Science.gov

Sample records for ozonation-biological coupled processes

  1. Ozone-biological activated carbon as a pretreatment process for reverse osmosis brine treatment and recovery.

    PubMed

    Lee, Lai Yoke; Ng, How Yong; Ong, Say Leong; Hu, Jiang Yong; Tao, Guihe; Kekre, Kiran; Viswanath, Balakrishnan; Lay, Winson; Seah, Harry

    2009-09-01

    Ozonation was used in this study to improve biodegradability of RO brine from water reclamation facilities. An ozone dosage ranging from 3 to 10 mg O(3)/L and contact times of 10 and 20 min in batch studies were found to increase the biodegradability (BOD(5)/TOC ratio) of the RO brine by 1.8-3.5 times. At the same time, total organic carbon (TOC) removal was in the range of 5.3-24.5%. The lab-scale ozone-biological activated carbon (BAC) at an ozone dosage of 6.0mg O(3)/L with 20-min contact time was able to achieve 3 times higher TOC removal compared to using BAC alone. Further processing with Capacitive Deionization (CDI) process was able to generate a product water with better water quality than the RO feed water, i.e., with more than 80% ions removal and a lower TOC concentration. The ozone-BAC pretreatment has the potential of reducing fouling in the CDI process. PMID:19580984

  2. Ozone-biological activated carbon as a pretreatment process for reverse osmosis brine treatment and recovery.

    PubMed

    Lee, Lai Yoke; Ng, How Yong; Ong, Say Leong; Hu, Jiang Yong; Tao, Guihe; Kekre, Kiran; Viswanath, Balakrishnan; Lay, Winson; Seah, Harry

    2009-09-01

    Ozonation was used in this study to improve biodegradability of RO brine from water reclamation facilities. An ozone dosage ranging from 3 to 10 mg O(3)/L and contact times of 10 and 20 min in batch studies were found to increase the biodegradability (BOD(5)/TOC ratio) of the RO brine by 1.8-3.5 times. At the same time, total organic carbon (TOC) removal was in the range of 5.3-24.5%. The lab-scale ozone-biological activated carbon (BAC) at an ozone dosage of 6.0mg O(3)/L with 20-min contact time was able to achieve 3 times higher TOC removal compared to using BAC alone. Further processing with Capacitive Deionization (CDI) process was able to generate a product water with better water quality than the RO feed water, i.e., with more than 80% ions removal and a lower TOC concentration. The ozone-BAC pretreatment has the potential of reducing fouling in the CDI process.

  3. Treatment of waste metalworking fluid by a hybrid ozone-biological process.

    PubMed

    Jagadevan, Sheeja; Graham, Nigel J; Thompson, Ian P

    2013-01-15

    In metal machining processes, the regulation of heat generation and lubrication at the contact point are achieved by application of a fluid referred to as metalworking fluid (MWF). MWFs inevitably become operationally exhausted with age and intensive use, which leads to compromised properties, thereby necessitating their safe disposal. Disposal of this waste through a biological route is an increasingly attractive option, since it is effective with relatively low energy demands. However, successful biological treatment is challenging since MWFs are chemically complex, and include biocides specifically to retard microbial deterioration whilst the fluids are operational. In this study remediation of the recalcitrant component of a semi-synthetic MWF by a novel hybrid ozone-bacteriological treatment, was investigated. The hybrid treatment proved to be effective and reduced the chemical oxygen demand by 72% (26.9% and 44.9% reduction after ozonation and biological oxidation respectively). Furthermore, a near-complete degradation of three non-biodegradable compounds (viz. benzotriazole, monoethanolamine, triethanolamine), commonly added as biocides and corrosion inhibitors in MWF formulations, under ozonation was observed. PMID:23274939

  4. Application of integrated ozone biological aerated filters and membrane filtration in water reuse of textile effluents.

    PubMed

    He, Yaozhong; Wang, Xiaojun; Xu, Jinling; Yan, Jinli; Ge, Qilong; Gu, Xiaoyang; Jian, Lei

    2013-04-01

    A combined process including integrated ozone-BAFs (ozone biological aerated filters) and membrane filtration was first applied for recycling textile effluents in a cotton textile mill with capacity of 5000 m(3)/d. Influent COD (chemical oxygen demand) in the range of 82-120 mg/L, BOD5 (5-day biochemical oxygen demand) of 12.6-23.1 mg/L, suspended solids (SSs) of 38-52 mg/L and color of 32-64° were observed during operation. Outflows with COD≤45 mg/L, BOD5≤7.6 mg/L, SS≤15 mg/L, color≤8° were obtained after being decontaminated by ozone-BAF with ozone dosage of 20-25 mg/L. Besides, the average removal rates of PVA (polyvinyl alcohol) and UV254 were 100% and 73.4% respectively. Permeate water produced by RO (reverse osmosis) could be reused in dyeing and finishing processes, while the RO concentrates could be discharged directly under local regulations with COD≤100 mg/L, BOD5≤21 mg/L, SS≤52 mg/L, color≤32°. Results showed that the combined process could guarantee water reuse with high quality, and solve the problem of RO concentrate disposal.

  5. Textiles wastewater treatment using anoxic filter bed and biological wriggle bed-ozone biological aerated filter.

    PubMed

    Fu, Zhimin; Zhang, Yugao; Wang, Xiaojun

    2011-02-01

    In this study, the performance of the anoxic filter bed and biological wriggle bed-ozone biological aerated filter (AFB-BWB-O(3)-BAF) process treating real textile dyeing wastewater was investigated. After more than 2 month process operation, the average effluent COD concentration of the AFB, BWB, O(3)-BAF were 704.8 mg/L, 294.6 mg/L and 128.8 mg/L, with HRT being 8.1-7.7h, 9.2h and 5.45 h, respectively. Results showed that the effluent COD concentration of the AFB decreased with new carriers added and the average removal COD efficiency was 20.2%. During operation conditions, HRT of the BWB and O(3)-BAF was increased, resulting in a decrease in the effluent COD concentration. However, on increasing the HRT, the COD reduction capability expressed by the unit carrier COD removal loading of the BWB reactor increased, while that of the O(3)-BAF reactor decreased. This study is a beneficial attempt to utilize the AFB-BWB-O(3)-BAF combine process for textile wastewater treatment.

  6. Hydromechanical coupling in geologic processes

    USGS Publications Warehouse

    Neuzil, C.E.

    2003-01-01

    Earth's porous crust and the fluids within it are intimately linked through their mechanical effects on each other. This paper presents an overview of such "hydromechanical" coupling and examines current understanding of its role in geologic processes. An outline of the theory of hydromechanics and rheological models for geologic deformation is included to place various analytical approaches in proper context and to provide an introduction to this broad topic for nonspecialists. Effects of hydromechanical coupling are ubiquitous in geology, and can be local and short-lived or regional and very long-lived. Phenomena such as deposition and erosion, tectonism, seismicity, earth tides, and barometric loading produce strains that tend to alter fluid pressure. Resulting pressure perturbations can be dramatic, and many so-called "anomalous" pressures appear to have been created in this manner. The effects of fluid pressure on crustal mechanics are also profound. Geologic media deform and fail largely in response to effective stress, or total stress minus fluid pressure. As a result, fluid pressures control compaction, decompaction, and other types of deformation, as well as jointing, shear failure, and shear slippage, including events that generate earthquakes. By controlling deformation and failure, fluid pressures also regulate states of stress in the upper crust. Advances in the last 80 years, including theories of consolidation, transient groundwater flow, and poroelasticity, have been synthesized into a reasonably complete conceptual framework for understanding and describing hydromechanical coupling. Full coupling in two or three dimensions is described using force balance equations for deformation coupled with a mass conservation equation for fluid flow. Fully coupled analyses allow hypothesis testing and conceptual model development. However, rigorous application of full coupling is often difficult because (1) the rheological behavior of geologic media is complex

  7. Coping Processes of Couples Experiencing Infertility

    ERIC Educational Resources Information Center

    Peterson, Brennan D.; Newton, Christopher R.; Rosen, Karen H.; Schulman, Robert S.

    2006-01-01

    This study explored the coping processes of couples experiencing infertility. Participants included 420 couples referred for advanced reproductive treatments. Couples were divided into groups based on the frequency of their use of eight coping strategies. Findings suggest that coping processes, which are beneficial to individuals, may be…

  8. Earthquake-Ionosphere Coupling Processes

    NASA Astrophysics Data System (ADS)

    Kamogawa, Masashi

    an ionospheric phenomenon attributed to tsunami, termed tsunamigenic ionospheric hole (TIH) [Kakinami and Kamogwa et al., GRL, 2012]. After the TEC depression accompanying a monoperiodic variation with approximately 4-minute period as an acoustic resonance between the ionosphere and the solid earth, the TIH gradually recovered. In addition, geomagnetic pulsations with the periods of 150, 180 and 210 seconds were observed on the ground in Japan approximately 5 minutes after the mainshock. Since the variation with the period of 180 seconds was simultaneously detected at the magnetic conjugate of points of Japan, namely Australia, field aligned currents along the magnetic field line were excited. The field aligned currents might be excited due to E and F region dynamo current caused by acoustic waves originating from the tsunami. This result implies that a large earthquake generates seismogenic field aligned currents. Furthermore, monoperiodical geomagnetic oscillation pointing to the epicenter of which velocity corresponds to Rayleigh waves occurs. This may occur due to seismogenic arc-current in E region. Removing such magnetic oscillations from the observed data, clear tsunami dynamo effect was found. This result implies that a large EQ generates seismogenic field aligned currents, seismogenic arc-current and tsunami dynamo current which disturb geomagnetic field. Thus, we found the complex coupling process between a large EQ and an ionosphere from the results of Tohoku EQ.

  9. Induction coupled thermomagnetic processing: A disruptive technology

    DOE PAGESBeta

    Ahmad, Aquil; Mackiewicz-Ludtka, Gail; Pfaffmann, George; Ludtka, Gerard Michael

    2016-06-01

    Here, one of the major goals of the U.S. Department of Energy (DoE) is to achieve energy savings with a corresponding reduction in the carbon footprint. With this in mind, the DoE sponsored the Induction Coupled Thermomagnetic Processing (ITMP) project with major partners Eaton Corp., Ajax Tocco Magnethermic, and Oak Ridge National Laboratory (ORNL) to evaluate the viability of processing metals in a strong magnetic field.

  10. Coupled transport processes in semipermeable media

    SciTech Connect

    Jacobsen, J.S.; Carnahan, C.L.

    1990-04-01

    A numerical simulator has been developed to investigate the effects of coupled processes on heat and mass transport in semipermeable media. The governing equations on which the simulator is based were derived using the thermodynamics of irreversible processes. The equations are nonlinear and have been solved numerically using the n-dimensional Newton's method. As an example of an application, the numerical simulator has been used to investigate heat and solute transport in the vicinity of a heat source buried in a saturated clay-like medium, in part to study solute transport in bentonite packing material surrounding a nuclear waste canister. The coupled processes considered were thermal filtration, thermal osmosis, chemical osmosis and ultrafiltration. In the simulations, heat transport by coupled processes was negligible compared to heat conduction, but pressure and solute migration were affected. Solute migration was retarded relative to the uncoupled case when only chemical osmosis was considered. When both chemical osmosis and thermal osmosis were included, solute migration was enhanced. 18 refs., 20 figs.

  11. Modeling of Inner Magnetosphere Coupling Processes

    NASA Technical Reports Server (NTRS)

    Khazanov, George V.

    2011-01-01

    The Ring Current (RC) is the biggest energy player in the inner magnetosphere. It is the source of free energy for Electromagnetic Ion Cyclotron (EMIC) wave excitation provided by a temperature anisotropy of RC ions, which develops naturally during inward E B convection from the plasmasheet. The cold plasmasphere, which is under the strong influence of the magnetospheric electric field, strongly mediates the RC-EMIC wave-particle-coupling process and ultimately becomes part of the particle and energy interplay. On the other hand, there is a strong influence of the RC on the inner magnetospheric electric and magnetic field configurations and these configurations, in turn, are important to RC dynamics. Therefore, one of the biggest needs for inner magnetospheric research is the continued progression toward a coupled, interconnected system with the inclusion of nonlinear feedback mechanisms between the plasma populations, the electric and magnetic fields, and plasma waves. As we clearly demonstrated in our studies, EMIC waves strongly interact with electrons and ions of energies ranging from approx.1 eV to approx.10 MeV, and that these waves strongly affect the dynamics of resonant RC ions, thermal electrons and ions, and the outer RB relativistic electrons. As we found, the rate of ion and electron scattering/heating in the Earth's magnetosphere is not only controlled by the wave intensity-spatial-temporal distribution but also strongly depends on the spectral distribution of the wave power. The latter is also a function of the plasmaspheric heavy ion content, and the plasma density and temperature distributions along the magnetic field lines. The above discussion places RC-EMIC wave coupling dynamics in context with inner magnetospheric coupling processes and, ultimately, relates RC studies with plasmaspheric and Superthermal Electrons formation processes as well as with outer RB physics.

  12. Coupled transport processes in semipermeable media

    SciTech Connect

    Carnahan, C.L.; Jacobsen, J.S.

    1990-04-01

    The thermodynamics of irreversible processes (TTIP) is used to derive governing equations and phenomenological equations for transport processes and chemical reactions in water-saturated semipermeable media. TTIP is based on three fundamental postulates. The first postulate, the assumption of local equilibrium, allows the formulation of balance equations for entropy. These equations are the bases for the derivation of governing equations for the thermodynamic variables, temperature, pressure, and composition. The governing equations involve vector fluxes of heat and mass and scalar rates of chemical reactions; in accordance with the second postulate of TTIP, these fluxes and rates are related, respectively, to all scalar driving forces (gradients of thermodynamic variables) acting within the system. The third postulate of TTIP states equality (the Onsager reciprocal relations) between certain of the phenomenological coefficients relating forces and fluxes. The description by TTIP of a system undergoing irreversible processes allows consideration of coupled transport processes such as thermal osmosis, chemical osmosis, and ultrafiltration. The coupled processes can make significant contributions to flows of mass and energy in slightly permeable, permselective geological materials such as clays and shales.

  13. Correlation resonance generated by coupled enzymatic processing.

    PubMed

    Mather, William H; Cookson, Natalie A; Hasty, Jeff; Tsimring, Lev S; Williams, Ruth J

    2010-11-17

    A major challenge for systems biology is to deduce the molecular interactions that underlie correlations observed between concentrations of different intracellular molecules. Although direct explanations such as coupled transcription or direct protein-protein interactions are often considered, potential indirect sources of coupling have received much less attention. Here we show how correlations can arise generically from a posttranslational coupling mechanism involving the processing of multiple protein species by a common enzyme. By observing a connection between a stochastic model and a multiclass queue, we obtain a closed form expression for the steady-state distribution of the numbers of molecules of each protein species. Upon deriving explicit analytic expressions for moments and correlations associated with this distribution, we discover a striking phenomenon that we call correlation resonance: for small dilution rate, correlations peak near the balance-point where the total rate of influx of proteins into the system is equal to the maximum processing capacity of the enzyme. Given the limited number of many important catalytic molecules, our results may lead to new insights into the origin of correlated behavior on a global scale.

  14. Synthesis report on thermally driven coupled processes

    SciTech Connect

    Hardin, E.L.

    1997-10-15

    The main purpose of this report is to document observations and data on thermally coupled processes for conditions that are expected to occur within and around a repository at Yucca Mountain. Some attempt is made to summarize values of properties (e.g., thermal properties, hydrologic properties) that can be measured in the laboratory on intact samples of the rock matrix. Variation of these properties with temperature, or with conditions likely to be encountered at elevated temperature in the host rock, is of particular interest. However, the main emphasis of this report is on direct observation of thermally coupled processes at various scales. Direct phenomenological observations are vitally important in developing and testing conceptual models. If the mathematical implementation of a conceptual model predicts a consequence that is not observed, either (1) the parameters or the boundary conditions used in the calculation are incorrect or (2) the conceptual basis of the model does not fit the experiment; in either case, the model must be revised. For example, the effective continuum model that has been used in thermohydrology studies combines matrix and fracture flow in a way that is equivalent to an assumption that water is imbibed instantaneously from fractures into adjacent, partially saturated matrix. Based on this approximation, the continuum-flow response that is analogous to fracture flow will not occur until the effective continuum is almost completely saturated. This approximation is not entirely consistent with some of the experimental data presented in this report. This report documents laboratory work and field studies undertaken in FY96 and FY97 to investigate thermally coupled processes such as heat pipes and fracture-matrix coupling. In addition, relevant activities from past years, and work undertaken outside the Yucca Mountain project are summarized and discussed. Natural and artificial analogs are also discussed to provide a convenient source of

  15. Abstraction of Drift-Scale Coupled Processes

    SciTech Connect

    N.D. Francis; D. Sassani

    2000-03-31

    This Analysis/Model Report (AMR) describes an abstraction, for the performance assessment total system model, of the near-field host rock water chemistry and gas-phase composition. It also provides an abstracted process model analysis of potentially important differences in the thermal hydrologic (TH) variables used to describe the performance of a geologic repository obtained from models that include fully coupled reactive transport with thermal hydrology and those that include thermal hydrology alone. Specifically, the motivation of the process-level model comparison between fully coupled thermal-hydrologic-chemical (THC) and thermal-hydrologic-only (TH-only) is to provide the necessary justification as to why the in-drift thermodynamic environment and the near-field host rock percolation flux, the essential TH variables used to describe the performance of a geologic repository, can be obtained using a TH-only model and applied directly into a TSPA abstraction without recourse to a fully coupled reactive transport model. Abstraction as used in the context of this AMR refers to an extraction of essential data or information from the process-level model. The abstraction analysis reproduces and bounds the results of the underlying detailed process-level model. The primary purpose of this AMR is to abstract the results of the fully-coupled, THC model (CRWMS M&O 2000a) for effects on water and gas-phase composition adjacent to the drift wall (in the near-field host rock). It is assumed that drift wall fracture water and gas compositions may enter the emplacement drift before, during, and after the heating period. The heating period includes both the preclosure, in which the repository drifts are ventilated, and the postclosure periods, with backfill and drip shield emplacement at the time of repository closure. Although the preclosure period (50 years) is included in the process models, the postclosure performance assessment starts at the end of this initial period

  16. Coupling Processes Between Atmospheric Chemistry and Climate

    NASA Technical Reports Server (NTRS)

    Ko, M. K. W.; Weisenstein, Debra; Shia, Run-Lie; Sze, N. D.

    1998-01-01

    The overall objective of this project is to improve the understanding of coupling processes between atmospheric chemistry and climate. Model predictions of the future distributions of trace gases in the atmosphere constitute an important component of the input necessary for quantitative assessments of global change. We will concentrate on the changes in ozone and stratospheric sulfate aerosol, with emphasis on how ozone in the lower stratosphere would respond to natural or anthropogenic changes. The key modeling tools for this work are the AER two-dimensional chemistry-transport model, the AER two-dimensional stratospheric sulfate model, and the AER three-wave interactive model with full chemistry. We will continue developing our three-wave model so that we can help NASA determine the strength and weakness of the next generation assessment models.

  17. Coupling Processes Between Atmospheric Chemistry and Climate

    NASA Technical Reports Server (NTRS)

    Ko, Malcolm K. W.; Weisenstein, Debra; Shia, Run-Lie; Sze, N. D.

    1998-01-01

    The overall objective of this project is to improve the understanding of coupling processes between atmospheric chemistry and climate. Model predictions of the future distributions of trace gases in the atmosphere constitute an important component of the input necessary for quantitative assessments of global change. We will concentrate on the changes in ozone and stratospheric sulfate aerosol, with emphasis on how ozone in the lower stratosphere would respond to natural or anthropogenic changes. The key modeling tools for this work are the AER 2-dimensional chemistry-transport model, the AER 2-dimensional stratospheric sulfate model, and the AER three-wave interactive model with full chemistry. We will continue developing our three-wave model so that we can help NASA determine the strength and weakness of the next generation assessment models.

