei; Tian, Binghui; Pei, Yuansheng; Zhang, Kejiang

    2011-01-01

    The characteristics and kinetics of phosphate (P) adsorption on dewatered ferric-alum water treatment residuals (Fe-Al-WTRs) have been investigated. The existence of both aluminum (Al) and iron (Fe) in the residuals can result in significantly high P adsorption capacities. The P adsorption kinetics of Fe-Al-WTRs exhibited an initial rapid phase, followed by a slower phase. This could be described by three models, including a pseudo-first-order equation, a pseudo-second-order equation, and a double-constant rate equation. The latter was especially good for those runs with initial P concentrations of 500 and 1000 mg L(-1). Both the Langmuir and Freundlich isotherms fit the experimental data well, particularly the Freundlich isotherm, which had a correlation coefficient of 0.9930. The maximum measured P adsorption capacity of Fe-Al-WTRs was 45.42 mg g(-1), which is high when compared to those of most WTRs, as well as other reported adsorbents. The results also show that the P adsorption is a spontaneous endothermic process. Highest P adsorption capacities of Fe-Al-WTRs were measured at low pHs and a particle size range of 0.6 to 0.9 mm.

  15. Adsorption of Procion Red MX 8B using spent tea leaves as adsorbent

    NASA Astrophysics Data System (ADS)

    Heraldy, Eddy; Osa, Riesta Ramdhaniyati; Suryanti, Venty

    2016-02-01

    The adsorption of Procion Red MX 8B using spent tea leaves (STL) as adsorbent, has been studied by batch adsorption technique. The adsorbent was activated by NaOH 4% for 24 hours for delignification process. The adsorbent was characterized using FTIR to indetify the functional groups of cellulose was shown by uptake -OH, C-H and C-O. The optimum conditions of adsorption experiments were achieved when pH was set as 6 with contact time of 75 minutes and capacity of adsorption was 3.28 mg/g. The equilibrium data were fitted to Langmuir and Isotherm Freundlichs. The kinetic models, pseudo first order and pseudo second order were employed to describe the adsorption mechanism. The experimental results showed that the pseudo second order equation was the best model that described the adsorption behavior with the coefficient of correlation (R2) was equal higher than 0.99 The results suggested that STL had high potential to be used as effective adsorbent for Procion Red MX 8B removal.

  16. Adsorption characteristics of selected hydrophilic and hydrophobic micropollutants in water using activated carbon.

    PubMed

    Nam, Seung-Woo; Choi, Dae-Jin; Kim, Seung-Kyu; Her, Namguk; Zoh, Kyung-Duk

    2014-04-15

    In this study, we investigated adsorption characteristics of nine selected micropollutants (six pharmaceuticals, two pesticides, and one endocrine disruptor) in water using an activated carbon. The effects of carbon dosage, contact time, pH, DOM (dissolved organic matter), and temperature on the adsorption removal of micropollutants were examined. Increasing carbon dosage and contact time enhanced the removal of micropollutants. Sorption coefficients of hydrophilic compounds (caffeine, acetaminophen, sulfamethoxazole, and sulfamethazine) fit a linear isotherm and hydrophobic compounds (naproxen, diclofenac, 2, 4-D, triclocarban, and atrazine) fit a Freundlich isotherm. The removal of hydrophobic pollutants and caffeine were independent of pH changes, but acetaminophen, sulfamethazine, and sulfamethoxazole were adsorbed by mainly electrostatic interaction with activated carbon and so were affected by pH. The decrease in adsorption removal in surface water samples was observed and this decrease was more significant for hydrophobic than hydrophilic compounds. The decline in the adsorption capacity in surface water samples is caused by the competitive inhibition of DOM with micropollutants onto activated carbon. Low temperature (5°C) also decreased the adsorption removal of micropollutants, and affected hydrophobic compounds more than hydrophilic compounds. The results obtained in this study can be applied to optimize the adsorption capacities of micropollutants using activated carbon in water treatment process.

  17. Lattice Boltzmann simulation of the gas-solid adsorption process in reconstructed random porous media

    NASA Astrophysics Data System (ADS)

    Zhou, L.; Qu, Z. G.; Ding, T.; Miao, J. Y.