  18. Coupling Processes Between Atmospheric Chemistry and Climate

    NASA Technical Reports Server (NTRS)

    Ko, Malcolm K. W.; Weisenstein, Debra; Rodriguez, Jose; Danilin, Michael; Scott, Courtney; Shia, Run-Lie; Eluszkiewicz, Junusz; Sze, Nien-Dak

    1999-01-01

    This is the final report. The overall objective of this project is to improve the understanding of coupling processes among atmospheric chemistry, aerosol and climate, all important for quantitative assessments of global change. Among our priority are changes in ozone and stratospheric sulfate aerosol, with emphasis on how ozone in the lower stratosphere would respond to natural or anthropogenic changes. The work emphasizes two important aspects: (1) AER's continued participation in preparation of, and providing scientific input for, various scientific reports connected with assessment of stratospheric ozone and climate. These include participation in various model intercomparison exercises as well as preparation of national and international reports. and (2) Continued development of the AER three-wave interactive model to address how the transport circulation will change as ozone and the thermal properties of the atmosphere change, and assess how these new findings will affect our confidence in the ozone assessment results.

  19. Coupling Processes between Atmospheric Chemistry and Climate

    NASA Technical Reports Server (NTRS)

    Ko, M. K. W.; Weisenstein, Debra; Shia, Run-Lie; Sze, N. D.

    1998-01-01

    This is the third semi-annual report for NAS5-97039, covering January through June 1998. The overall objective of this project is to improve the understanding of coupling processes between atmospheric chemistry and climate. Model predictions of the future distributions of trace gases in the atmosphere constitute an important component of the input necessary for quantitative assessments of global change. We will concentrate on the changes in ozone and stratospheric sulfate aerosol, with emphasis on how ozone in the lower stratosphere would respond to natural or anthropogenic changes. The key modeling for this work are the AER 2-dimensional chemistry-transport model, the AER 2-dimensional stratospheric sulfate model, and the AER three-wave interactive model with full chemistry. We will continue developing our three-wave model so that we can help NASA determine the strengths and weaknesses of the next generation assessment models.

  20. Processes of Change in Self-Directed Couple Relationship Education

    ERIC Educational Resources Information Center

    Wilson, Keithia L.; Halford, W. Kim

    2008-01-01

    The current study examined the learning processes involved in professionally supported self-directed couple relationship education (CRE). Fifty-nine couples completed Couple CARE, a systematic, self-directed CRE program designed in flexible delivery mode to be completed at home. Couples watched a DVD introducing key relationship ideas and skills…

  1. Coupling Processes Between Atmospheric Chemistry and Climate

    NASA Technical Reports Server (NTRS)

    Ko, Malcolm; Weisenstein, Debra; Rodriquez, Jose; Danilin, Michael; Scott, Courtney; Shia, Run-Lie; Eluszkiewicz, Janusz; Sze, Nien-Dak; Stewart, Richard W. (Technical Monitor)

    1999-01-01

    This is the final report for NAS5-97039 for work performed between December 1996 and November 1999. The overall objective of this project is to improve the understanding of coupling processes among atmospheric chemistry, aerosol and climate, all important for quantitative assessments of global change. Among our priority are changes in ozone and stratospheric sulfate aerosol, with emphasis on how ozone in the lower stratosphere would respond to natural or anthropogenic changes. The work emphasizes two important aspects: (1) AER's continued participation in preparation of, and providing scientific input for, various scientific reports connected with assessment of stratospheric ozone and climate. These include participation in various model intercomparison exercises as well as preparation of national and international reports. (2) Continued development of the AER three-wave interactive model to address how the transport circulation will change as ozone and the thermal properties of the atmosphere change, and assess how these new findings will affect our confidence in the ozone assessment results.

  2. Coupling Processes between Atmospheric Chemistry and Climate

    NASA Technical Reports Server (NTRS)

    Ko, Malcolm K. W.; Weisenstein, Debra K.; Shia, Run-Lie; Scott, Courtney J.; Sze, Nien Dak

    1998-01-01

    This is the fourth semi-annual report for NAS5-97039, covering the time period July through December 1998. The overall objective of this project is to improve the understanding of coupling processes between atmospheric chemistry and climate. Model predictions of the future distributions of trace gases in the atmosphere constitute an important component of the input necessary for quantitative assessments of global change. We will concentrate on the changes in ozone and stratospheric sulfate aerosol, with emphasis on how ozone in the lower stratosphere would respond to natural or anthropogenic changes. The key modeling tools for this work are the Atmospheric and Environmental Research (AER) two-dimensional chemistry-transport model, the AER two-dimensional stratospheric sulfate model, and the AER three-wave interactive model with full chemistry. For this six month period, we report on a modeling study of new rate constant which modify the NOx/NOy ratio in the lower stratosphere; sensitivity to changes in stratospheric water vapor in the future atmosphere; a study of N2O and CH4 observations which has allowed us to adjust diffusion in the 2-D CTM in order to obtain appropriate polar vortex isolation; a study of SF6 and age of air with comparisons of models and measurements; and a report on the Models and Measurements II effort.

  3. Coupling Processes Between Atmospheric Chemistry and Climate

    NASA Technical Reports Server (NTRS)

    Ko, M. K. W.; Weisenstein, Debra; Shia, Run-Li; Sze, N. D.

    1997-01-01

    This is the first semi-annual report for NAS5-97039 summarizing work performed for January 1997 through June 1997. Work in this project is related to NAS1-20666, also funded by NASA ACMAP. The work funded in this project also benefits from work at AER associated with the AER three-dimensional isentropic transport model funded by NASA AEAP and the AER two-dimensional climate-chemistry model (co-funded by Department of Energy). The overall objective of this project is to improve the understanding of coupling processes between atmospheric chemistry and climate. Model predictions of the future distributions of trace gases in the atmosphere constitute an important component of the input necessary for quantitative assessments of global change. We will concentrate on the changes in ozone and stratospheric sulfate aerosol, with emphasis on how ozone in the lower stratosphere would respond to natural or anthropogenic changes. The key modeling tools for this work are the AER two-dimensional chemistry-transport model, the AER two-dimensional stratospheric sulfate model, and the AER three-wave interactive model with full chemistry.

  4. Coupling entropy of co-processing model on social networks

    NASA Astrophysics Data System (ADS)

    Zhang, Zhanli

    2015-08-01

    Coupling entropy of co-processing model on social networks is investigated in this paper. As one crucial factor to determine the processing ability of nodes, the information flow with potential time lag is modeled by co-processing diffusion which couples the continuous time processing and the discrete diffusing dynamics. Exact results on master equation and stationary state are achieved to disclose the formation. In order to understand the evolution of the co-processing and design the optimal routing strategy according to the maximal entropic diffusion on networks, we propose the coupling entropy comprehending the structural characteristics and information propagation on social network. Based on the analysis of the co-processing model, we analyze the coupling impact of the structural factor and information propagating factor on the coupling entropy, where the analytical results fit well with the numerical ones on scale-free social networks.

  5. Fostering new relational experience: clinical process in couple psychotherapy.

    PubMed

    Marmarosh, Cheri L

    2014-03-01

    One of the most critical goals for couple psychotherapy is to foster a new relational experience in the session where the couple feels safe enough to reveal more vulnerable emotions and to explore their defensive withdrawal, aggressive attacking, or blaming. The lived intimate experience in the session offers the couple an opportunity to gain integrative insight into their feelings, expectations, and behaviors that ultimately hinder intimacy. The clinical processes that are necessary include empathizing with the couple and facilitating safety within the session, looking for opportunities to explore emotions, ruptures, and unconscious motivations that maintain distance in the relationship, and creating a new relational experience in the session that has the potential to engender integrative insight. These clinical processes will be presented with empirical support. Experts from a session will be used to highlight how these processes influence the couple and promote increased intimacy. (PsycINFO Database Record (c) 2014 APA, all rights reserved). PMID:24059733

  6. Thermodynamically coupled mass transport processes in a saturated clay

    SciTech Connect

    Carnahan, C.L.

    1984-11-01

    Gradients of temperature, pressure, and fluid composition in saturated clays give rise to coupled transport processes (thermal and chemical osmosis, thermal diffusion, ultrafiltration) in addition to the direct processes (advection and diffusion). One-dimensional transport of water and a solute in a saturated clay subjected to mild gradients of temperature and pressure was simulated numerically. When full coupling was accounted for, volume flux (specific discharge) was controlled by thermal osmosis and chemical osmosis. The two coupled fluxes were oppositely directed, producing a point of stagnation within the clay column. Solute flows were dominated by diffusion, chemical osmosis, and thermal osmosis. Chemical osmosis produced a significant flux of solute directed against the gradient of solute concentration; this effect reduced solute concentrations relative to the case without coupling. Predictions of mass transport in clays at nuclear waste repositories could be significantly in error if coupled transport processes are not accounted for. 14 references, 8 figures, 1 table.

  7. Process for fabricating a charge coupled device

    DOEpatents

    Conder, Alan D.; Young, Bruce K. F.

    2002-01-01

    A monolithic three dimensional charged coupled device (3D-CCD) which utilizes the entire bulk of the semiconductor for charge generation, storage, and transfer. The 3D-CCD provides a vast improvement of current CCD architectures that use only the surface of the semiconductor substrate. The 3D-CCD is capable of developing a strong E-field throughout the depth of the semiconductor by using deep (buried) parallel (bulk) electrodes in the substrate material. Using backside illumination, the 3D-CCD architecture enables a single device to image photon energies from the visible, to the ultra-violet and soft x-ray, and out to higher energy x-rays of 30 keV and beyond. The buried or bulk electrodes are electrically connected to the surface electrodes, and an E-field parallel to the surface is established with the pixel in which the bulk electrodes are located. This E-field attracts charge to the bulk electrodes independent of depth and confines it within the pixel in which it is generated. Charge diffusion is greatly reduced because the E-field is strong due to the proximity of the bulk electrodes.

  8. Solar terrestrial coupling through space plasma processes

    SciTech Connect

    Birn, J.

    2000-12-01

    This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The project investigates plasma processes that govern the interaction between the solar wind, charged particles ejected from the sun, and the earth's magnetosphere, the region above the ionosphere governed by the terrestrial magnetic field. Primary regions of interest are the regions where different plasma populations interact with each other. These are regions of particularly dynamic plasma behavior, associated with magnetic flux and energy transfer and dynamic energy release. The investigations concerned charged particle transport and energization, and microscopic and macroscopic instabilities in the magnetosphere and adjacent regions. The approaches combined space data analysis with theory and computer simulations.

  9. Dissociative identity disorder and the process of couple therapy.

    PubMed

    Macintosh, Heather B

    2013-01-01

    Couple therapy in the context of dissociative identity disorder (DID) has been neglected as an area of exploration and development in the couple therapy and trauma literature. What little discussion exists focuses primarily on couple therapy as an adjunct to individual therapy rather than as a primary treatment for couple distress and trauma. Couple therapy researchers have begun to develop adaptations to provide effective support to couples dealing with the impact of childhood trauma in their relationships, but little attention has been paid to the specific and complex needs of DID patients in couple therapy (H. B. MacIntosh & S. Johnson, 2008 ). This review and case presentation explores the case of "Lisa," a woman diagnosed with DID, and "Don," her partner, and illustrates the themes of learning to communicate, handling conflicting needs, responding to child alters, and addressing sexuality and education through their therapy process. It is the hope of the author that this discussion will renew interest in the field of couple therapy in the context of DID, with the eventual goal of developing an empirically testable model of treatment for couples. PMID:23282049

  10. Dissociative identity disorder and the process of couple therapy.

    PubMed

    Macintosh, Heather B

    2013-01-01

    Couple therapy in the context of dissociative identity disorder (DID) has been neglected as an area of exploration and development in the couple therapy and trauma literature. What little discussion exists focuses primarily on couple therapy as an adjunct to individual therapy rather than as a primary treatment for couple distress and trauma. Couple therapy researchers have begun to develop adaptations to provide effective support to couples dealing with the impact of childhood trauma in their relationships, but little attention has been paid to the specific and complex needs of DID patients in couple therapy (H. B. MacIntosh & S. Johnson, 2008 ). This review and case presentation explores the case of "Lisa," a woman diagnosed with DID, and "Don," her partner, and illustrates the themes of learning to communicate, handling conflicting needs, responding to child alters, and addressing sexuality and education through their therapy process. It is the hope of the author that this discussion will renew interest in the field of couple therapy in the context of DID, with the eventual goal of developing an empirically testable model of treatment for couples.

  11. Vibronic coupling simulations for linear and nonlinear optical processes: Theory

    NASA Astrophysics Data System (ADS)

    Silverstein, Daniel W.; Jensen, Lasse

    2012-02-01

    A comprehensive vibronic coupling model based on the time-dependent wavepacket approach is derived to simulate linear optical processes, such as one-photon absorbance and resonance Raman scattering, and nonlinear optical processes, such as two-photon absorbance and resonance hyper-Raman scattering. This approach is particularly well suited for combination with first-principles calculations. Expressions for the Franck-Condon terms, and non-Condon effects via the Herzberg-Teller coupling approach in the independent-mode displaced harmonic oscillator model are presented. The significance of each contribution to the different spectral types is discussed briefly.

  12. Simulation of Stochastic Processes by Coupled ODE-PDE

    NASA Technical Reports Server (NTRS)

    Zak, Michail

    2008-01-01

    A document discusses the emergence of randomness in solutions of coupled, fully deterministic ODE-PDE (ordinary differential equations-partial differential equations) due to failure of the Lipschitz condition as a new phenomenon. It is possible to exploit the special properties of ordinary differential equations (represented by an arbitrarily chosen, dynamical system) coupled with the corresponding Liouville equations (used to describe the evolution of initial uncertainties in terms of joint probability distribution) in order to simulate stochastic processes with the proscribed probability distributions. The important advantage of the proposed approach is that the simulation does not require a random-number generator.

  13. [Treatment of petrochemical secondary effluent by ozone-biological aerated filter].

    PubMed

    Liu, Ming-Guo; Wu, Chang-Yong; Zhou, Yue-Xi; Gao, Zhen; Wang, Pei-Chao; Yang, Qi; Dong, De

    2014-02-01

    The advanced treatment of petrochemical secondary wastewater by ozone- aerated biological filter was carried out in this study. The effect of pH on ozonation and the removal of COD and UV254 by the ozone-aerated biological filter combined process were investigated. In addition, the variation of relative molecular mass distribution of organics and the characteristics of three-dimensional fluorescence spectra of the wastewater were also investigated. The results showed that the suitable operating conditions of the ozonation unit were: ozone dosage 10 mg x L(-1), contact time 4 min and slightly alkaline pH. Ozonation can transfer macromolecular organics into small molecular organics, resulting in a 15% increase in the percentage of the organics with small relative molecular mass (less than 1 000). The biodegradability of the petrochemical secondary effluent was significantly improved by ozonation, making it more suitable for the treatment by aerated biological filter. The removal efficiency of COD and UV254 were 40.8% and 45.8% when the hydraulic retention time was 3 hours and the gas to water ratio was 3:1 for BAF. The average COD of the petrochemical wastewater was 86.5 mg x L(-1) while the average COD of the effluent of the combined process was 49.4 mg x L(-1) when it was operated under optimal conditions.

  14. Gene regulation and noise reduction by coupling of stochastic processes

    NASA Astrophysics Data System (ADS)

    Ramos, Alexandre F.; Hornos, José Eduardo M.; Reinitz, John

    2015-02-01

    Here we characterize the low-noise regime of a stochastic model for a negative self-regulating binary gene. The model has two stochastic variables, the protein number and the state of the gene. Each state of the gene behaves as a protein source governed by a Poisson process. The coupling between the two gene states depends on protein number. This fact has a very important implication: There exist protein production regimes characterized by sub-Poissonian noise because of negative covariance between the two stochastic variables of the model. Hence the protein numbers obey a probability distribution that has a peak that is sharper than those of the two coupled Poisson processes that are combined to produce it. Biochemically, the noise reduction in protein number occurs when the switching of the genetic state is more rapid than protein synthesis or degradation. We consider the chemical reaction rates necessary for Poisson and sub-Poisson processes in prokaryotes and eucaryotes. Our results suggest that the coupling of multiple stochastic processes in a negative covariance regime might be a widespread mechanism for noise reduction.

  15. Gene regulation and noise reduction by coupling of stochastic processes.

    PubMed

    Ramos, Alexandre F; Hornos, José Eduardo M; Reinitz, John

    2015-02-01

    Here we characterize the low-noise regime of a stochastic model for a negative self-regulating binary gene. The model has two stochastic variables, the protein number and the state of the gene. Each state of the gene behaves as a protein source governed by a Poisson process. The coupling between the two gene states depends on protein number. This fact has a very important implication: There exist protein production regimes characterized by sub-Poissonian noise because of negative covariance between the two stochastic variables of the model. Hence the protein numbers obey a probability distribution that has a peak that is sharper than those of the two coupled Poisson processes that are combined to produce it. Biochemically, the noise reduction in protein number occurs when the switching of the genetic state is more rapid than protein synthesis or degradation. We consider the chemical reaction rates necessary for Poisson and sub-Poisson processes in prokaryotes and eucaryotes. Our results suggest that the coupling of multiple stochastic processes in a negative covariance regime might be a widespread mechanism for noise reduction.

  16. Method of processing materials using an inductively coupled plasma

    DOEpatents

    Hull, D.E.; Bieniewski, T.M.

    1987-04-13

    A method of processing materials. The invention enables ultrafine, ultrapure powders to be formed from solid ingots in a gas free environment. A plasma is formed directly from an ingot which insures purity. The vaporized material is expanded through a nozzle and the resultant powder settles on a cold surface. An inductively coupled plasma may also be used to process waste chemicals. Noxious chemicals are directed through a series of plasma tubes, breaking molecular bonds and resulting in relatively harmless atomic constituents. 3 figs.

  17. Drift-Scale Coupled Processes (DST and THC Seepage) Models

    SciTech Connect

    E. Gonnenthal; N. Spyoher

    2001-02-05

    The purpose of this Analysis/Model Report (AMR) is to document the Near-Field Environment (NFE) and Unsaturated Zone (UZ) models used to evaluate the potential effects of coupled thermal-hydrologic-chemical (THC) processes on unsaturated zone flow and transport. This is in accordance with the ''Technical Work Plan (TWP) for Unsaturated Zone Flow and Transport Process Model Report'', Addendum D, Attachment D-4 (Civilian Radioactive Waste Management System (CRWMS) Management and Operating Contractor (M and O) 2000 [153447]) and ''Technical Work Plan for Nearfield Environment Thermal Analyses and Testing'' (CRWMS M and O 2000 [153309]). These models include the Drift Scale Test (DST) THC Model and several THC seepage models. These models provide the framework to evaluate THC coupled processes at the drift scale, predict flow and transport behavior for specified thermal loading conditions, and predict the chemistry of waters and gases entering potential waste-emplacement drifts. The intended use of this AMR is to provide input for the following: (1) Performance Assessment (PA); (2) Abstraction of Drift-Scale Coupled Processes AMR (ANL-NBS-HS-000029); (3) UZ Flow and Transport Process Model Report (PMR); and (4) Near-Field Environment (NFE) PMR. The work scope for this activity is presented in the TWPs cited above, and summarized as follows: continue development of the repository drift-scale THC seepage model used in support of the TSPA in-drift geochemical model; incorporate heterogeneous fracture property realizations; study sensitivity of results to changes in input data and mineral assemblage; validate the DST model by comparison with field data; perform simulations to predict mineral dissolution and precipitation and their effects on fracture properties and chemistry of water (but not flow rates) that may seep into drifts; submit modeling results to the TDMS and document the models. The model development, input data, sensitivity and validation studies described in

  18. Drift-Scale Coupled Processes (DST and THC Seepage) Models

    SciTech Connect

    E. Sonnenthale

    2001-04-16

    The purpose of this Analysis/Model Report (AMR) is to document the Near-Field Environment (NFE) and Unsaturated Zone (UZ) models used to evaluate the potential effects of coupled thermal-hydrologic-chemical (THC) processes on unsaturated zone flow and transport. This is in accordance with the ''Technical Work Plan (TWP) for Unsaturated Zone Flow and Transport Process Model Report'', Addendum D, Attachment D-4 (Civilian Radioactive Waste Management System (CRWMS) Management and Operating Contractor (M&O) 2000 [1534471]) and ''Technical Work Plan for Nearfield Environment Thermal Analyses and Testing'' (CRWMS M&O 2000 [153309]). These models include the Drift Scale Test (DST) THC Model and several THC seepage models. These models provide the framework to evaluate THC coupled processes at the drift scale, predict flow and transport behavior for specified thermal loading conditions, and predict the chemistry of waters and gases entering potential waste-emplacement drifts. The intended use of this AMR is to provide input for the following: Performance Assessment (PA); Near-Field Environment (NFE) PMR; Abstraction of Drift-Scale Coupled Processes AMR (ANL-NBS-HS-000029); and UZ Flow and Transport Process Model Report (PMR). The work scope for this activity is presented in the TWPs cited above, and summarized as follows: Continue development of the repository drift-scale THC seepage model used in support of the TSPA in-drift geochemical model; incorporate heterogeneous fracture property realizations; study sensitivity of results to changes in input data and mineral assemblage; validate the DST model by comparison with field data; perform simulations to predict mineral dissolution and precipitation and their effects on fracture properties and chemistry of water (but not flow rates) that may seep into drifts; submit modeling results to the TDMS and document the models. The model development, input data, sensitivity and validation studies described in this AMR are required

  19. MOUNTAIN-SCALE COUPLED PROCESSES (TH/THC/THM)MODELS

    SciTech Connect

    Y.S. Wu

    2005-08-24

    This report documents the development and validation of the mountain-scale thermal-hydrologic (TH), thermal-hydrologic-chemical (THC), and thermal-hydrologic-mechanical (THM) models. These models provide technical support for screening of features, events, and processes (FEPs) related to the effects of coupled TH/THC/THM processes on mountain-scale unsaturated zone (UZ) and saturated zone (SZ) flow at Yucca Mountain, Nevada (BSC 2005 [DIRS 174842], Section 2.1.1.1). The purpose and validation criteria for these models are specified in ''Technical Work Plan for: Near-Field Environment and Transport: Coupled Processes (Mountain-Scale TH/THC/THM, Drift-Scale THC Seepage, and Drift-Scale Abstraction) Model Report Integration'' (BSC 2005 [DIRS 174842]). Model results are used to support exclusion of certain FEPs from the total system performance assessment for the license application (TSPA-LA) model on the basis of low consequence, consistent with the requirements of 10 CFR 63.342 [DIRS 173273]. Outputs from this report are not direct feeds to the TSPA-LA. All the FEPs related to the effects of coupled TH/THC/THM processes on mountain-scale UZ and SZ flow are discussed in Sections 6 and 7 of this report. The mountain-scale coupled TH/THC/THM processes models numerically simulate the impact of nuclear waste heat release on the natural hydrogeological system, including a representation of heat-driven processes occurring in the far field. The mountain-scale TH simulations provide predictions for thermally affected liquid saturation, gas- and liquid-phase fluxes, and water and rock temperature (together called the flow fields). The main focus of the TH model is to predict the changes in water flux driven by evaporation/condensation processes, and drainage between drifts. The TH model captures mountain-scale three-dimensional flow effects, including lateral diversion and mountain-scale flow patterns. The mountain-scale THC model evaluates TH effects on water and gas

  20. Characterization of Coupled Hydrologic-Biogeochemical Processes Using Geophysical Data

    SciTech Connect

    Hubbard, Susan

    2005-06-01

    Biogeochemical and hydrological processes are naturally coupled and variable over a wide range of spatial and temporal scales. Many remediation approaches also induce dynamic transformations in natural systems, such as the generation of gases, precipitates and biofilms. These dynamic transformations are often coupled and can reduce the hydraulic conductivity of the geologic materials, making it difficult to introduce amendments or to perform targeted remediation. Because it is difficult to predict these transformations, our ability to develop effective and sustainable remediation conditions at contaminated sites is often limited. Further complicating the problem is the inability to collect the necessary measurements at a high enough spatial resolution yet over a large enough volume for understanding field-scale transformations.

  1. Calcium dynamics in astrocyte processes during neurovascular coupling

    PubMed Central

    Otsu, Yo; Couchman, Kiri; Lyons, Declan G; Collot, Mayeul; Agarwal, Amit; Mallet, Jean-Maurice; Pfrieger, Frank W; Bergles, Dwight E; Charpak, Serge

    2015-01-01

    Enhanced neuronal activity in the brain triggers a local increase in blood flow, termed functional hyperemia, via several mechanisms, including calcium (Ca2+) signaling in astrocytes. However, recent in vivo studies have questioned the role of astrocytes in functional hyperemia because of the slow and sparse dynamics of their somatic Ca2+ signals and the absence of glutamate metabotropic receptor 5 in adults. Here, we reexamined their role in neurovascular coupling by selectively expressing a genetically encoded Ca2+ sensor in astrocytes of the olfactory bulb. We show that in anesthetized mice, the physiological activation of olfactory sensory neuron (OSN) terminals reliably triggers Ca2+ increases in astrocyte processes but not in somata. These Ca2+ increases systematically precede the onset of functional hyperemia by 1–2 s, reestablishing astrocytes as potential regulators of neurovascular coupling. PMID:25531572

  2. Coupled Biogeochemical Process Evaluation for Conceptualizing Trichloroethylene Co-Metabolism

    SciTech Connect

    Colwell, Frederick; Radtke, Corey; Newby, Deborah; Delwiche, Mark; Crawf, Ronald L.; Paszczynski, Andrzej; Strap, Janice; Conrad, Mark; Brodic, Eoin; Starr, Robert; Lee, Hope

    2006-04-05

    Chlorinated solvent wastes (e.g., trichloroethene or TCE) often occur as diffuse subsurface plumes in complex geological environments where coupled processes must be understood in order to implement remediation strategies. Monitored natural attenuation (MNA) warrants study as a remediation technology because it minimizes worker and environment exposure to the wastes and because it costs less than other technologies. However, to be accepted MNA requires 'lines of evidence' indicating that the wastes are effectively destroyed. Our research will study the coupled biogeochemical processes that dictate the rate of TCE co-metabolism in contaminated aquifers first at the Idaho National Laboratory and then at Paducah or the Savannah River Site, where natural attenuation of TCE is occurring. We will use flow-through in situ reactors to investigate the rate of methanotrophic co-metabolism of TCE and the coupling of the responsible biological processes with the dissolved methane flux and groundwater flow velocity. We will use new approaches (e.g., stable isotope probing, enzyme activity probes, real-time reverse transcriptase polymerase chain reaction, proteomics) to assay the TCE co-metabolic rates, and interpret these rates in the context of enzyme activity, gene expression, and cellular inactivation related to intermediates of TCE co-metabolism. By determining the rate of TCE co-metabolism at different methane concentrations and groundwater flow velocities, we will derive key modeling parameters for the computational simulations that describe the attenuation, and thereby refine such models while assessing the contribution of microbial relative to other natural attenuation processes. This research will strengthen our ability to forecast the viability of MNA at DOE and other sites that are contaminated with chlorinated hydrocarbons.

  3. Model coupling for predicting a developmental patterning process

    NASA Astrophysics Data System (ADS)

    Dhulekar, Nimit; Oztan, Basak; Yener, Bülent

    2016-03-01

    Physics-based-theoretical models have been used to predict developmental patterning processes such as branching morphogenesis for over half a century. While such techniques are quite successful in understanding the patterning processes in organs such as the lung and the kidney, they are unable to accurately model the processes in other organs such as the submandibular salivary gland. One possible reason is the detachment of these models from data that describe the underlying biological process. This hypothesis coupled with the increasing availability of high quality data has made discrete, data-driven models attractive alternatives. These models are based on extracting features from data to describe the patterns and their time evolving multivariate statistics. These discrete models have low computational complexity and comparable or better accuracy than the continuous models. This paper presents a case study for coupling continuous-physics-based and discrete-empirical-models to address the prediction of cleft formation during the early stages of branching morphogenesis in mouse submandibular salivary glands (SMG). Given a time-lapse movie of a growing SMG, first we build a descriptive model that captures the underlying biological process and quantifies this ground truth. Tissue-scale (global) morphological features are used to characterize the biological ground truth. Second, we formulate a predictive model using the level-set method that simulates branching morphogenesis. This model successfully predicts the topological evolution, however, it is blind to the cellular organization, and cell-to-cell interactions occurring inside a gland; information that is available in the image data. Our primary objective via this study is to couple the continuous level set model with a discrete graph theory model that captures the cellular organization but ignores the forces that determine the evolution of the gland surface, i.e. formation of clefts and buds. We compared the

  4. Modeling Coupled Processes in Clay Formations for Radioactive Waste Disposal

    SciTech Connect

    Liu, Hui-Hai; Rutqvist, Jonny; Zheng, Liange; Sonnenthal, Eric; Houseworth, Jim; Birkholzer, Jens

    2010-08-31

    As a result of the termination of the Yucca Mountain Project, the United States Department of Energy (DOE) has started to explore various alternative avenues for the disposition of used nuclear fuel and nuclear waste. The overall scope of the investigation includes temporary storage, transportation issues, permanent disposal, various nuclear fuel types, processing alternatives, and resulting waste streams. Although geologic disposal is not the only alternative, it is still the leading candidate for permanent disposal. The realm of geologic disposal also offers a range of geologic environments that may be considered, among those clay shale formations. Figure 1-1 presents the distribution of clay/shale formations within the USA. Clay rock/shale has been considered as potential host rock for geological disposal of high-level nuclear waste throughout the world, because of its low permeability, low diffusion coefficient, high retention capacity for radionuclides, and capability to self-seal fractures induced by tunnel excavation. For example, Callovo-Oxfordian argillites at the Bure site, France (Fouche et al., 2004), Toarcian argillites at the Tournemire site, France (Patriarche et al., 2004), Opalinus clay at the Mont Terri site, Switzerland (Meier et al., 2000), and Boom clay at Mol site, Belgium (Barnichon et al., 2005) have all been under intensive scientific investigations (at both field and laboratory scales) for understanding a variety of rock properties and their relations with flow and transport processes associated with geological disposal of nuclear waste. Clay/shale formations may be generally classified as indurated and plastic clays (Tsang et al., 2005). The latter (including Boom clay) is a softer material without high cohesion; its deformation is dominantly plastic. For both clay rocks, coupled thermal, hydrological, mechanical and chemical (THMC) processes are expected to have a significant impact on the long-term safety of a clay repository. For

  5. Model-based risk analysis of coupled process steps.

    PubMed

    Westerberg, Karin; Broberg-Hansen, Ernst; Sejergaard, Lars; Nilsson, Bernt

    2013-09-01

    A section of a biopharmaceutical manufacturing process involving the enzymatic coupling of a polymer to a therapeutic protein was characterized with regards to the process parameter sensitivity and design space. To minimize the formation of unwanted by-products in the enzymatic reaction, the substrate was added in small amounts and unreacted protein was separated using size-exclusion chromatography (SEC) and recycled to the reactor. The quality of the final recovered product was thus a result of the conditions in both the reactor and the SEC, and a design space had to be established for both processes together. This was achieved by developing mechanistic models of the reaction and SEC steps, establishing the causal links between process conditions and product quality. Model analysis was used to complement the qualitative risk assessment, and design space and critical process parameters were identified. The simulation results gave an experimental plan focusing on the "worst-case regions" in terms of product quality and yield. In this way, the experiments could be used to verify both the suggested process and the model results. This work demonstrates the necessary steps of model-assisted process analysis, from model development through experimental verification.

  6. Measurement of coupled soil heat and water processes

    NASA Astrophysics Data System (ADS)

    Heitman, Joshua L.

    2007-12-01

    Coupled soil heat and water processes are critical for terrestrial life at all scales. Yet detailed understanding of these processes is limited. Inability to measure fine-scale, transient, one-dimensional (1-D) heat and water redistribution encumbers laboratory and field experiments and restricts testing of theory. The impetus for this work is to strengthen understanding of soil heat and water processes through improved measurement. Objectives were to (1) Develop closed soil cells with 1-D, non-isothermal conditions; (2) Measure soil temperature, water content, and thermal conductivity distributions under transient, 1-D conditions; (3) Test diffusion-based coupled heat and water transfer theory; and 4) Measure in situ soil water evaporation under dynamic field conditions. Soil-insulated, closed soil cells were developed to achieve 1-D conditions. These cells provided a 1:0.02 ratio between intended axial and unintended radial temperature gradients. The cells were instrumented with thermo-TDR sensors to measure transient temperature, water content, and thermal conductivity for two soils (sand and silt loam), two initial moistures, and ten boundary temperature gradients. Thermo-TDR water content measurements provided root mean square error (RMSE) <0.02 m3 m-3 versus gravimetric measurements. Co-located inflection points in temperature, water content, and thermal conductivity distributions indicated heat and water redistribution consistent with coupled transfer. These data were used to calibrate and test transfer theory. Adjustment of calculated vapor and liquid fluxes via the vapor enhancement factor and saturated hydraulic conductivity, respectively, reduced RMSE by an average of 36% for water content and temperature. Predictions from calibrated theory agreed with measurement when boundary and initial conditions changed gradually, but showed more disparity for drastic changes in boundary temperature conditions. In the field, a measurement-based soil heat balance was

  7. Upscalling processes in an ocean-atmosphere multiscale coupled model

    NASA Astrophysics Data System (ADS)

    Masson, S. G.; Berthet, S.; Samson, G.; Crétat, J.; Colas, F.; Echevin, V.; Jullien, S.; Hourdin, C.

    2015-12-01

    This work explores new pathways toward a better representation of the multi-scale physics that drive climate variability. We are analysing the key upscaling processes by which small-scale localized errors have a knock-on effect onto global climate. We focus on the Peru-Chilli coastal upwelling, an area known to hold among the strongest models biases in the Tropics. Our approach is based on the development of a multiscale coupling interface allowing us to couple WRF with the NEMO oceanic model in a configuration including 2-way nested zooms in the oceanic and/or the atmospheric component of the coupled model. Upscalling processes are evidenced and quantified by comparing three 20-year long simulations of a tropical channel (45°S-45°N), which differ by their horizontal resolution: 0.75° everywhere, 0.75°+0.25° zoom in the southeastern Pacific or 0.25° everywhere. This set of three 20-year long simulations was repeated with 3 different sets of parameterizations to assess the robustness of our results. Our results show that adding an embedded zoom over the southeastern Pacific only in the atmosphere cools down the SST along the Peru-Chili coast, which is a clear improvement. This change is associated with a displacement of the low-level cloud cover, which moves closer to the coast cooling further the coastal area SST. Offshore, we observe the opposite effect with a reduction of the cloud cover with higher resolution, which increases solar radiation and warms the SST. Increasing the resolution in the oceanic component show contrasting results according to the different set parameterization used in the experiments. Some experiment shows a coastal cooling as expected, whereas, in other cases, we observe a counterintuitive response with a warming of the coastal SST. Using at the same time an oceanic and an atmospheric zoom mostly combines the results obtained when using the 2-way nesting in only one component of the coupled model. In the best case, we archive by this

  8. Queueing up for enzymatic processing: correlated signaling through coupled degradation

    PubMed Central

    Cookson, Natalie A; Mather, William H; Danino, Tal; Mondragón-Palomino, Octavio; Williams, Ruth J; Tsimring, Lev S; Hasty, Jeff

    2011-01-01

    High-throughput technologies have led to the generation of complex wiring diagrams as a post-sequencing paradigm for depicting the interactions between vast and diverse cellular species. While these diagrams are useful for analyzing biological systems on a large scale, a detailed understanding of the molecular mechanisms that underlie the observed network connections is critical for the further development of systems and synthetic biology. Here, we use queueing theory to investigate how ‘waiting lines' can lead to correlations between protein ‘customers' that are coupled solely through a downstream set of enzymatic ‘servers'. Using the E. coli ClpXP degradation machine as a model processing system, we observe significant cross-talk between two networks that are indirectly coupled through a common set of processors. We further illustrate the implications of enzymatic queueing using a synthetic biology application, in which two independent synthetic networks demonstrate synchronized behavior when common ClpXP machinery is overburdened. Our results demonstrate that such post-translational processes can lead to dynamic connections in cellular networks and may provide a mechanistic understanding of existing but currently inexplicable links. PMID:22186735

  9. A Fully Coupled Computational Model of the Silylation Process

    SciTech Connect

    G. H. Evans; R. S. Larson; V. C. Prantil; W. S. Winters

    1999-02-01

    This report documents the development of a new finite element model of the positive tone silylation process. Model development makes use of pre-existing Sandia technology used to describe coupled thermal-mechanical behavior in deforming metals. Material properties and constitutive models were obtained from the literature. The model is two-dimensional and transient and focuses on the part of the lithography process in which crosslinked and uncrosslinked resist is exposed to a gaseous silylation agent. The model accounts for the combined effects of mass transport (diffusion of silylation agent and reaction product), chemical reaction resulting in the uptake of silicon and material swelling, the generation of stresses, and the resulting material motion. The influence of stress on diffusion and reaction rates is also included.

  10. Fouling control of a membrane coupled photocatalytic process treating greywater.

    PubMed

    Pidou, Marc; Parsons, Simon A; Raymond, Gaëlle; Jeffrey, Paul; Stephenson, Tom; Jefferson, Bruce

    2009-09-01

    Fouling in membrane coupled photocatalytic reactors was investigated in the case of greywater treatment by establishing the link between product type, dose, irradiation time and fouling rates in a cross flow membrane cell fitted with a 0.4 microm pore sized polyethylene membrane. Rapid fouling occurred only with shower gels and conditioners and was linked to changes in the organo-TiO(2) aggregate size postulated to be caused by polymers within the products. Fouling was reduced to a negligible level when sufficient irradiation was applied demonstrating that the membrane component of the process is not the issue and that scale up and implementation of the process relates to effective design of the UV reactor.

  11. Drift-Scale Coupled Processes (DST and THC Seepage) Models

    SciTech Connect

    P. Dixon

    2004-04-05

    The purpose of this Model Report (REV02) is to document the unsaturated zone (UZ) models used to evaluate the potential effects of coupled thermal-hydrological-chemical (THC) processes on UZ flow and transport. This Model Report has been developed in accordance with the ''Technical Work Plan for: Performance Assessment Unsaturated Zone'' (Bechtel SAIC Company, LLC (BSC) 2002 [160819]). The technical work plan (TWP) describes planning information pertaining to the technical scope, content, and management of this Model Report in Section 1.12, Work Package AUZM08, ''Coupled Effects on Flow and Seepage''. The plan for validation of the models documented in this Model Report is given in Attachment I, Model Validation Plans, Section I-3-4, of the TWP. Except for variations in acceptance criteria (Section 4.2), there were no deviations from this TWP. This report was developed in accordance with AP-SIII.10Q, ''Models''. This Model Report documents the THC Seepage Model and the Drift Scale Test (DST) THC Model. The THC Seepage Model is a drift-scale process model for predicting the composition of gas and water that could enter waste emplacement drifts and the effects of mineral alteration on flow in rocks surrounding drifts. The DST THC model is a drift-scale process model relying on the same conceptual model and much of the same input data (i.e., physical, hydrological, thermodynamic, and kinetic) as the THC Seepage Model. The DST THC Model is the primary method for validating the THC Seepage Model. The DST THC Model compares predicted water and gas compositions, as well as mineral alteration patterns, with observed data from the DST. These models provide the framework to evaluate THC coupled processes at the drift scale, predict flow and transport behavior for specified thermal-loading conditions, and predict the evolution of mineral alteration and fluid chemistry around potential waste emplacement drifts. The DST THC Model is used solely for the validation of the THC

  12. Anomalous diffusion and scaling in coupled stochastic processes

    SciTech Connect

    Bel, Golan; Nemenman, Ilya

    2009-01-01

    Inspired by problems in biochemical kinetics, we study statistical properties of an overdamped Langevin processes with the friction coefficient depending on the state of a similar, unobserved, process. Integrating out the latter, we derive the Pocker-Planck the friction coefficient of the first depends on the state of the second. Integrating out the latter, we derive the Focker-Planck equation for the probability distribution of the former. This has the fonn of diffusion equation with time-dependent diffusion coefficient, resulting in an anomalous diffusion. The diffusion exponent can not be predicted using a simple scaling argument, and anomalous scaling appears as well. The diffusion exponent of the Weiss-Havlin comb model is derived as a special case, and the same exponent holds even for weakly coupled processes. We compare our theoretical predictions with numerical simulations and find an excellent agreement. The findings caution against treating biochemical systems with unobserved dynamical degrees of freedom by means of standandard, diffusive Langevin descritpion.