    2016-04-01

    The gas-solid adsorption process in reconstructed random porous media is numerically studied with the lattice Boltzmann (LB) method at the pore scale with consideration of interparticle, interfacial, and intraparticle mass transfer performances. Adsorbent structures are reconstructed in two dimensions by employing the quartet structure generation set approach. To implement boundary conditions accurately, all the porous interfacial nodes are recognized and classified into 14 types using a proposed universal program called the boundary recognition and classification program. The multiple-relaxation-time LB model and single-relaxation-time LB model are adopted to simulate flow and mass transport, respectively. The interparticle, interfacial, and intraparticle mass transfer capacities are evaluated with the permeability factor and interparticle transfer coefficient, Langmuir adsorption kinetics, and the solid diffusion model, respectively. Adsorption processes are performed in two groups of adsorbent media with different porosities and particle sizes. External and internal mass transfer resistances govern the adsorption system. A large porosity leads to an early time for adsorption equilibrium because of the controlling factor of external resistance. External and internal resistances are dominant at small and large particle sizes, respectively. Particle size, under which the total resistance is minimum, ranges from 3 to 7 μm with the preset parameters. Pore-scale simulation clearly explains the effect of both external and internal mass transfer resistances. The present paper provides both theoretical and practical guidance for the design and optimization of adsorption systems.

  18. Equilibrium and kinetic analysis of CO2-N2 adsorption separation by concentration pulse chromatography.

    PubMed

    Li, Peiyuan; Tezel, F Handan

    2007-09-01

    CO2 and N(2) adsorption kinetics and equilibrium behaviours have been studied with silicalite, NaY and 13X by using concentration pulse chromatography for the separation of these gases in the present study. Adsorption Henry's Law constants, the heat of adsorption values, micropore diffusion coefficients and corresponding activation energies are determined experimentally and the three different mass transfer mechanisms are discussed. From the equilibrium data, the corresponding separation factors are obtained for the adsorption separation processes. The heat of adsorption values as well as the Henry's Law adsorption equilibrium constants of CO(2) are much higher than those of N(2) for all the adsorbents studied. 13X, NaY and silicalite all have good separation factors for CO(2)/N(2) system based on equilibrium processes. The order of the equilibrium separation factors is 13X (Ceca)>13X (Zeochem)>NaY (UOP)>silicalite (UOP). Equilibrium selectivity favours CO(2) over N(2). Micropore diffusion resistance is the definite dominant mass transfer mechanism for CO(2) with silicalite and NaY.

  19. Adsorptive removal of antibiotics from water and wastewater: Progress and challenges.

    PubMed

    Ahmed, Mohammad Boshir; Zhou, John L; Ngo, Huu Hao; Guo, Wenshan

    2015-11-01

    Antibiotics as emerging contaminants are of global concern due to the development of antibiotic resistant genes potentially causing superbugs. Current wastewater treatment technology cannot sufficiently remove antibiotics from sewage, hence new and low-cost technology is needed. Adsorptive materials have been extensively used for the conditioning, remediation and removal of inorganic and organic hazardous materials, although their application for removing antibiotics has been reported for ~30 out of 250 antibiotics so far. The literature on the adsorptive removal of antibiotics using different adsorptive materials is summarized and critically reviewed, by comparing different adsorbents with varying physicochemical characteristics. The efficiency for removing antibiotics from water and wastewater by different adsorbents has been evaluated by examining their adsorption coefficient (Kd) values. For sulfamethoxazole the different adsorbents followed the trend: biochar (BC)> multi-walled carbon nanotubes (MWCNTs)>graphite = clay minerals, and for tetracycline the adsorptive materials followed the trend: SWCNT > graphite > MWCNT = activated carbon (AC) > bentonite = humic substance = clay minerals. The underlying controlling parameters for the adsorption technology have been examined. In addition, the cost of preparing adsorbents has been estimated, which followed the order of BCs < ACs < ion exchange resins < MWCNTs < SWCNTs. The future research challenges on process integration, production and modification of low-cost adsorbents are elaborated.

  20. Effects of composition and structure of alginates on adsorption of divalent metals

    NASA Astrophysics Data System (ADS)

    Nai-Yu, Zheng; Yan-Xia, Zhang; Xiao, Fan; Li-Jun, Han

    1994-03-01

    Results of a series of experiments (on the adsorption of divalent metal ions by dried alginic acid, Na and Ca alginates of different composition and block structure) conducted in this systematic study of the effects of the composition and structure of alginates on the static adsorption equilibrium of divalent metal ions indicate that the properties of alginate adsorption to divalent metal ions are highly different, depending not only on the cations used, but also on the form and structure of the alginates. There is close correlation between the adsorption properties and the structure of the alginates. The selectivity coefficient of Na alginate for Cd-Sr ion exchange tends to increase with the increase of the M/G ratio in alginate, whereas the adsorption capacity of Ca alginate for Cu2+ ion decrease with the increase of the G-block or the average length of the G-block(bar N_G ) and the total adsorption capacity of alginic acid is found to vary in the same order as the F MM(diad frequency) in alginate in the mixed solution of Sr2+, Ba2+ and Cd2+.