  13. Mountain-Scale Coupled Processes (TH/THC/THM)

    SciTech Connect

    P. Dixon

    2004-02-09

    The purpose of this Model Report is to document the development of the Mountain-Scale Thermal-Hydrological (TH), Thermal-Hydrological-Chemical (THC), and Thermal-Hydrological-Mechanical (THM) Models and evaluate the effects of coupled TH/THC/THM processes on mountain-scale UZ flow at Yucca Mountain, Nevada. This Model Report was planned in ''Technical Work Plan (TWP) for: Performance Assessment Unsaturated Zone'' (BSC 2002 [160819], Section 1.12.7), and was developed in accordance with AP-SIII.10Q, Models. In this Model Report, any reference to ''repository'' means the nuclear waste repository at Yucca Mountain, and any reference to ''drifts'' means the emplacement drifts at the repository horizon. This Model Report provides the necessary framework to test conceptual hypotheses for analyzing mountain-scale hydrological/chemical/mechanical changes and predict flow behavior in response to heat release by radioactive decay from the nuclear waste repository at the Yucca Mountain site. The mountain-scale coupled TH/THC/THM processes models numerically simulate the impact of nuclear waste heat release on the natural hydrogeological system, including a representation of heat-driven processes occurring in the far field. The TH simulations provide predictions for thermally affected liquid saturation, gas- and liquid-phase fluxes, and water and rock temperature (together called the flow fields). The main focus of the TH Model is to predict the changes in water flux driven by evaporation/condensation processes, and drainage between drifts. The TH Model captures mountain-scale three dimensional (3-D) flow effects, including lateral diversion at the PTn/TSw interface and mountain-scale flow patterns. The Mountain-Scale THC Model evaluates TH effects on water and gas chemistry, mineral dissolution/precipitation, and the resulting impact to UZ hydrological properties, flow and transport. The THM Model addresses changes in permeability due to mechanical and thermal disturbances in

  14. [A new strategy for Chinese medicine processing technologies: coupled with individuation processed and cybernetics].

    PubMed

    Zhang, Ding-kun; Yang, Ming; Han, Xue; Lin, Jun-zhi; Wang, Jia-bo; Xiao, Xiao-he

    2015-08-01

    The stable and controllable quality of decoction pieces is an important factor to ensure the efficacy of clinical medicine. Considering the dilemma that the existing standardization of processing mode cannot effectively eliminate the variability of quality raw ingredients, and ensure the stability between different batches, we first propose a new strategy for Chinese medicine processing technologies that coupled with individuation processed and cybernetics. In order to explain this thinking, an individual study case about different grades aconite is provided. We hope this strategy could better serve for clinical medicine, and promote the inheritance and innovation of Chinese medicine processing skills and theories. PMID:26790315

  15. [A new strategy for Chinese medicine processing technologies: coupled with individuation processed and cybernetics].

    PubMed

    Zhang, Ding-kun; Yang, Ming; Han, Xue; Lin, Jun-zhi; Wang, Jia-bo; Xiao, Xiao-he

    2015-08-01

    The stable and controllable quality of decoction pieces is an important factor to ensure the efficacy of clinical medicine. Considering the dilemma that the existing standardization of processing mode cannot effectively eliminate the variability of quality raw ingredients, and ensure the stability between different batches, we first propose a new strategy for Chinese medicine processing technologies that coupled with individuation processed and cybernetics. In order to explain this thinking, an individual study case about different grades aconite is provided. We hope this strategy could better serve for clinical medicine, and promote the inheritance and innovation of Chinese medicine processing skills and theories.

  16. Evolutionary games of condensates in coupled birth-death processes

    NASA Astrophysics Data System (ADS)

    Weber, Markus F.; Knebel, Johannes; Krueger, Torben; Frey, Erwin

    2015-03-01

    Condensation phenomena occur in many systems, both in a classical and a quantum mechanical context. Typically, the entities that constitute a system collectively concentrate in one distinct state during condensation. For example, cooling of an equilibrated bosonic gas may lead to condensation into the quantum ground state. Notably, the mathematical theory of this Bose-Einstein condensation is not limited to quantum theory but was also successfully applied to condensation in random networks. In our work, we follow the opposite path. We apply the theory of evolutionary dynamics to describe condensation in a bosonic system that is driven and dissipative. It was shown that the system may condense into multiple quantum states, but into which states has remained elusive. We find that vanishing of relative entropy production determines these states. We illuminate the physical principles underlying the condensation and show that the condensates do not need to be static but may engage in ``evolutionary games'' with exchange of particles. On the mathematical level, the condensation is described by coupled birth-death processes. The generic structure of these processes implies that our results also apply to condensation in other systems, ranging from population biology to chemical kinetics.

  17. 3-D Modelling of Electromagnetic, Thermal, Mechanical and Metallurgical Couplings in Metal Forming Processes

    SciTech Connect

    Chenot, Jean-Loup; Bay, Francois

    2007-04-07

    The different stages of metal forming processes often involve - beyond the mechanical deformations processes - other physical coupled problems, such as heat transfer, electromagnetism or metallurgy. The purpose of this paper is to focus on problems involving electromagnetic couplings. After a brief recall on electromagnetic modeling, we shall then focus on induction heating processes and present some results regarding heat transfer, as well as mechanical couplings. A case showing coupling for metallurgic microstructure evolution will conclude this paper.

  18. DRIFT-SCALE COUPLED PROCESSES (DST AND TH SEEPAGE) MODELS

    SciTech Connect

    J.T. Birkholzer; S. Mukhopadhyay

    2005-01-13

    The purpose of this report is to document drift-scale modeling work performed to evaluate the thermal-hydrological (TH) behavior in Yucca Mountain fractured rock close to waste emplacement drifts. The heat generated by the decay of radioactive waste results in rock temperatures elevated from ambient for thousands of years after emplacement. Depending on the thermal load, these temperatures are high enough to cause boiling conditions in the rock, giving rise to water redistribution and altered flow paths. The predictive simulations described in this report are intended to investigate fluid flow in the vicinity of an emplacement drift for a range of thermal loads. Understanding the TH coupled processes is important for the performance of the repository because the thermally driven water saturation changes affect the potential seepage of water into waste emplacement drifts. Seepage of water is important because if enough water gets into the emplacement drifts and comes into contact with any exposed radionuclides, it may then be possible for the radionuclides to be transported out of the drifts and to the groundwater below the drifts. For above-boiling rock temperatures, vaporization of percolating water in the fractured rock overlying the repository can provide an important barrier capability that greatly reduces (and possibly eliminates) the potential of water seeping into the emplacement drifts. In addition to this thermal process, water is inhibited from entering the drift opening by capillary forces, which occur under both ambient and thermal conditions (capillary barrier). The combined barrier capability of vaporization processes and capillary forces in the near-field rock during the thermal period of the repository is analyzed and discussed in this report.

  19. Drift-Scale Coupled Processes (DST and TH Seepage) Models

    SciTech Connect

    J. Birkholzer; S. Mukhopadhyay

    2004-09-29

    The purpose of this report is to document drift-scale modeling work performed to evaluate the thermal-hydrological (TH) behavior in Yucca Mountain fractured rock close to waste emplacement drifts. The heat generated by the decay of radioactive waste results in rock temperatures elevated from ambient for thousands of years after emplacement. Depending on the thermal load, these temperatures are high enough to cause boiling conditions in the rock, giving rise to water redistribution and altered flow paths. The predictive simulations described in this report are intended to investigate fluid flow in the vicinity of an emplacement drift for a range of thermal loads. Understanding the TH coupled processes is important for the performance of the repository because the thermally driven water saturation changes affect the potential seepage of water into waste emplacement drifts. Seepage of water is important because if enough water gets into the emplacement drifts and comes into contact with any exposed radionuclides, it may then be possible for the radionuclides to be transported out of the drifts and to the groundwater below the drifts. For above-boiling rock temperatures, vaporization of percolating water in the fractured rock overlying the repository can provide an important barrier capability that greatly reduces (and possibly eliminates) the potential of water seeping into the emplacement drifts. In addition to this thermal process, water is inhibited from entering the drift opening by capillary forces, which occur under both ambient and thermal conditions (capillary barrier). The combined barrier capability of vaporization processes and capillary forces in the near-field rock during the thermal period of the repository is analyzed and discussed in this report.

  20. Feedback control of chlorine inductively coupled plasma etch processing

    SciTech Connect

    Lin Chaung; Leou, K.-C.; Shiao, K.-M.

    2005-03-01

    Feedback control has been applied to poly-Si etch processing using a chlorine inductively coupled plasma. Since the positive ion flux and ion energy incident upon the wafer surface are the key factors that influence the etch rate, the ion current and the root mean square (rms) rf voltage on the wafer stage, which are measured using an impedance meter connected to the wafer stage, are adopted as the controlled variables to enhance etch rate. The actuators are two 13.56 MHz rf power generators, which adjust ion density and ion energy, respectively. The results of closed-loop control show that the advantages of feedback control can be achieved. For example, with feedback control, etch rate variation under the transient chamber wall condition is reduced roughly by a factor of 2 as compared to the open-loop case. In addition, the capability of the disturbance rejection was also investigated. For a gas pressure variation of 20%, the largest etch rate variation is about 2.4% with closed-loop control as compared with as large as about 6% variation using open-loop control. Also the effect of ion current and rms rf voltage on etch rate was studied using 2{sup 2} factorial design whose results were used to derive a model equation. The obtained formula was used to adjust the set point of ion current and rf voltage so that the desired etch rate was obtained.

  1. Coupled fragmentation and silicification processes in fault zones.

    NASA Astrophysics Data System (ADS)

    Ord, Alison; Seybold, Lina; Hobbs, Bruce; Kruhl, Jörn; Heuss, Soraya; Blenkinsop, Tom

    2015-04-01

    We explore some possible interactions of mechanical and chemical processes which may have led to the patterns of fragmentation and quartz precipitation observed at the Fountain Range Fault at Fountain Springs. Seybold et al. (this session) describe features which indicate a multiphase fragmentation and quartz precipitation history of the Fountain Range Fault (Mt Isa Inlier, Australia). They infer that intense fragmentation, together with fluid infiltration and quartz crystallization in pore space, led to fine-grained cataclastic and silicified masses, followed by numerous events of quartz-vein formation and, again, cataclasis probably leading to flow of particle-fluid suspensions. They proposed the macro- and microstructures to reflect the interaction of repeated processes of fragmentation, fluid flux, quartz precipitation and cataclastic flow during the long-lasting history of the fault zone. We compare and contrast the patterns arising from the modelled interactions with the observed patterns in a quantitative manner through the application of wavelets. There are all sorts of wavelets, each useful for different patterns. The point is that all of them are localised wave packets of some kind the wavelet is scanned across the image with different magnifications and we look to see how closely the wavelet matches the image at a particular scale. It is a "fabric microscope" that enables one to zoom into the details of any deformation fabric and extract information on the ways in which the geometry of every part of the fabric scales with size. This enables a scalogram to be constructed and from that the singularity spectrum with its many measures of features of the geometry. The wavelet analysis enables us to compare in a quantitative manner the results of numerical modeling based on a coupled damage quartz precipitation model with field observations.

  2. Client Discourses on the Process of Seeking Same-Sex Couple Counselling

    ERIC Educational Resources Information Center

    Grove, Jan; Peel, Elizabeth; Owen-Pugh, Valerie

    2013-01-01

    How same-sex couples manage the process of seeking help for their relationships is an under-researched area. Twelve semi-structured interviews were conducted with 16 people who had engaged in same-sex couple counselling, and were analysed using discourse analysis. The ways in which the couples positioned themselves as part of a "minority…

  3. Comparison of sequentially coupled and fully implicitly coupled numerical models of Thermal-Hydrological-Mechanical processes in Enhanced Geothermal Reservoirs

    NASA Astrophysics Data System (ADS)

    Kelkar, S.; Lewis, K. C.; Zyvoloski, G.; Rapaka, S.; Pawar, R. J.

    2011-12-01

    Energy extraction from geothermal reservoirs is strongly influenced by fracture characteristics. This fact applies to both hydrothermal as well as engineered reservoirs. The connectivity and accessible flow areas of fractures are highly dependent on stresses in the reservoir. Stress changes due to fluid injection and circulation can cause both desirable and undesirable effects. For example, desirable effects include enhancement of heat exchange area and lowering of flow impedance while undesirable effects include fluid short circuiting and eventual premature thermal breakthrough - the rock contracts and the fracture aperture increases locally causing preferential flow in a relatively small area. Hence the ability to accurately model the coupled thermal-hydrologic-mechanical (THM) processes including fracture-stress interactions in the presence of variations in temperature and fluid pressure is critical for effective reservoir management strategies. The locations of microseismic events can serve as indicators of the zones of enhanced permeability, thus providing vital information for verification of the coupled THM models. We describe a general purpose computational code, FEHM, developed for this purpose, that models coupled THM processes during multi-phase fluid flow and transport in fractured porous media. The code incorporates several models of fracture aperture and stress behavior combined with permeability relationships. Historically, coupled flow and mechanical processes have been modeled using different levels of coupling - i.e. sequential, iterative or fully implicit. We compare the predictions of the three methods on field scale examples of applications to geothermal systems.

  4. High ethylene to ethane processes for oxidative coupling

    DOEpatents

    Chafin, Richard B.; Warren, Barbara K.

    1991-01-01

    Oxidative coupling of lower alkane to higher hydrocarbon is conducted using catalyst comprising barium and/or strontium component and a metal oxide combustion promoter in the presence of vapor phase halogen component. High ethylene to ethane mole ratios in the product can be obtained over extended operating periods.

  5. High ethylene to ethane processes for oxidative coupling

    DOEpatents

    Chafin, R.B.; Warren, B.K.

    1991-12-17

    Oxidative coupling of lower alkane to higher hydrocarbon is conducted using a catalyst comprising barium and/or strontium component and a metal oxide combustion promoter in the presence of vapor phase halogen component. High ethylene to ethane mole ratios in the product can be obtained over extended operating periods.

  6. Panel discussion on near-field coupled processes with emphasis on performance assessment

    SciTech Connect

    Codell, R.B.; Baca, R.G.; Ahola, M.P.

    1996-04-01

    The presentations in this panel discussion involve the general topic of near-field coupled processes and postclosure performance assessment with an emphasis on rock mechanics. The potential impact of near-field rock mass deformation on repository performance was discussed, as well as topics including long term excavation deterioration, the performance of geologic seals, and coupled processes concerning rock mechanics in performance assessments.

  7. COUPLING

    DOEpatents

    Frisch, E.; Johnson, C.G.

    1962-05-15

    A detachable coupling arrangement is described which provides for varying the length of the handle of a tool used in relatively narrow channels. The arrangement consists of mating the key and keyhole formations in the cooperating handle sections. (AEC)

  8. Thin film coating process using an inductively coupled plasma

    DOEpatents

    Kniseley, Richard N.; Schmidt, Frederick A.; Merkle, Brian D.

    1990-01-30

    Thin coatings of normally solid materials are applied to target substrates using an inductively coupled plasma. Particles of the coating material are vaporized by plasma heating, and pass through an orifice to a first vacuum zone in which the particles are accelerated to a velocity greater than Mach 1. The shock wave generated in the first vacuum zone is intercepted by the tip of a skimmer cone that provides a second orifice. The particles pass through the second orifice into a second zone maintained at a higher vacuum and impinge on the target to form the coating. Ultrapure coatings can be formed.

  9. Low power, compact charge coupled device signal processing system

    NASA Technical Reports Server (NTRS)

    Bosshart, P. W.; Buss, D. D.; Eversole, W. L.; Hewes, C. R.; Mayer, D. J.

    1980-01-01

    A variety of charged coupled devices (CCDs) for performing programmable correlation for preprocessing environmental sensor data preparatory to its transmission to the ground were developed. A total of two separate ICs were developed and a third was evaluated. The first IC was a CCD chirp z transform IC capable of performing a 32 point DFT at frequencies to 1 MHz. All on chip circuitry operated as designed with the exception of the limited dynamic range caused by a fixed pattern noise due to interactions between the digital and analog circuits. The second IC developed was a 64 stage CCD analog/analog correlator for performing time domain correlation. Multiplier errors were found to be less than 1 percent at designed signal levels and less than 0.3 percent at the measured smaller levels. A prototype IC for performing time domain correlation was also evaluated.

  10. Coupling of hydrodynamic and biogeochemical processes at aquatic interfaces

    NASA Astrophysics Data System (ADS)

    Lewandowski, Jörg; Krause, Stefan

    2015-04-01

    The overall aim of this contribution is a general conceptual framework for aquatic interfaces that is applicable to a wide range of systems, scales and processes. Aquatic interfaces are characterized by steep physical, chemical and biological gradients due to the contrast between the two adjacent environments. Investigating the spatially heterogeneous and temporally variable hydrodynamic and biogeochemical processes requires innovative monitoring technologies and sophisticated measurement techniques that can cope with different spatial scales. Although enhanced biogeochemical processing rates are inherent to aquatic interfaces due to their steep biogeochemical gradients and their intensive structural and compositional heterogeneity, the effective turnover depends strongly on the residence time distribution along the flow paths with their particular biogeochemical milieus and reaction kinetics. Thus, identification and characterization of the highly complex flow patterns in and across aquatic interfaces are crucial to understand biogeochemical processing along exchange flow paths and to quantify transport across aquatic interfaces; i.e. hydrodynamic and biogeochemical processes are closely interlinked. But interface processing rates are not only enhanced compared to the adjacent compartments that they connect; also completely different reactions might occur if certain thresholds are exceeded or the biogeochemical milieu differs significantly from the adjacent environments. Single events, temporal variability and spatial heterogeneity might increase overall processing rates of aquatic interfaces and thus, should not be neglected when studying aquatic interfaces. Aquatic interfaces are key zones relevant for the ecological state of the entire ecosystem and thus, understanding interface functioning and controls is paramount for ecosystem management.

  11. MODELING COUPLED HYDROLOGICAL AND CHEMICAL PROCESSES: LONG-TERM URANIUM TRANSPORT FOLLOWING PHOSPHOROUS-FERTILIZATION

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Contaminants in the vadose zone are affected by the physical processes of water flow, heat movement and multicomponent transport, as well as generally by a range of interacting biogeochemical processes. Coupling these various processes within one integrated numerical simulator provides a process-ba...

  12. Ozone-biological activated carbon integrated treatment for removal of precursors of halogenated nitrogenous disinfection by-products.

    PubMed

    Chu, Wenhai; Gao, Naiyun; Yin, Daqiang; Deng, Yang; Templeton, Michael R

    2012-03-01

    Pilot-scale tests were performed to reduce the formation of several nitrogenous and carbonaceous disinfection by-products (DBPs) with an integrated ozone and biological activated carbon (O(3)-BAC) treatment process following conventional water treatment processes (coagulation-sedimentation-filtration). Relative to the conventional processes alone, O(3)-BAC significantly improved the removal of turbidity, dissolved organic carbon, UV(254), NH(4)(+) and dissolved organic nitrogen from 98-99%, 58-72%, 31-53%, 16-93% and 35-74%, respectively, and enhanced the removal efficiency of the precursors for the measured DBPs. The conventional process was almost ineffective in removing the precursors of trichloronitromethane (TCNM) and dichloroacetamide (DCAcAm). Ozonation could not substantially reduce the formation of DCAcAm, and actually increased the formation potential of TCNM; it chemically altered the molecular structures of the precursors and increased the biodegradability of N-containing organic compounds. Consequently, the subsequent BAC filtration substantially reduced the formation of the both TCNM and DCAcAm, thus highlighting a synergistic effect of O(3) and BAC. Additionally, O(3)-BAC was effective at controlling the formation of the total organic halogen, which can be considered as an indicator of the formation of unidentified DBPs.

  13. Coupled model of physical and biological processes affecting maize pollination

    NASA Astrophysics Data System (ADS)

    Arritt, R.; Westgate, M.; Riese, J.; Falk, M.; Takle, E.

    2003-04-01

    Controversy over the use of genetically modified (GM) crops has led to increased interest in evaluating and controlling the potential for inadvertent outcrossing in open-pollinated crops such as maize. In response to this problem we have developed a Lagrangian model of pollen dispersion as a component of a coupled end-to-end (anther to ear) physical-biological model of maize pollination. The Lagrangian method is adopted because of its generality and flexibility: first, the method readily accommodates flow fields of arbitrary complexity; second, each element of the material being transported can be identified by its source, time of release, or other properties of interest. The latter allows pollen viability to be estimated as a function of such factors as travel time, temperature, and relative humidity, so that the physical effects of airflow and turbulence on pollen dispersion can be considered together with the biological aspects of pollen release and viability. Predicted dispersion of pollen compares well both to observations and to results from a simpler Gaussian plume model. Ability of the Lagrangian model to handle complex air flows is demonstrated by application to pollen dispersion in the vicinity of an agricultural shelter belt. We also show results indicating that pollen viability can be quantified by an "aging function" that accounts for temperature, humidity, and time of exposure.

  14. "The best is always yet to come": Relationship stages and processes among young LGBT couples.

    PubMed

    Macapagal, Kathryn; Greene, George J; Rivera, Zenaida; Mustanski, Brian

    2015-06-01

    Limited research has examined relationship development among lesbian, gay, bisexual, and transgender (LGBT) couples in emerging adulthood. A better understanding of LGBT couples can inform the development of relationship education programs that reflect their unique needs. The following questions guided this study: (a) What are the stages and processes during young LGBT couples' relationship development? and (b) How do these compare with existing literature on heterosexual adults? A secondary goal was to explore similarities and differences between couples assigned male (MAAB) and female at birth (FAAB). Thirty-six couples completed interviews on their relationship history. Qualitative analyses showed that relationship stages and processes were similar to past research on heterosexuals, but participants' subjective experiences reflected their LGBT identities and emerging adulthood, which exerted additional stress on the relationship. These factors also affected milestones indicative of commitment among heterosexual adults (e.g., introducing partner to family). Mixed methods analyses indicated that MAAB couples described negotiating relationship agreements and safe sex in more depth than FAAB couples. Relationship development models warrant modifications to consider the impact of sexual and gender identity and emerging adulthood when applied to young LGBT couples. These factors should be addressed in interventions to promote relationship health among young LGBT couples.

  15. "The best is always yet to come": Relationship stages and processes among young LGBT couples.

    PubMed

    Macapagal, Kathryn; Greene, George J; Rivera, Zenaida; Mustanski, Brian

    2015-06-01

    Limited research has examined relationship development among lesbian, gay, bisexual, and transgender (LGBT) couples in emerging adulthood. A better understanding of LGBT couples can inform the development of relationship education programs that reflect their unique needs. The following questions guided this study: (a) What are the stages and processes during young LGBT couples' relationship development? and (b) How do these compare with existing literature on heterosexual adults? A secondary goal was to explore similarities and differences between couples assigned male (MAAB) and female at birth (FAAB). Thirty-six couples completed interviews on their relationship history. Qualitative analyses showed that relationship stages and processes were similar to past research on heterosexuals, but participants' subjective experiences reflected their LGBT identities and emerging adulthood, which exerted additional stress on the relationship. These factors also affected milestones indicative of commitment among heterosexual adults (e.g., introducing partner to family). Mixed methods analyses indicated that MAAB couples described negotiating relationship agreements and safe sex in more depth than FAAB couples. Relationship development models warrant modifications to consider the impact of sexual and gender identity and emerging adulthood when applied to young LGBT couples. These factors should be addressed in interventions to promote relationship health among young LGBT couples. PMID:26053345

  16. Solute coupled diffusion in osmotically driven membrane processes.

    PubMed

    Hancock, Nathan T; Cath, Tzahi Y

    2009-09-01

    Forward osmosis (FO) is an emerging water treatment technology with potential applications in desalination and wastewater reclamation. In FO, water is extracted from a feed solution using the high osmotic pressure of a hypertonic solution that flows on the opposite side of a semipermeable membrane; however, solutes diffuse simultaneously through the membrane in both directions and may jeopardize the process. In this study, we have comprehensively explored the effects of different operating conditions on the forward diffusion of solutes commonly found in brackish water and seawater, and reverse diffusion of common draw solution solutes. Results show that reverse transport of solutes through commercially available FO membranes range between 80 mg to nearly 3,000 mg per liter of water produced. Divalent feed solutes have low permeation rates (less than 1 mmol/m2-hr) while monovalent ions and uncharged solutes exhibit higher permeation. Findings have significant implications on the performance and sustainability of the FO process.

  17. Solute coupled diffusion in osmotically driven membrane processes.

    PubMed

    Hancock, Nathan T; Cath, Tzahi Y

    2009-09-01

    Forward osmosis (FO) is an emerging water treatment technology with potential applications in desalination and wastewater reclamation. In FO, water is extracted from a feed solution using the high osmotic pressure of a hypertonic solution that flows on the opposite side of a semipermeable membrane; however, solutes diffuse simultaneously through the membrane in both directions and may jeopardize the process. In this study, we have comprehensively explored the effects of different operating conditions on the forward diffusion of solutes commonly found in brackish water and seawater, and reverse diffusion of common draw solution solutes. Results show that reverse transport of solutes through commercially available FO membranes range between 80 mg to nearly 3,000 mg per liter of water produced. Divalent feed solutes have low permeation rates (less than 1 mmol/m2-hr) while monovalent ions and uncharged solutes exhibit higher permeation. Findings have significant implications on the performance and sustainability of the FO process. PMID:19764248

  18. Diagnosing coupled watershed processes using a fully-coupled groundwater, land-surface, surface water and mesoscale atmospheric model

    NASA Astrophysics Data System (ADS)

    Maxwell, R. M.; Kollet, S. J.; Chow, F. K.

    2007-12-01

    A variably-saturated groundwater flow model with an integrated overland flow component, a land-surface model and a mesoscale atmospheric model is used to examine the interplay between coupled water and energy processes. These processes are influenced by land-surface topography and subsurface heterogeneity. This parallel, integrated model simulates spatial variations in land-surface forcing driven by three-dimensional (3D) atmospheric and subsurface components. Spatial statistics are used to demonstrate spatial and temporal correlations between surface and lower atmospheric variables and water table depth. These correlations are particularly strong during times when the land surface temperatures trigger shifts in wind behavior, such as during early morning surface heating. Additionally, spectral transforms of subsurface arrival times are computed using a transient Lagrangian transport simulation. Macrodispersion is used to mimic the effects of subsurface heterogeneity for a range of Peclet numbers. The slopes of these transforms indicate fractal scaling of this system over a range of timescales. All of these techniques point to importance of realistically representing coupled processes and the need to understand and diagnose these processes in nature. This work was conducted under the auspices of the U. S. Department of Energy by the University of California, Lawrence Livermore National Laboratory (LLNL) under contract W-7405-Eng-48. This project was funded by the Laboratory Directed Research and Development Program at LLNL

  19. Coupling between mantle and surface processes: Insights from analogue modelling

    NASA Astrophysics Data System (ADS)

    Király, Ágnes; Sembroni, Andrea; Faccenna, Claudio; Funiciello, Francesca

    2014-05-01

    Thermal or density anomalies located beneath the lithosphere are thought to generate dynamic topography. Such a topographic signal compensates the viscous stresses originating from the anomaly driven mantle flow. It has been demonstrated that the erosion modulates the dynamic signal of topography changing the uplift rate by unload. The characteristic time for adjustments of dynamic topography due to surface erosion is likely similar to post-glacial rebound time (10000 - 50000 years). Here we present preliminary results of a new set of analogue models realized to study and quantify the contribution given by erosion to dynamic topography, during a process specifically driven by a positively buoyant deep anomaly. The adopted set up consists of a Plexiglas box (40x40x50 cm3) filled with glucose syrup as analogue upper mantle. A silicon plate positioned on the top of the syrup simulates the lithosphere. On the silicone plate is placed a thin layer of a high viscous glucose syrup which reproduces the upper, erodible layer of the crust. To simulate the positively buoyant anomaly we used an elastic, undeformable silicon ball free to rise by buoyancy in the syrup until the floating silicone plate is hit. The changes in topography have been monitored by using a 3D laser scan, while a side-view camera recorded the position of the rising ball in time. Data have been post-processed with image analysis techniques (e.g., Particle Image Velocimetry) in order to obtain the evolution of topography, uplift rate, erosion patterns of the top layer, bulge width and mantle circulation during the experiment. We ran experiments with and without the shallow, erodible crustal layer in order to quantify the effect of erosion on dynamic topography. Preliminary results showed that both the maximum topography and uplift rate are inversely proportional to the lithospheric thickness. The maximum uplift rate and the deformation of the lithospheric plate occurred just before the arrival of the

  20. Parasites on parasites: Coupled fluctuations in stacked contact processes

    NASA Astrophysics Data System (ADS)

    Court, Steven J.; Blythe, Richard A.; Allen, Rosalind J.

    2013-03-01

    We present a model for host-parasite dynamics which incorporates both vertical and horizontal transmission as well as spatial structure. Our model consists of stacked contact processes (CP), where the dynamics of the host is a simple CP on a lattice while the dynamics of the parasite is a secondary CP which sits on top of the host-occupied sites. In the simplest case, where infection does not incur any cost, we uncover a novel effect: a non-monotonic dependence of parasite prevalence on host turnover. Inspired by natural examples of hyperparasitism, we extend our model to multiple levels of parasites and identify a transition between the maintenance of a finite and infinite number of levels, which we conjecture is connected to a roughening transition in models of surface growth.

  1. CO2-ECBM related coupled physical and mechanical transport processes

    NASA Astrophysics Data System (ADS)

    Gensterblum, Y.; Sartorius, M.; Busch, A.; Krooss, B. M.; Littke, R.

    2012-12-01

    The interrelation of cleat transport processes and mechanical properties was investigated by permeability tests at different stress levels (60% to 130% of in-situ stress) with sorbing (CH4, CO2) and inert gases (N2, Ar, He) on a subbituminous A coal from the Surat Basin, Queensland Australia (figure). From the flow tests under controlled triaxial stress conditions the Klinkenberg-corrected "true" permeability coefficients and the Klinkenberg slip factors were derived. The "true"-, absolute or Klinkenberg-corrected permeability depends on gas type. Following the approach of Seidle et al. (1992) the cleat volume compressibility (cf) was calculated from observed changes in apparent permeability upon variation of external stress (at equal mean gas pressures). The observed effects also show a clear dependence on gas type. Due to pore or cleat compressibility the cleat aperture decreases with increasing effective stress. Vice versa, with increasing mean pore pressure at lower confining pressure an increase in permeability is observed, which is attributed to a widening of cleat aperture. Non-sorbing gases like helium and argon show higher apparent permeabilities than sorbing gases like methane and CO2. Permeability coefficients measured with successively increasing mean gas pressures were consistently lower than those determined at decreasing mean gas pressures. The kinetics of matrix transport processes were studied by sorption tests on different particle sizes at various moisture contents and temperatures (cf. Busch et al., 2006). Methane uptake rates were determined from the pressure decline curves recorded for each particle-size fraction, and "diffusion coefficients" were calculated using several unipore and bidisperse diffusion models. While the CH4 sorption capacity of moisture-equilibrated coals was significantly lower (by 50%) than that of dry coals, no hysteresis was observed between sorption and desorption on dry and moisture-equilibrated samples and the

  2. CO2-ECBM related coupled physical and mechanical transport processes

    NASA Astrophysics Data System (ADS)

    Gensterblum, Yves; Satorius, Michael; Busch, Andreas; Krooß, Bernhard

    2013-04-01

    The interrelation of cleat transport processes and mechanical properties was investigated by permeability tests at different stress levels (60% to 130% of in-situ stress) with sorbing (CH4, CO2) and inert gases (N2, Ar, He) on a sub bituminous A coal from the Surat Basin, Queensland Australia. From the flow tests under controlled triaxial stress conditions the Klinkenberg-corrected "true" permeability coefficients and the Klinkenberg slip factors were derived. The "true"-, absolute or Klinkenberg corrected permeability shows a gas type dependence. Following the approach of Seidle et al. (1992) the cleat volume compressibility (cf) was calculated from observed changes in apparent permeability upon variation of external stress (at equal mean gas pressures). The observed effects also show a clear dependence on gas type. Due to pore or cleat compressibility the cleat aperture decreases with increasing effective stress. Vice versa we observe with increasing mean pressure at lower confining pressure an increase in permeability which we attribute to a cleat aperture widening. The cleat volume compressibility (cf) also shows a dependence on the mean pore pressure. Non-sorbing gases like helium and argon show higher apparent permeabilities than sorbing gases like methane. Permeability coefficients measured with successively increasing mean gas pressures were consistently lower than those determined at decreasing mean gas pressures. This permeability hysteresis is in accordance with results reported by Harpalani and McPherson (1985). The kinetics of matrix transport processes were studied by sorption tests on different particle sizes at various moisture contents and temperatures (cf. Busch et al., 2006). Methane uptake rates were determined from the pressure decline curves recorded for each particle-size fraction, and "diffusion coefficients" were calculated using several unipore and bidisperse diffusion models. While the CH4 sorption capacity of moisture-equilibrated coals

  3. CO2-ECBM related coupled physical and mechanical transport processes

    NASA Astrophysics Data System (ADS)

    Gensterblum, Y.; Sartorius, M.; Busch, A.; Cumming, D.; Krooss, B. M.

    2012-04-01

    The interrelation of cleat transport processes and mechanical properties was investigated by permeability tests at different stress levels (60% to 130% of in-situ stress) with sorbing (CH4, CO2) and inert gases (N2, Ar, He) on a sub bituminous A coal from the Surat Basin, Queensland Australia. From the flow tests under controlled triaxial stress conditions the Klinkenberg-corrected "true" permeability coefficients and the Klinkenberg slip factors were derived. The "true"-, absolute or Klinkenberg corrected permeability shows a gas type dependence. Following the approach of Seidle et al. (1992) the cleat volume compressibility (cf) was calculated from observed changes in apparent permeability upon variation of external stress (at equal mean gas pressures). The observed effects also show a clear dependence on gas type. Due to pore or cleat compressibility the cleat aperture decreases with increasing effective stress. Vice versa we observe with increasing mean pressure at lower confining pressure an increase in permeability which we attribute to a cleat aperture widening. The cleat volume compressibility (cf) also shows a dependence on the mean pore pressure. Non-sorbing gases like helium and argon show higher apparent permeabilities than sorbing gases like methane. Permeability coefficients measured with successively increasing mean gas pressures were consistently lower than those determined at decreasing mean gas pressures. This permeability hysteresis is in accordance with results reported by Harpalani and McPherson (1985). The kinetics of matrix transport processes were studied by sorption tests on different particle sizes at various moisture contents and temperatures (cf. Busch et al., 2006). Methane uptake rates were determined from the pressure decline curves recorded for each particle-size fraction, and "diffusion coefficients" were calculated using several unipore and bidisperse diffusion models. While the CH4 sorption capacity of moisture-equilibrated coals

  4. Panel report on coupled thermo-mechanical-hydro-chemical processes associated with a nuclear waste repository

    SciTech Connect

    Tsang, C.F.; Mangold, D.C.

    1984-07-01

    Four basic physical processes, thermal, hydrological, mechanical and chemical, are likely to occur in 11 different types of coupling during the service life of an underground nuclear waste repository. A great number of coupled processes with various degrees of importance for geological repositories were identified and arranged into these 11 types. A qualitative description of these processes and a tentative evaluation of their significance and the degree of uncertainty in prediction is given. Suggestions for methods of investigation generally include, besides theoretical work, laboratory and large scale field testing. Great efforts of a multidisciplinary nature are needed to elucidate details of several coupled processes under different temperature conditions in different geological formations. It was suggested that by limiting the maximum temperature to 100{sup 0}C in the backfill and in the host rock during the whole service life of the repository the uncertainties in prediction of long-term repository behavior might be considerably reduced.

  5. Generalizability of Gottman and Colleagues' Affective Process Models Of Couples' Relationship Outcomes

    ERIC Educational Resources Information Center

    Kim, Hyoun K.; Capaldi, Deborah M.; Crosby, Lynn

    2007-01-01

    The generalizability of the affective process models of J. M. Gottman et al. (1998) was examined using a community-based sample of 85 married or cohabiting couples with at-risk backgrounds. Predictive associations between affective processes assessed at about age 21 years and relationship status and satisfaction assessed approximately 2.5 years…

  6. Coupled finite element simulation and optimization of single- and multi-stage sheet-forming processes

    NASA Astrophysics Data System (ADS)

    Tamasco, Cynthia M.; Rais-Rohani, Masoud; Buijk, Arjaan

    2013-03-01

    This article presents the development and application of a coupled finite element simulation and optimization framework that can be used for design and analysis of sheet-forming processes of varying complexity. The entire forming process from blank gripping and deep drawing to tool release and springback is modelled. The dies, holders, punch and workpiece are modelled with friction, temperature, holder force and punch speed controlled in the process simulation. Both single- and multi-stage sheet-forming processes are investigated. Process simulation is coupled with a nonlinear gradient-based optimization approach for optimizing single or multiple design objectives with imposed sheet-forming response constraints. A MATLAB program is developed and used for data-flow management between process simulation and optimization codes. Thinning, springback, damage and forming limit diagram are used to define failure in the forming process design optimization. Design sensitivity analysis and optimization results of the example problems are presented and discussed.

  7. Flexible simulation framework to couple processes in complex 3D models for subsurface utilization assessment

    NASA Astrophysics Data System (ADS)

    Kempka, Thomas; Nakaten, Benjamin; De Lucia, Marco; Nakaten, Natalie; Otto, Christopher; Pohl, Maik; Tillner, Elena; Kühn, Michael

    2016-04-01

    Utilization of the geological subsurface for production and storage of hydrocarbons, chemical energy and heat as well as for waste disposal requires the quantification and mitigation of environmental impacts as well as the improvement of georesources utilization in terms of efficiency and sustainability. The development of tools for coupled process simulations is essential to tackle these challenges, since reliable assessments are only feasible by integrative numerical computations. Coupled processes at reservoir to regional scale determine the behaviour of reservoirs, faults and caprocks, generally demanding for complex 3D geological models to be considered besides available monitoring and experimenting data in coupled numerical simulations. We have been developing a flexible numerical simulation framework that provides efficient workflows for integrating the required data and software packages to carry out coupled process simulations considering, e.g., multiphase fluid flow, geomechanics, geochemistry and heat. Simulation results are stored in structured data formats to allow for an integrated 3D visualization and result interpretation as well as data archiving and its provision to collaborators. The main benefits in using the flexible simulation framework are the integration of data geological and grid data from any third party software package as well as data export to generic 3D visualization tools and archiving formats. The coupling of the required process simulators in time and space is feasible, while different spatial dimensions in the coupled simulations can be integrated, e.g., 0D batch with 3D dynamic simulations. User interaction is established via high-level programming languages, while computational efficiency is achieved by using low-level programming languages. We present three case studies on the assessment of geological subsurface utilization based on different process coupling approaches and numerical simulations.

  8. Benchmark initiative on coupled multiphase flow and geomechanical processes during CO2 injection

    NASA Astrophysics Data System (ADS)

    Benisch, K.; Annewandter, R.; Olden, P.; Mackay, E.; Bauer, S.; Geiger, S.

    2012-12-01

    CO2 injection into deep saline aquifers involves multiple strongly interacting processes such as multiphase flow and geomechanical deformation, which threat to the seal integrity of CO2 repositories. Coupled simulation codes are required to establish realistic prognoses of the coupled process during CO2 injection operations. International benchmark initiatives help to evaluate, to compare and to validate coupled simulation results. However, there is no published code comparison study so far focusing on the impact of coupled multiphase flow and geomechanics on the long-term integrity of repositories, which is required to obtain confidence in the predictive capabilities of reservoir simulators. We address this gap by proposing a benchmark study. A wide participation from academic and industrial institutions is sought, as the aim of building confidence in coupled simulators become more plausible with many participants. Most published benchmark studies on coupled multiphase flow and geomechanical processes have been performed within the field of nuclear waste disposal (e.g. the DECOVALEX project), using single-phase formulation only. As regards CO2 injection scenarios, international benchmark studies have been published comparing isothermal and non-isothermal multiphase flow processes such as the code intercomparison by LBNL, the Stuttgart Benchmark study, the CLEAN benchmark approach and other initiatives. Recently, several codes have been developed or extended to simulate the coupling of hydraulic and geomechanical processes (OpenGeoSys, ELIPSE-Visage, GEM, DuMuX and others), which now enables a comprehensive code comparison. We propose four benchmark tests of increasing complexity, addressing the coupling between multiphase flow and geomechanical processes during CO2 injection. In the first case, a horizontal non-faulted 2D model consisting of one reservoir and one cap rock is considered, focusing on stress and strain regime changes in the storage formation and the

  9. Coupled processes in single fractures, double fractures and fractured porous media

    SciTech Connect

    Tsang, C.F.

    1986-12-01

    The emplacement of a nuclear waste repository in a fractured porous medium provides a heat source of large dimensions over an extended period of time. It also creates a large cavity in the rock mass, changing significantly the stress field. Such major changes induce various coupled thermohydraulic, hydromechanic and hydrochemical transport processes in the environment around a nuclear waste repository. The present paper gives, first, a general overview of the coupled processes involving thermal, mechanical, hydrological and chemical effects. Then investigations of a number of specific coupled processes are described in the context of fluid flow and transport in a single fracture, two intersecting fractures and a fractured porous medium near a nuclear waste repository. The results are presented and discussed.

  10. Multi-field coupled numerical simulation of hot reversible rolling process of GCr15 steel rod

    NASA Astrophysics Data System (ADS)

    Gu, Sendong; Zhang, Liwen; Ruan, Jinhua; Mei, Hongyu; Zhen, Yu; Shi, Xinhua

    2013-05-01

    In this paper, based on rolling technology of hot reversible rolling mill, a multi-filed coupled finite element (FE) model of hot reversible rolling process of large dimension cross-section GCr15 steel rod is established. Thermal, mechanical and microstructural phenomena during the rolling process are coupled in the model. By employing grain growth experiment, double and single hit hot compression experiments, the austenite grain size growth mathematical model and recrystallization behavior mathematical models are determined. And a designed subprogram is coupled in the FE model. Actual hot reversible rolling process of GCr15 steel is simulated using the model and the distribution and evolution of different filed-variables, such as temperature, effective strain and austenite grain size are obtained. To verify the model predictions, hot rolling experiments are carried out and the temperature and microstructure of the rolling metal are compared with the predicted results. The comparison between the two sets of data shows a good agreement.

  11. Atmosphere-ocean coupled processes in the Madden-Julian oscillation

    NASA Astrophysics Data System (ADS)

    DeMott, Charlotte A.; Klingaman, Nicholas P.; Woolnough, Steven J.

    2015-12-01

    The Madden-Julian oscillation (MJO) is a convectively coupled 30-70 day (intraseasonal) tropical atmospheric mode that drives variations in global weather but which is poorly simulated in most atmospheric general circulation models. Over the past two decades, field campaigns and modeling experiments have suggested that tropical atmosphere-ocean interactions may sustain or amplify the pattern of enhanced and suppressed atmospheric convection that defines the MJO and encourage its eastward propagation through the Indian and Pacific Oceans. New observations collected during the past decade have advanced our understanding of the ocean response to atmospheric MJO forcing and the resulting intraseasonal sea surface temperature fluctuations. Numerous modeling studies have revealed a considerable impact of the mean state on MJO ocean-atmosphere coupled processes, as well as the importance of resolving the diurnal cycle of atmosphere-upper ocean interactions. New diagnostic methods provide insight to atmospheric variability and physical processes associated with the MJO but offer limited insight on the role of ocean feedbacks. Consequently, uncertainty remains concerning the role of the ocean in MJO theory. Our understanding of how atmosphere-ocean coupled processes affect the MJO can be improved by collecting observations in poorly sampled regions of MJO activity, assessing oceanic and atmospheric drivers of surface fluxes, improving the representation of upper ocean mixing in coupled model simulations, designing model experiments that minimize mean state differences, and developing diagnostic tools to evaluate the nature and role of coupled ocean-atmosphere processes over the MJO cycle.

  12. Negotiating couplehood: the process of resolving the December dilemma among interfaith couples.

    PubMed

    Horowitz, J A

    1999-01-01

    Christmas forces interfaith couples to address questions concerning holiday observances. The purpose of this investigation was to explore the experience of the "December dilemma," that is, the experience of Christmas and Hanukah among couples in which one partner is Jewish. A qualitative design based on the continuous comparison method of Grounded Theory analysis was used. Participants were solicited through interfaith couples' programs, referral, and snowballing. Unstructured interactive interviews of 22 couples were audiotaped, transcribed, and analyzed. The categories generated were: Ghosts of Christmas and Hanukah Past, Coming Together, and Holiday Observances as a Couple. The basic problem facing these couples was how to bridge religious backgrounds with differing holiday traditions in a way that integrated respect for each partner's needs, heritage, and identity. The basic social process of negotiating "couplehood," that is, moving from individuality to partnership emerged when mutual agreement could be reached to solve problems about how to celebrate the December holidays. The data indicated that exploration of the ways these couples managed the dilemmas created by the December holidays provided a window to how they negotiated other challenges in their relationships.

  13. Differences in Pornography Use Among Couples: Associations with Satisfaction, Stability, and Relationship Processes.

    PubMed

    Willoughby, Brian J; Carroll, Jason S; Busby, Dean M; Brown, Cameron C

    2016-01-01

    The present study utilized a sample of 1755 adult couples in heterosexual romantic relationships to examine how different patterns of pornography use between romantic partners may be associated with relationship outcomes. While pornography use has been generally associated with some negative and some positive couple outcomes, no study has yet explored how differences between partners may uniquely be associated with relationship well-being. Results suggested that greater discrepancies between partners in pornography use were related to less relationship satisfaction, less stability, less positive communication, and more relational aggression. Mediation analyses suggested that greater pornography use discrepancies were primarily associated with elevated levels of male relational aggression, lower female sexual desire, and less positive communication for both partners which then predicted lower relational satisfaction and stability for both partners. Results generally suggest that discrepancies in pornography use at the couple level are related to negative couple outcomes. Specifically, pornography differences may alter specific couple interaction processes which, in turn, may influence relationship satisfaction and stability. Implications for scholars and clinicians interested in how pornography use is associated with couple process are discussed.

  14. Differences in Pornography Use Among Couples: Associations with Satisfaction, Stability, and Relationship Processes.

    PubMed

    Willoughby, Brian J; Carroll, Jason S; Busby, Dean M; Brown, Cameron C

    2016-01-01

    The present study utilized a sample of 1755 adult couples in heterosexual romantic relationships to examine how different patterns of pornography use between romantic partners may be associated with relationship outcomes. While pornography use has been generally associated with some negative and some positive couple outcomes, no study has yet explored how differences between partners may uniquely be associated with relationship well-being. Results suggested that greater discrepancies between partners in pornography use were related to less relationship satisfaction, less stability, less positive communication, and more relational aggression. Mediation analyses suggested that greater pornography use discrepancies were primarily associated with elevated levels of male relational aggression, lower female sexual desire, and less positive communication for both partners which then predicted lower relational satisfaction and stability for both partners. Results generally suggest that discrepancies in pornography use at the couple level are related to negative couple outcomes. Specifically, pornography differences may alter specific couple interaction processes which, in turn, may influence relationship satisfaction and stability. Implications for scholars and clinicians interested in how pornography use is associated with couple process are discussed. PMID:26228990

  15. Modeling Coupled THM Processes and Brine Migration in Salt at High Temperatures

    SciTech Connect

    Rutqvist, Jonny; Blanco-Martin, Laura; Molins, Sergi; Trebotich, David; Birkholzer, Jens

    2015-09-01

    In this report, we present FY2015 progress by Lawrence Berkeley National Laboratory (LBNL) related to modeling of coupled thermal-hydrological-mechanical-chemical (THMC) processes in salt and their effect on brine migration at high temperatures. This is a combined milestone report related to milestone Salt R&D Milestone “Modeling Coupled THM Processes and Brine Migration in Salt at High Temperatures” (M3FT-15LB0818012) and the Salt Field Testing Milestone (M3FT-15LB0819022) to support the overall objectives of the salt field test planning.

  16. Coupling pre-mRNA processing to transcription on the RNA factory assembly line

    PubMed Central

    Lee, Kuo-Ming; Tarn, Woan-Yuh

    2013-01-01

    It has been well-documented that nuclear processing of primary transcripts of RNA polymerase II occurs co-transcriptionally and is functionally coupled to transcription. Moreover, increasing evidence indicates that transcription influences pre-mRNA splicing and even several post-splicing RNA processing events. In this review, we discuss the issues of how RNA polymerase II modulates co-transcriptional RNA processing events via its carboxyl terminal domain, and the protein domains involved in coupling of transcription and RNA processing events. In addition, we describe how transcription influences the expression or stability of mRNAs through the formation of distinct mRNP complexes. Finally, we delineate emerging findings that chromatin modifications function in the regulation of RNA processing steps, especially splicing, in addition to transcription. Overall, we provide a comprehensive view that transcription could integrate different control systems, from epigenetic to post-transcriptional control, for efficient gene expression. PMID:23392244

  17. Linking Tectonics and Surface Processes through SNAC-CHILD Coupling: Preliminary Results Towards Interoperable Modeling Frameworks

    NASA Astrophysics Data System (ADS)

    Choi, E.; Kelbert, A.; Peckham, S. D.

    2014-12-01

    We demonstrate that code coupling can be an efficient and flexible method for modeling complicated two-way interactions between tectonic and surface processes with SNAC-CHILD coupling as an example. SNAC is a deep earth process model (a geodynamic/tectonics model), built upon a scientific software framework called StGermain and also compatible with a model coupling framework called Pyre. CHILD is a popular surface process model (a landscape evolution model), interfaced to the CSDMS (Community Surface Dynamics Modeling System) modeling framework. We first present proof-of-concept but non-trivial results from a simplistic coupling scheme. We then report progress towards augmenting SNAC with a Basic Model Interface (BMI), a framework-agnostic standard interface developed by CSDMS that uses the CSDMS Standard Names as controlled vocabulary for model communication across domains. Newly interfaced to BMI, SNAC will be easily coupled with CHILD as well as other BMI-compatible models. In broader context, this work will test BMI as a general and easy-to-implement mechanism for sharing models between modeling frameworks and is a part of the NSF-funded EarthCube Building Blocks project, "Earth System Bridge: Spanning Scientific Communities with Interoperable Modeling Frameworks."

  18. A Coupled Modeling Approach for Root-Soil Interaction Processes Using DuMuX

    NASA Astrophysics Data System (ADS)

    Schröder, N.; Helmig, R.; Flemisch, B.; Koch, T.

    2015-12-01

    The water and nutrient uptake of plant roots in soils have a crucial influence on soil physical processes. The interacting processes between plant roots and soil are important for several agricultural problems, for example water management or leaching of pesticides. However, the coupled mechanisms of local soil and root water flow, transport of dissolved substances, root growth, and root uptake are difficult to measure and thus experimental data are rare. Numerical models can be used to understand these complex soil-root systems and help to analyze and interpret experimental measurements. The model approach presented here couples a root system and a soil model. Crucial for this approach is the 1D-3D grid coupling which combines a 1D network grid (root system) with the 3D soil grid. Based on that grid coupling, local processes are defined, for instance the local water uptake of a single root segment. Here, the interface conditions between roots and soil play a major role and we use local grid refinement strategies to better resolve these interface processes. This grid refinement of the 3D soil grid is based on the root network (1D grid) and adapts if root growth occurs. It offers the possibility to describe processes in the soil-plant continuum in a more physical manner avoiding empirical descriptions of root water uptake as a function of bulk matric potential, osmotic potential, root length density, and transpiration rate. Our coupling approach is included into the framework of DuMux, an open-source simulator for flow and transport processes in porous media. This implementation combines biological, chemical and physical processes in soil, inside roots, and at root-soil interfaces, and is contained in a sustainable and consistent framework for the implementation. We will show example simulations describing water flow, solute transport and root growth in a soil-root system.

  19. Multi-Region Boundary Element Analysis for Coupled Thermal-Fracturing Processes in Geomaterials

    NASA Astrophysics Data System (ADS)

    Shen, Baotang; Kim, Hyung-Mok; Park, Eui-Seob; Kim, Taek-Kon; Wuttke, Manfred W.; Rinne, Mikael; Backers, Tobias; Stephansson, Ove

    2013-01-01

    This paper describes a boundary element code development on coupled thermal-mechanical processes of rock fracture propagation. The code development was based on the fracture mechanics code FRACOD that has previously been developed by Shen and Stephansson (Int J Eng Fracture Mech 47:177-189, 1993) and FRACOM (A fracture propagation code—FRACOD, User's manual. FRACOM Ltd. 2002) and simulates complex fracture propagation in rocks governed by both tensile and shear mechanisms. For the coupled thermal-fracturing analysis, an indirect boundary element method, namely the fictitious heat source method, was implemented in FRACOD to simulate the temperature change and thermal stresses in rocks. This indirect method is particularly suitable for the thermal-fracturing coupling in FRACOD where the displacement discontinuity method is used for mechanical simulation. The coupled code was also extended to simulate multiple region problems in which rock mass, concrete linings and insulation layers with different thermal and mechanical properties were present. Both verification and application cases were presented where a point heat source in a 2D infinite medium and a pilot LNG underground cavern were solved and studied using the coupled code. Good agreement was observed between the simulation results, analytical solutions and in situ measurements which validates an applicability of the developed coupled code.

  20. Childhood Emotional Abuse and Attachment Processes in the Dyadic Adjustment of Dating Couples

    ERIC Educational Resources Information Center

    Riggs, Shelley A.; Cusimano, Angela M.; Benson, Karen M.

    2011-01-01

    In an effort to improve understanding of the mechanisms that link early maltreatment to later outcomes, this study investigated the mediation effects of adult attachment processes on the association between childhood emotional abuse and later romantic relationships among heterosexual couples. College students and their dating partners (N = 310;…

  1. Multilevel Modeling of Two Cyclical Processes: Extending Differential Structural Equation Modeling to Nonlinear Coupled Systems

    ERIC Educational Resources Information Center

    Butner, Jonathan; Amazeen, Polemnia G.; Mulvey, Genna M.

    2005-01-01

    The authors present a dynamical multilevel model that captures changes over time in the bidirectional, potentially asymmetric influence of 2 cyclical processes. S. M. Boker and J. Graham's (1998) differential structural equation modeling approach was expanded to the case of a nonlinear coupled oscillator that is common in bimanual coordination…

  2. Forming limits in the hole-flanging process by coupled and uncoupled damage models

    NASA Astrophysics Data System (ADS)

    Kacem, A.; Jégat, A.; Krichen, A.; Manach, P. Y.

    2013-12-01

    The aim of this work is to identify the limits of the hole-flanging process under different conditions. A 3D finite element model was developed to predict failure in hole-flanging process for sheet aluminium alloys. The Gurson-Tvergaard-Needleman (GTN) coupled damage model and the Bao-Wierzbicki (BW) uncoupled damage model were used. The parameters of both coupled and uncoupled models were identified by inverse analysis based on uniaxial tensile test. Experiments were conducted to analyse the types of failure that appear during the process. Numerical results were compared with experimental datas to check the validity of both models in predicting failure during the hole-flanging process. The comparative study showed that the GTN model predicts more accurately almost all types of failure while fracture occurrence can be only predicted by the BW model.

  3. Numerical methods for TVD transport and coupled relaxing processes in gases and plasmas

    NASA Technical Reports Server (NTRS)

    Cambier, Jean-Luc

    1990-01-01

    The construction of second-order upwind schemes for nonequilibrium plasmas, for both one- and two-fluid formulations is demonstrated. Coupled relaxation processes, including ionization kinetics and radiative processes and their algorithms for nonequilibrium, multiple temperature conditions are described as well. The paper applies the numerical techniques on some simple test cases, points out critical problems and their solutions, and makes qualitative comparisons with known results, whenever possible.

  4. Process research on Emotionally Focused Therapy (EFT) for couples: linking theory to practice.

    PubMed

    Greenman, Paul S; Johnson, Susan M

    2013-03-01

    The focus of this article is on the link among theory, process, and outcome in the practice of Emotionally Focused Therapy (EFT) for couples. We describe the EFT model of change and the EFT perspective on adult love as the reflection of underlying attachment processes. We outline the manner in which theory and research inform EFT interventions. This leads into a detailed review of the literature on the processes of change in EFT. We highlight the client responses and therapist operations that have emerged from process research and their relation to treatment outcomes. We discuss the implications of this body of research for clinical practice and training.

  5. Can neutron stars have auroras ? : electromagnetic coupling process between neutron star and magnetized accretion disk

    NASA Astrophysics Data System (ADS)

    Kimura, T.; Iwakiri, W. B.; Enoto, T.; Wada, T.; Tao, C.

    2015-12-01

    In the binary neutron star system, angular momentum transfer from accretion disk to a star is essential process for spin-up/down of stars. The angular momentum transfer has been well formulated for the accretion disk strongly magnetized by the neutron star [e.g., Ghosh and Lamb, 1978, 1979a, b]. However, the electromagnetic (EM) coupling between the neutron star and accretion disk has not been self-consistently solved in the previous studies although the magnetic field lines from the star are strongly tied with the accretion disk. In this study, we applied the planet-magnetosphere coupling process established for Jupiter [Hill, 1979] to the binary neutron star system. Angular momentum distribution is solved based on the torque balance between the neutron star's surface and accretion disk coupled by the magnetic field tensions. We found the EM coupling can transfer significantly larger fraction of the angular momentum from the magnetized accretion disk to the star than the unmagnetized case. The resultant spin-up rate is estimated to ~10^-14 [sec/sec] for the nominal binary system parameters, which is comparable with or larger than the other common spin-down/up processes: e.g., the magnetic dipole radiation spin-down. The Joule heating energy dissipated in the EM coupling is estimated to be up to ~10^36 [erg/sec] for the nominal binary system parameters. The release is comparable to that of gravitation energy directly caused by the matters accreting onto the neutron star. This suggests the EM coupling at the neutron star can accompany the observable radiation as auroras with a similar manner to those at the rotating planetary magnetospheres like Jupiter, Saturn, and other gas giants.

  6. Advances in Coupling of Kinetics and Molecular Scale Tools to Shed Light on Soil Biogeochemical Processes

    SciTech Connect

    Sparks, Donald

    2014-09-02

    Biogeochemical processes in soils such as sorption, precipitation, and redox play critical roles in the cycling and fate of nutrients, metal(loid)s and organic chemicals in soil and water environments. Advanced analytical tools enable soil scientists to track these processes in real-time and at the molecular scale. Our review focuses on recent research that has employed state-of-the-art molecular scale spectroscopy, coupled with kinetics, to elucidate the mechanisms of nutrient and metal(loid) reactivity and speciation in soils. We found that by coupling kinetics with advanced molecular and nano-scale tools major advances have been made in elucidating important soil chemical processes including sorption, precipitation, dissolution, and redox of metal(loids) and nutrients. Such advances will aid in better predicting the fate and mobility of nutrients and contaminants in soils and water and enhance environmental and agricultural sustainability.

  7. A model-free definition of coupling strength for assessing the influence between climatic processes

    NASA Astrophysics Data System (ADS)

    Runge, J.; Kurths, J.

    2012-04-01

    Assessing the strength of influence between climatic processes from observational data is an important problem on the way to construct conceptual models or make predictions. An example being the influence of ENSO on the Indian Monsoon compared to the influence of other climatic processes. It is an especially difficult task if the interactions are nonlinear where linear measures like the Pearson correlation coefficient fail. Apart from nonlinearity, auto-dependencies in the processes can lead to misleading high values of coupling strength. There exist statistical methods that address these issues, but most of them assume some model, e.g., a linear model in the case of the partial correlation. We propose a measure based on conditional mutual information that makes no assumptions on the underlying model and is able to exclude auto-dependencies and even influences of external processes. We investigate how the strength measured relates to model systems where a coupling strength is known and discuss its limitations. The measure is applied to time series of different climate indices and gridded data sets to gain insights into the coupling strength between climatic teleconnections. Applied to more than two time series it is also able to shed light on mechanisms of interactions between multiple processes.

  8. Hybrid models for the simulation of microstructural evolution influenced by coupled, multiple physical processes.

    SciTech Connect

    Tikare, Veena; Hernandez-Rivera, Efrain; Madison, Jonathan D.; Holm, Elizabeth Ann; Patterson, Burton R.; Homer, Eric R.

    2013-09-01

    Most materials microstructural evolution processes progress with multiple processes occurring simultaneously. In this work, we have concentrated on the processes that are active in nuclear materials, in particular, nuclear fuels. These processes are coarsening, nucleation, differential diffusion, phase transformation, radiation-induced defect formation and swelling, often with temperature gradients present. All these couple and contribute to evolution that is unique to nuclear fuels and materials. Hybrid model that combines elements from the Potts Monte Carlo, phase-field models and others have been developed to address these multiple physical processes. These models are described and applied to several processes in this report. An important feature of the models developed are that they are coded as applications within SPPARKS, a Sandiadeveloped framework for simulation at the mesoscale of microstructural evolution processes by kinetic Monte Carlo methods. This makes these codes readily accessible and adaptable for future applications.

  9. 3D modelling of coupled mass and heat transfer of a convection-oven roasting process.

    PubMed

    Feyissa, Aberham Hailu; Gernaey, Krist V; Adler-Nissen, Jens

    2013-04-01

    A 3D mathematical model of coupled heat and mass transfer describing oven roasting of meat has been developed from first principles. The proposed mechanism for the mass transfer of water is modified and based on a critical literature review of the effect of heat on meat. The model equations are based on a conservation of mass and energy, coupled through Darcy's equations of porous media - the water flow is mainly pressure-driven. The developed model together with theoretical and experimental assessments were used to explain the heat and water transport and the effect of the change in microstructure (permeability, water binding capacity and elastic modulus) that occur during the meat roasting process. The developed coupled partial differential equations were solved by using COMSOL Multiphysics®3.5 and state variables are predicted as functions of both position and time. The proposed mechanism was partially validated by experiments in a convection oven where temperatures were measured online.

  10. Modeling the Actions of β-Adrenergic Signaling on Excitation–Contraction Coupling Processes

    PubMed Central

    GREENSTEIN, JOSEPH L.; TANSKANEN, ANTTI J.; WINSLOW, RAIMOND L.

    2005-01-01

    Activation of the β-adrenergic (β-AR) signaling pathway enhances cardiac function through protein kinase A (PKA)–mediated phosphorylation of target proteins involved in the process of excitation–contraction (EC) coupling. Experimental studies of the effects of β-AR stimulation on EC coupling have yielded complex results, including increased, decreased, or unchanged EC coupling gain. In this study, we extend a previously developed model of the canine ventricular myocyte describing local control of sarcoplasmic reticulum (SR) calcium (Ca2+) release to include the effects of β-AR stimulation. Incorporation of phosphorylation-dependent effects on model membrane currents and Ca2+-cycling proteins yields changes of action potential (AP) and Ca2+ transients in agreement with those measured experimentally in response to the nonspecific β-AR agonist isoproterenol (ISO). The model reproduces experimentally observed alterations in EC coupling gain in response to β-AR agonists and predicts the specific roles of L-type Ca2+ channel (LCC) and SR Ca2+ release channel phosphorylation in altering the amplitude and shape of the EC coupling gain function. The model also indicates that factors that promote mode 2 gating of LCCs, such as β-AR stimulation or activation of the Ca2+/calmodulin-dependent protein kinase II (CaMKII), may increase the probability of occurrence of early after-depolarizations (EADs), due to the random, long-duration opening of LCC gating in mode 2. PMID:15201146

  11. Coupled discrete element and smoothed particle hydrodynamics simulations of the die filling process

    NASA Astrophysics Data System (ADS)

    Breinlinger, Thomas; Kraft, Torsten

    2015-08-01

    Die filling is an important part of the powder compaction process chain, where defects in the final part can be introduced—or prevented. Simulation of this process is therefore a goal for many part producers and has been studied by some researchers already. In this work, we focus on the influence of the surrounding air on the powder flow. We demonstrate the implementing and coupling of the discrete element method for the granular powder and the smoothed particle hydrodynamics method for the gas flow. Application of the method to the die filling process is demonstrated.

  12. Coupled discrete element and smoothed particle hydrodynamics simulations of the die filling process

    NASA Astrophysics Data System (ADS)

    Breinlinger, Thomas; Kraft, Torsten

    2016-11-01

    Die filling is an important part of the powder compaction process chain, where defects in the final part can be introduced—or prevented. Simulation of this process is therefore a goal for many part producers and has been studied by some researchers already. In this work, we focus on the influence of the surrounding air on the powder flow. We demonstrate the implementing and coupling of the discrete element method for the granular powder and the smoothed particle hydrodynamics method for the gas flow. Application of the method to the die filling process is demonstrated.

  13. Ultrafast spin exchange-coupling torque via photo-excited charge-transfer processes

    DOE PAGESBeta

    Ma, X.; Fang, F.; Li, Q.; Zhu, J.; Yang, Y.; Wu, Y. Z.; Zhao, H. B.; Lüpke, G.

    2015-10-28

    In this study, optical control of spin is of central importance in the research of ultrafast spintronic devices utilizing spin dynamics at short time scales. Recently developed optical approaches such as ultrafast demagnetization, spin-transfer and spin-orbit torques open new pathways to manipulate spin through its interaction with photon, orbit, charge or phonon. However, these processes are limited by either the long thermal recovery time or the low-temperature requirement. Here we experimentally demonstrate ultrafast coherent spin precession via optical charge-transfer processes in the exchange-coupled Fe/CoO system at room temperature. The efficiency of spin precession excitation is significantly higher and the recoverymore » time of the exchange-coupling torque is much shorter than for the demagnetization procedure, which is desirable for fast switching. The exchange coupling is a key issue in spin valves and tunnelling junctions, and hence our findings will help promote the development of exchange-coupled device concepts for ultrafast coherent spin manipulation.« less

  14. Ultrafast spin exchange-coupling torque via photo-excited charge-transfer processes

    SciTech Connect

    Ma, X.; Fang, F.; Li, Q.; Zhu, J.; Yang, Y.; Wu, Y. Z.; Zhao, H. B.; Lüpke, G.

    2015-10-28

    In this study, optical control of spin is of central importance in the research of ultrafast spintronic devices utilizing spin dynamics at short time scales. Recently developed optical approaches such as ultrafast demagnetization, spin-transfer and spin-orbit torques open new pathways to manipulate spin through its interaction with photon, orbit, charge or phonon. However, these processes are limited by either the long thermal recovery time or the low-temperature requirement. Here we experimentally demonstrate ultrafast coherent spin precession via optical charge-transfer processes in the exchange-coupled Fe/CoO system at room temperature. The efficiency of spin precession excitation is significantly higher and the recovery time of the exchange-coupling torque is much shorter than for the demagnetization procedure, which is desirable for fast switching. The exchange coupling is a key issue in spin valves and tunnelling junctions, and hence our findings will help promote the development of exchange-coupled device concepts for ultrafast coherent spin manipulation.

  15. Ultrafast spin exchange-coupling torque via photo-excited charge-transfer processes

    PubMed Central

    Ma, X.; Fang, F.; Li, Q.; Zhu, J.; Yang, Y.; Wu, Y. Z.; Zhao, H. B.; Lüpke, G.

    2015-01-01

    Optical control of spin is of central importance in the research of ultrafast spintronic devices utilizing spin dynamics at short time scales. Recently developed optical approaches such as ultrafast demagnetization, spin-transfer and spin-orbit torques open new pathways to manipulate spin through its interaction with photon, orbit, charge or phonon. However, these processes are limited by either the long thermal recovery time or the low-temperature requirement. Here we experimentally demonstrate ultrafast coherent spin precession via optical charge-transfer processes in the exchange-coupled Fe/CoO system at room temperature. The efficiency of spin precession excitation is significantly higher and the recovery time of the exchange-coupling torque is much shorter than for the demagnetization procedure, which is desirable for fast switching. The exchange coupling is a key issue in spin valves and tunnelling junctions, and hence our findings will help promote the development of exchange-coupled device concepts for ultrafast coherent spin manipulation. PMID:26508587

  16. Integrated Modeling and Experiments to Characterize Coupled Thermo-hydro-geomechanical-chemical processes in Hydraulic Fracturing

    NASA Astrophysics Data System (ADS)

    Viswanathan, H. S.; Carey, J. W.; Karra, S.; Porter, M. L.; Rougier, E.; Kang, Q.; Makedonska, N.; Hyman, J.; Jimenez Martinez, J.; Frash, L.; Chen, L.

    2015-12-01

    Hydraulic fracturing phenomena involve fluid-solid interactions embedded within coupled thermo-hydro-mechanical-chemical (THMC) processes over scales from microns to tens of meters. Feedbacks between processes result in complex dynamics that must be unraveled if one is to predict and, in the case of unconventional resources, facilitate fracture propagation, fluid flow, and interfacial transport processes. The proposed work is part of a broader class of complex systems involving coupled fluid flow and fractures that are critical to subsurface energy issues, such as shale oil, geothermal, carbon sequestration, and nuclear waste disposal. We use unique LANL microfluidic and triaxial core flood experiments integrated with state-of-the-art numerical simulation to reveal the fundamental dynamics of fracture-fluid interactions to characterize the key coupled processes that impact hydrocarbon production. We are also comparing CO2-based fracturing and aqueous fluids to enhance production, greatly reduce waste water, while simultaneously sequestering CO2. We will show pore, core and reservoir scale simulations/experiments that investigate the contolling mechanisms that control hydrocarbon production.

  17. Understanding Coupled Earth-Surface Processes through Experiments and Models (Invited)

    NASA Astrophysics Data System (ADS)

    Overeem, I.; Kim, W.

    2013-12-01

    Traditionally, both numerical models and experiments have been purposefully designed to ';isolate' singular components or certain processes of a larger mountain to deep-ocean interconnected source-to-sink (S2S) transport system. Controlling factors driven by processes outside of the domain of immediate interest were treated and simplified as input or as boundary conditions. Increasingly, earth surface processes scientists appreciate feedbacks and explore these feedbacks with more dynamically coupled approaches to their experiments and models. Here, we discuss key concepts and recent advances made in coupled modeling and experimental setups. In addition, we emphasize challenges and new frontiers to coupled experiments. Experiments have highlighted the important role of self-organization; river and delta systems do not always need to be forced by external processes to change or develop characteristic morphologies. Similarly modeling f.e. has shown that intricate networks in tidal deltas are stable because of the interplay between river avulsions and the tidal current scouring with both processes being important to develop and maintain the dentritic networks. Both models and experiment have demonstrated that seemingly stable systems can be perturbed slightly and show dramatic responses. Source-to-sink models were developed for both the Fly River System in Papua New Guinea and the Waipaoa River in New Zealand. These models pointed to the importance of upstream-downstream effects and enforced our view of the S2S system as a signal transfer and dampening conveyor belt. Coupled modeling showed that deforestation had extreme effects on sediment fluxes draining from the catchment of the Waipaoa River in New Zealand, and that this increase in sediment production rapidly shifted the locus of offshore deposition. The challenge in designing coupled models and experiments is both technological as well as intellectual. Our community advances to make numerical model coupling more

  18. Coupled hydro-mechanical processes in crytalline rock and ininduratedand plastic clays: A comparative discussion

    SciTech Connect

    Tsang, Chin-Fu; Blumling, Peter; Bernier, Frederic

    2006-02-15

    This paper provides a comparative discussion of coupledhydromechanical processes in three different geological formations:crystalline rock, plastic clay, and indurated clay. First, the importantprocesses and associated property characteristics in the three rock typesare discussed. Then, one particular hydromechanical coupling is broughtup for detailed consideration, that of pore pressure changes in nearbyrock during tunnel excavation. Three field experiments in the three rocktypes are presented and their results are discussed. It is shown that themain physical processes are common to all three rock types, but with verydifferent time constants. The different issues raised by these cases arepointed out, and the transferable lessons learned are identified. Suchcross fertilization and simultaneous understanding of coupled processesin three very different rock types help to greatly enhance confidence inthe state of science in this field.

  19. Vibronic coupling simulations for linear and nonlinear optical processes: Simulation results

    NASA Astrophysics Data System (ADS)

    Silverstein, Daniel W.; Jensen, Lasse

    2012-02-01

    A vibronic coupling model based on time-dependent wavepacket approach is applied to simulate linear optical processes, such as one-photon absorbance and resonance Raman scattering, and nonlinear optical processes, such as two-photon absorbance and resonance hyper-Raman scattering, on a series of small molecules. Simulations employing both the long-range corrected approach in density functional theory and coupled cluster are compared and also examined based on available experimental data. Although many of the small molecules are prone to anharmonicity in their potential energy surfaces, the harmonic approach performs adequately. A detailed discussion of the non-Condon effects is illustrated by the molecules presented in this work. Linear and nonlinear Raman scattering simulations allow for the quantification of interference between the Franck-Condon and Herzberg-Teller terms for different molecules.

  20. A staggered coupling strategy for the finite element analysis of warm deep drawing process

    NASA Astrophysics Data System (ADS)

    Martins, J. M. P.; Cunha, P. M.; Neto, D. M.; Alves, J. L.; Oliveira, M. C.; Laurent, H.; Menezes, L. F.

    2016-08-01

    The thermomechanical finite element analysis of warm forming processes enables an improved comprehension of the process parameters affecting the material formability. However, the thermal and mechanical coupling problem is still a challenge from the computational standpoint. A staggered strategy for the thermomechanical coupling problem is presented in this study, which is based on an isothermal split approach and allows the treatment of the two problems separately. The exchange of information between the mechanical and the thermal problem is performed to achieve a compromise between computational cost and accuracy. The proposed algorithm was implemented in DD3IMP in-house finite element code. Its performance is analysed and compared with a classical strategy commonly employed for solving thermomechanical problems.

  1. High Efficiency Coupling of Optical Fibres with SU8 Micro-droplet Using Laser Welding Process

    NASA Astrophysics Data System (ADS)

    Yardi, Seema; Gupta, Ankur; Sundriyal, Poonam; Bhatt, Geeta; Kant, Rishi; Boolchandani, D.; Bhattacharya, Shantanu

    2016-09-01

    Apart from micro- structure fabrication, ablation, lithography etc., lasers find a lot of utility in various areas like precision joining, device fabrication, local heat delivery for surface texturing and local change of microstructure fabrication of standalone optical micro-devices (like microspheres, micro-prisms, micro-scale ring resonators, optical switches etc). There is a wide utility of such systems in chemical/ biochemical diagnostics and also communications where the standalone optical devices exist at a commercial scale but chip based devices with printed optics are necessary due to coupling issues between printed structures and external optics. This paper demonstrates a novel fabrication strategy used to join standalone optical fibres to microchip based printed optics using a simple SU8 drop. The fabrication process is deployed for fiber to fiber optical coupling and coupling between fiber and printed SU-8 waveguides. A CO2 laser is used to locally heat the coupling made up of SU8 material. Optimization of various dimensional parameters using design of experiments (DOE) on the bonded assembly has been performed as a function of laser power, speed, cycle control, spot size so on so forth. Exclusive optical [RF] modelling has been performed to estimate the transmissibility of the optical fibers bonded to each other on a surface with SU8. Our studies indicate the formation of a Whispering gallery mode (WGM) across the micro-droplet leading to high transmissibility of the signal. Through this work we have thus been able to develop a method of fabrication for optical coupling of standalone fibers or coupling of on-chip optics with off-chip illumination/detection.

  2. Modeling Coupled THMC Processes and Brine Migration in Salt at High Temperatures

    SciTech Connect

    Rutqvist, Jonny; Blanco Martin, Laura; Mukhopadhyay, Sumit; Houseworth, Jim; Birkholzer, Jens

    2014-08-14

    In this report, we present FY2014 progress by Lawrence Berkeley National Laboratory (LBNL) related to modeling of coupled thermal-hydrological-mechanical-chemical (THMC) processes in salt and their effect on brine migration at high temperatures. LBNL’s work on the modeling of coupled THMC processes in salt was initiated in FY2012, focusing on exploring and demonstrating the capabilities of an existing LBNL modeling tool (TOUGH-FLAC) for simulating temperature-driven coupled flow and geomechanical processes in salt. This work includes development related to, and implementation of, essential capabilities, as well as testing the model against relevant information and published experimental data related to the fate and transport of water. we provide more details on the FY2014 work, first presenting updated tools and improvements made to the TOUGH-FLAC simulator, and the use of this updated tool in a new model simulation of long-term THM behavior within a generic repository in a salt formation. This is followed by the description of current benchmarking and validations efforts, including the TSDE experiment. We then present the current status in the development of constitutive relationships and the dual-continuum model for brine migration. We conclude with an outlook for FY2015, which will be much focused on model validation against field experiments and on the use of the model for the design studies related to a proposed heater experiment.

  3. Coupling of geochemical and multiphase flow processes for validation of the MUFITS reservoir simulator against TOUGHREACT

    NASA Astrophysics Data System (ADS)

    De Lucia, Marco; Kempka, Thomas; Afanasyev, Andrey; Melnik, Oleg; Kühn, Michael

    2016-04-01

    Coupled reactive transport simulations, especially in heterogeneous settings considering multiphase flow, are extremely time consuming and suffer from significant numerical issues compared to purely hydrodynamic simulations. This represents a major hurdle in the assessment of geological subsurface utilization, since it constrains the practical application of reactive transport modelling to coarse spatial discretization or oversimplified geological settings. In order to overcome such limitations, De Lucia et al. [1] developed and validated a one-way coupling approach between geochemistry and hydrodynamics, which is particularly well suited for CO2 storage simulations, while being of general validity. In the present study, the models used for the validation of the one-way coupling approach introduced by De Lucia et al. (2015), and originally performed with the TOUGHREACT simulator, are transferred to and benchmarked against the multiphase reservoir simulator MUFITS [2]. The geological model is loosely inspired by an existing CO2 storage site. Its grid comprises 2,950 elements enclosed in a single layer, but reflecting a realistic three-dimensional anticline geometry. For the purpose of this comparison, homogeneous and heterogeneous scenarios in terms of porosity and permeability were investigated. In both cases, the results of the MUFITS simulator are in excellent agreement with those produced with the fully-coupled TOUGHREACT simulator, while profiting from significantly higher computational performance. This study demonstrates how a computationally efficient simulator such as MUFITS can be successfully included in a coupled process simulation framework, and also suggests ameliorations and specific strategies for the coupling of chemical processes with hydrodynamics and heat transport, aiming at tackling geoscientific problems beyond the storage of CO2. References [1] De Lucia, M., Kempka, T., and Kühn, M. A coupling alternative to reactive transport simulations

  4. Redox and redox-coupled processes of heme proteins and enzymes at electrochemical interfaces.

    PubMed

    Murgida, Daniel H; Hildebrandt, Peter

    2005-11-21

    Modern bioelectrochemical methods rely upon the immobilisation of redox proteins and enzymes on electrodes coated with biocompatible materials to prevent denaturation. However, even when protein denaturation is effectively avoided, heterogeneous protein electron transfer is often coupled to non-Faradaic processes like reorientation, conformational transitions or acid-base equilibria. Disentangling these processes requires methods capable of probing simultaneously the structure and reaction dynamics of the adsorbed species. Here we provide an overview of the recent developments in Raman and infrared surface-enhanced spectroelectrochemical techniques applied to the study of soluble and membrane bound redox heme proteins and enzymes. Possible biological implications of the findings are critically discussed.

  5. Coupled simulation of an electromagnetic heating process using the finite difference time domain method.

    PubMed

    Chen, Hao; Tang, Juming; Liu, Fang

    2007-01-01

    Due to the complexity of interactions between microwaves and food products, a reliable and efficient simulation model can be a very useful tool to guide the design of microwave heating systems and processes. This research developed a model to simulate coupled phenomena of electromagnetic heating and conventional heat transfer by combining commercial electromagnetic software with a customer built heat transfer model. Simulation results were presented and compared with experimental results for hot water and microwave heating in a single mode microwave system at 915 MHz. Good agreement was achieved, showing that this model was able to provide insight into industrial electromagnetic heating processes. PMID:18351003

  6. Cross-frequency coupling in deep brain structures upon processing the painful sensory inputs.

    PubMed

    Liu, C C; Chien, J H; Kim, J H; Chuang, Y F; Cheng, D T; Anderson, W S; Lenz, F A

    2015-09-10

    Cross-frequency coupling has been shown to be functionally significant in cortical information processing, potentially serving as a mechanism for integrating functionally relevant regions in the brain. In this study, we evaluate the hypothesis that pain-related gamma oscillatory responses are coupled with low-frequency oscillations in the frontal lobe, amygdala and hippocampus, areas known to have roles in pain processing. We delivered painful laser pulses to random locations on the dorsal hand of five patients with uncontrolled epilepsy requiring depth electrode implantation for seizure monitoring. Two blocks of 40 laser stimulations were delivered to each subject and the pain-intensity was controlled at five in a 0-10 scale by adjusting the energy level of the laser pulses. Local-field-potentials (LFPs) were recorded through bilaterally implanted depth electrode contacts to study the oscillatory responses upon processing the painful laser stimulations. Our results show that painful laser stimulations enhanced low-gamma (LH, 40-70 Hz) and high-gamma (HG, 70-110 Hz) oscillatory responses in the amygdala and hippocampal regions on the right hemisphere and these gamma responses were significantly coupled with the phases of theta (4-7 Hz) and alpha (8-1 2 Hz) rhythms during pain processing. Given the roles of these deep brain structures in emotion, these findings suggest that the oscillatory responses in these regions may play a role in integrating the affective component of pain, which may contribute to our understanding of the mechanisms underlying the affective information processing in humans.

  7. A COMSOL-GEMS interface for modeling coupled reactive-transport geochemical processes

    NASA Astrophysics Data System (ADS)

    Azad, Vahid Jafari; Li, Chang; Verba, Circe; Ideker, Jason H.; Isgor, O. Burkan

    2016-07-01

    An interface was developed between COMSOL MultiphysicsTM finite element analysis software and (geo)chemical modeling platform, GEMS, for the reactive-transport modeling of (geo)chemical processes in variably saturated porous media. The two standalone software packages are managed from the interface that uses a non-iterative operator splitting technique to couple the transport (COMSOL) and reaction (GEMS) processes. The interface allows modeling media with complex chemistry (e.g. cement) using GEMS thermodynamic database formats. Benchmark comparisons show that the developed interface can be used to predict a variety of reactive-transport processes accurately. The full functionality of the interface was demonstrated to model transport processes, governed by extended Nernst-Plank equation, in Class H Portland cement samples in high pressure and temperature autoclaves simulating systems that are used to store captured carbon dioxide (CO2) in geological reservoirs.

  8. Coupled Environmental Processes and Long-term Performance of Landfill Covers in the northern Mojave Desert

    SciTech Connect

    David Shafer; Michael Young; Stephen Zitzer; Eric McDonald; Todd Caldwell

    2004-05-12

    Evapotransiration (ET) covers have gained widespread acceptance as a closure feature for waste disposal sites, particularly in the arid and semi-arid regions of the southwestern U.S. But as landforms, ET covers are subject to change over time because of processes such as pedogenesis, hydrologic processes, vegetation establishment and change, and biological processes. To better understand the effects of coupled process changes to ET covers, a series of four primary analog sites in Yucca Flat on the Nevada Test Site, along with measurements and observations from other locations in the Mojave Desert, were selected to evaluate changes in ET covers over time. The analog sites, of varying ages, were selected to address changes in the early post-institutional control period, the 1,000-year compliance period for disposal of low-level and mixed low-level waste, and the 10,000-year compliance period for transuranic waste sites.

  9. Treatment response in couple therapy: Relationship adjustment and individual functioning change processes.

    PubMed

    Knobloch-Fedders, Lynne M; Pinsof, William M; Haase, Claudia M

    2015-10-01

    This study, a naturalistic investigation of the process of change in relationship adjustment and individual functioning during conjoint therapy, examined the first 8 sessions of a multisystemic model of couple therapy, integrative problem-centered metaframeworks (Breunlin, Pinsof, Russell, & Lebow, 2011; Pinsof, Breunlin, Russell, & Lebow, 2011). The sample consisted of 125 heterosexual couples who reported on their relationship adjustment and individual functioning before every session using the Systemic Therapy Inventory of Change (Pinsof et al., 2009; Pinsof, Zinbarg, et al., in press). Data were analyzed using dyadic latent growth curve and cross-lagged models. For both men and women, relationship adjustment and individual functioning showed nonlinear change, increasing during Sessions 1-4 and stabilizing during Sessions 5-8. At pretreatment, women reported lower levels of relationship adjustment than men; no gender differences existed in initial levels of individual functioning or in the change trajectories of relationship adjustment or individual functioning. Higher relationship adjustment predicted positive change in individual functioning for men (but not for women). In contrast, there were no cross-lagged effects of individual functioning on relationship adjustment for men or women. The results demonstrate the importance of examining the processes by which relational and individual pathology respond to couple-based interventions. PMID:26376428

  10. The Atmospheric Signatures of Terrestrial Ecosystem Processes: Results From a Coupled Atmosphere-Ecosystem Model

    NASA Astrophysics Data System (ADS)

    Medvigy, D.; Moorcroft, P. R.

    2003-12-01

    Global-scale analyses of weekly CO2 flask samples have shown that a number of terrestrial regions are significantly affecting the rate at which carbon dioxide is building up in the atmosphere. However, the observations used in these studies come primarily from stations that sample the marine boundary layer in order to eliminate variance due to terrestrial fluxes, making it difficult to identify the processes responsible for the observed patterns of terrestrial CO2 flux. To address this issue, we have developed a regional-scale, coupled atmosphere-ecosystem model capable of assimilating observations from a diverse array of data sources, including eddy-flux measurements of surface CO2 fluxes, measurements of atmospheric CO2 concentrations obtained from aircraft and tall towers, and observations of canopy structure and dynamics obtained from satellite observations and forest inventory data. The model consists of a newly-developed, mass-conserving version of the mesoscale Regional Atmospheric Modeling System model (RAMS) coupled to the Ecosystem Demography Model (ED), which is able to represent the influence of both long-term and short-term processes on patterns of terrestrial CO2 flux. We are using the coupled RAMS-ED model to perform forward and inverse modeling studies of regional carbon budgets within the North American continent. Preliminary results highlight the model's ability to connect regional patterns of atmospheric CO2 to the underlying state of the ecosystems within a region.

  11. Theory and computational modeling: Medium reorganization and donor/acceptor coupling in electron transfer processes

    SciTech Connect

    Newton, M.D.; Feldberg, S.W.; Smalley, J.F.

    1998-03-01

    The continuing goal is to convert the rapidly accumulating mechanistic information about electron transfer (et) kinetics (often representable in terms of simple rate constants) into precise tools for fine-tuned control of the kinetics and for design of molecular-based systems which meet specified et characteristics. The present treatment will be limited to the kinetic framework defined by the assumption of transition state theory (TST). The primary objective of this paper is to report recent advances in the theoretical formulation, calculation, and analysis of energetics and electronic coupling pertinent to et in complex molecular aggregates. The control of et kinetics (i.e., enhancing desired processes, while inhibiting others) involves, of course, both system energetics (especially reorganization energies (E{sub r}) and free energy changes ({Delta}G{sup 0})) and electronic coupling of local D and A sites, which for thermal processes is most directly relevant only after the system has reached the appropriate point (or region) along the reaction coordinate (i.e., the transition state). The authors first discuss TST rate constant models, emphasizing genetic features, but also noting some special features arising when metal electrodes are involved. They then turn to a consideration of detailed aspects of medium reorganization and donor/acceptor coupling. With these theoretical tools in hand, they examine the results of recent applications to complex molecular systems using the techniques of computational quantum chemistry and electrostatics, together with detailed analysis of the numerical results and comparison with recent electrochemical kinetic data.

  12. Selectiveness of laser processing due to energy coupling localization: case of thin film solar cell scribing

    NASA Astrophysics Data System (ADS)

    Račiukaitis, G.; Grubinskas, S.; Gečys, P.; Gedvilas, M.

    2013-07-01

    Selectiveness of the laser processing is the top-most important for applications of the processing technology in thin-film electronics, including photovoltaics. Coupling of laser energy in multilayered thin-film structures, depending on photo-physical properties of the layers and laser wavelength was investigated experimentally and theoretically. Energy coupling within thin films highly depends on the film structure. The finite element and two-temperature models were applied to simulate the energy and temperature distributions inside the stack of different layers of a thin-film solar cell during a picosecond laser irradiation. Reaction of the films to the laser irradiation was conditioned by optical properties of the layers at the wavelength of laser radiation. Simulation results are consistent with the experimental data achieved in laser scribing of copper-indium-gallium diselenide (CIGS) solar cells on a flexible polymer substrate using picosecond-pulsed lasers. Selection of the right laser wavelength (1064 nm or 1572 nm) enabled keeping the energy coupling in a well-defined volume at the interlayer interface. High absorption at inner interface of the layers triggered localized temperature increase. Transient stress caused by the rapid temperature rise facilitating peeling of the films rather than evaporation. Ultra-short pulses ensured high energy input rate into absorbing material permitting peeling of the layers with no influence on the remaining material.

  13. Conservation Laws for Coupled Hydro-mechanical Processes in Unsaturated Porous Media: Theory and Implementation

    SciTech Connect

    Borja, R I; White, J A

    2010-02-19

    We develop conservation laws for coupled hydro-mechanical processes in unsaturated porous media using three-phase continuum mixture theory. From the first law of thermodynamics, we identify energy-conjugate variables for constitutive modeling at macroscopic scale. Energy conjugate expressions identified relate a certain measure of effective stress to the deformation of the solid matrix, the degree of saturation to the matrix suction, the pressure in each constituent phase to the corresponding intrinsic volume change of this phase, and the seepage forces to the corresponding pressure gradients. We then develop strong and weak forms of boundary-value problems relevant for 3D finite element modeling of coupled hydro-mechanical processes in unsaturated porous media. The paper highlights a 3D numerical example illustrating the advances in the solution of large-scale coupled finite element systems, as well as the challenges in developing more predictive tools satisfying the basic conservation laws and the observed constitutive responses for unsaturated porous materials.

  14. Reciprocity or near-reciprocity of highly coupled enzymatic processes at the multidimensional inflection point.

    PubMed Central

    Caplan, S R

    1981-01-01

    It has recently been demonstrated that coupled enzymatic processes may possess, for a particular choice of the state variables, multidimensional inflection points in thermodynamic force-flow space. The conditions for reciprocity in the linear region near such a reference state, which may be far from equilibrium, are of considerable interest. It is shown by examining the associated Hill diagrams that all cycles in which a given pair of forces act contribute a corresponding pair of symmetrical terms to the Jacobian matrix characterizing perturbations about this stationary state. To the extent that these cycles dominate--i.e., to the extent that the system is highly coupled--reciprocity or near-reciprocity will be obeyed. This would be expected to be the case in most biological systems. PMID:6270670

  15. Fast and accurate inductance and coupling calculation for a multi-layer Nb process

    NASA Astrophysics Data System (ADS)

    Fourie, Coenrad J.; Takahashi, Akitomo; Yoshikawa, Nobuyuki

    2015-03-01

    Currently, fabrication processes for superconductive integrated circuits are moving to multiple wiring and shielding layers, some of which are placed below the main ground plane (GP) and device layers. The Advanced Industrial Science and Technology advanced process (ADP2) was the first such multi-layer Nb process with planarized passive transmission line and GP layers below the junction layer, and is at the time of writing still the most developed. This process allows complex circuit designs, and accurate inductance extraction helps to push the boundaries of the layouts possible. We show that the position of ground connections between ground layers influences the inductance of structures for which these GPs act as return path, and that this needs to be accounted for in modelling. However, due to the number of wiring layers and GPs, full layout modelling of large cells causes long calculation times. In this paper we discuss methods with which to reduce model size, and calibrate InductEx calculations using these methods against measured results. We show that model reduction followed by calibration results in fast calculation times while good accuracy is maintained. We also show that InductEx correctly handles coupling between conductors in a multi-layer layout, and how to model layouts to gauge unwanted coupling between power lines and single flux quantum electronics.

  16. Quantifying variable erosion rates to understand the coupling of surface processes in the Teton Range, Wyoming

    NASA Astrophysics Data System (ADS)

    Tranel, Lisa M.; Spotila, James A.; Binnie, Steven A.; Freeman, Stewart P. H. T.

    2015-01-01

    Short-term geomorphic processes (fluvial, glacial, and hillslope erosion) and long-term exhumation control transient alpine landscapes. Long-term measurements of exhumation are not sufficient to capture the processes driving transient responses associated with short-term climatic oscillations, because of high variability of individual processes across space and time. This study compares the efficacy of different erosional agents to assess the importance of variability in tectonically active landscapes responding to fluctuations in Quaternary climate. We focus on the Teton Range, where erosional mechanisms include hillslope, glacial, and fluvial processes. Erosion rates were quantified using sediment accumulation and cosmogenic dating (bedrock and stream sediments). Results show that rates of erosion are highly variable, with average short-term rockfall rates (0.8 mm/y) occurring faster than either apparent basin-averaged (0.2 mm/y) and long-term ridge erosion rates (0.02 mm/y). Examining erosion rates separately also demonstrates the coupling between glacial, fluvial, and hillslope processes. Apparent basin-averaged erosion rates amalgamate valley wall and ridge erosion with stream and glacial rates. Climate oscillations drive the short-term response of a single erosional process (e.g., rockfalls or other mass wasting) that may enhance or limit the erosional efficiency of other processes (glacial or fluvial). While the Teton landscape may approach long-term equilibrium, stochastic processes and rapid response to short-term climate change actively perpetuate the transient ruggedness of the topography.

  17. Experimental observations and numerical modeling of coupled microbial and transport processes in variably saturated sand.

    SciTech Connect

    Rockhold, Mark L.; Yarwood, R R.; Niemet, M R.; Bottomley, Peter J.; Selker, John S.

    2005-05-13

    An experimental and numerical investigation was conducted to study interactions between microbial dynamics and transport processes in variably saturated porous media. Experiments were conducted with constant, surface-applied water fluxes in duplicate, variably saturated, sand-filled columns that were uniformly inoculated with the bacterium Pseudomonas fluorescens HK44. The permeability of the sand in the columns was reduced by a factor of 45 during one week of growth on glucose. Pressure heads increased (became less negative) at all measured depths, but significant increases in the apparent volumetric water contents were only observed in the upper 5 cm of the columns, corresponding to the areas with the highest concentrations of attached bacteria. A numerical model was used to simulate the experiments. The model accounted for the processes of water flow, solute and bacterial transport, cell growth and accumulation, glucose and oxygen consumption, and gas diffusion and exchange. Observed changes in water content and pressure head were reproduced approximately using fluid-media scaling to account for an apparent surface-tension lowering effect. Reasonable correspondence was obtained between observed and simulated effluent data and final attached biomass concentration distributions using first-order reversible cell attachment and detachment kinetics with attachment rate coefficients based on particle-filtration theory, and time-dependent detachment rate coefficients. The results of this study illustrate the potential importance of using fully coupled multi-fluid flow and multi-component reactive transport equations to model coupled biogeochemical and transport processes in soils.

  18. Contagion processes on the static and activity-driven coupling networks

    NASA Astrophysics Data System (ADS)

    Lei, Yanjun; Jiang, Xin; Guo, Quantong; Ma, Yifang; Li, Meng; Zheng, Zhiming

    2016-03-01

    The evolution of network structure and the spreading of epidemic are common coexistent dynamical processes. In most cases, network structure is treated as either static or time-varying, supposing the whole network is observed in the same time window. In this paper, we consider the epidemics spreading on a network which has both static and time-varying structures. Meanwhile, the time-varying part and the epidemic spreading are supposed to be of the same time scale. We introduce a static and activity-driven coupling (SADC) network model to characterize the coupling between the static ("strong") structure and the dynamic ("weak") structure. Epidemic thresholds of the SIS and SIR models are studied using the SADC model both analytically and numerically under various coupling strategies, where the strong structure is of homogeneous or heterogeneous degree distribution. Theoretical thresholds obtained from the SADC model can both recover and generalize the classical results in static and time-varying networks. It is demonstrated that a weak structure might make the epidemic threshold low in homogeneous networks but high in heterogeneous cases. Furthermore, we show that the weak structure has a substantive effect on the outbreak of the epidemics. This result might be useful in designing some efficient control strategies for epidemics spreading in networks.

  19. Modeling coupled thermal-mechanical processes of frozen soil induced by borehole heat exchanger

    NASA Astrophysics Data System (ADS)

    Shao, H.

    2015-12-01

    To utilize the shallow geothermal energy, heat pumps are often coupled with Borehole Heat Exchangers (BHE) to provide heating and cooling for buildings. In cold regions, soil freezing around the BHE is a potential problem which will dramatically influence the underground soil temperature distribution, subsequently the inlet and outlet refrigerant temperature of the BHE, and finally the efficiency of the heat pump. In this study, a numerical model has been developed to simulate the coupled temperature evolution both inside the BHE, and the propagating freezing front in the surrounding soil. The coupled model was validated against analytical solutions and experimental data. The influence of the freezing process on the overall system performance is investigated by comparing one long BHE configuration without freezing and another short one with latent heat from the frozen groundwater. It is found that when freezing happens, the coefficient of performance (COP) of the heat pump will decrease by around 0.5, leading to more electricity consumption. Furthermore, analysis of the simulation result reveals that the exploitation of latent heat through groundwater freezing is only economically attractive if electricity price is low and interest rate high, and it is not the case is most European countries.

  20. Advanced Simulation of Coupled Earthquake and Tsunami Events (ASCETE) - Simulation Techniques for Realistic Tsunami Process Studies

    NASA Astrophysics Data System (ADS)

    Behrens, Joern; Bader, Michael; Breuer, Alexander N.; van Dinther, Ylona; Gabriel, Alice-A.; Galvez Barron, Percy E.; Rahnema, Kaveh; Vater, Stefan; Wollherr, Stephanie

    2015-04-01

    At the End of phase 1 of the ASCETE project a simulation framework for coupled physics-based rupture generation with tsunami propagation and inundation is available. Adaptive mesh tsunami propagation and inundation by discontinuous Galerkin Runge-Kutta methods allows for accurate and conservative inundation schemes. Combined with a tree-based refinement strategy to highly optimize the code for high-performance computing architectures, a modeling tool for high fidelity tsunami simulations has been constructed. Validation results demonstrate the capacity of the software. Rupture simulation is performed by an unstructured tetrahedral discontinuous Galerking ADER discretization, which allows for accurate representation of complex geometries. The implemented code was nominated for and was selected as a finalist for the Gordon Bell award in high-performance computing. Highly realistic rupture events can be simulated with this modeling tool. The coupling of rupture induced wave activity and displacement with hydrodynamic equations still poses a major problem due to diverging time and spatial scales. Some insight from the ASCETE set-up could be gained and the presentation will focus on the coupled behavior of the simulation system. Finally, an outlook to phase 2 of the ASCETE project will be given in which further development of detailed physical processes as well as near-realistic scenario computations are planned. ASCETE is funded by the Volkswagen Foundation.

  1. A Stable Clock Error Model Using Coupled First and Second Order Gauss-Markov Processes

    NASA Technical Reports Server (NTRS)

    Carpenter, Russell; Lee, Taesul

    2008-01-01

    Long data outages may occur in applications of global navigation satellite system technology to orbit determination for missions that spend significant fractions of their orbits above the navigation satellite constellation(s). Current clock error models based on the random walk idealization may not be suitable in these circumstances, since the covariance of the clock errors may become large enough to overflow flight computer arithmetic. A model that is stable, but which approximates the existing models over short time horizons is desirable. A coupled first- and second-order Gauss-Markov process is such a model.

  2. Parallel processing implementation for the coupled transport of photons and electrons using OpenMP

    NASA Astrophysics Data System (ADS)

    Doerner, Edgardo

    2016-05-01

    In this work the use of OpenMP to implement the parallel processing of the Monte Carlo (MC) simulation of the coupled transport for photons and electrons is presented. This implementation was carried out using a modified EGSnrc platform which enables the use of the Microsoft Visual Studio 2013 (VS2013) environment, together with the developing tools available in the Intel Parallel Studio XE 2015 (XE2015). The performance study of this new implementation was carried out in a desktop PC with a multi-core CPU, taking as a reference the performance of the original platform. The results were satisfactory, both in terms of scalability as parallelization efficiency.

  3. Method and apparatus for measuring coupled flow, transport, and reaction processes under liquid unsaturated flow conditions

    DOEpatents

    McGrail, Bernard P.; Martin, Paul F.; Lindenmeier, Clark W.

    1999-01-01

    The present invention is a method and apparatus for measuring coupled flow, transport and reaction processes under liquid unsaturated flow conditions. The method and apparatus of the present invention permit distinguishing individual precipitation events and their effect on dissolution behavior isolated to the specific event. The present invention is especially useful for dynamically measuring hydraulic parameters when a chemical reaction occurs between a particulate material and either liquid or gas (e.g. air) or both, causing precipitation that changes the pore structure of the test material.

  4. Strong Asymmetric Coupling of Two Parallel Exclusion Processes: Effect of Unequal Injection Rates

    NASA Astrophysics Data System (ADS)

    Xiao, Song; Dong, Peng; Zhang, Yingjie; Liu, Yanna

    2016-03-01

    In this letter, strong asymmetric coupling of two parallel exclusion processes: effect of unequal injection rates will be investigated. It is a generalization of the work of Xiao et al. (Phys. Lett. A 8, 374 (2009)), in which the particles only move on two lanes with rate 1 toward right. We can obtain the diverse phase diagram and density profiles of the system. The vertical cluster mean-field approach and extensively Monte Carlo simulations are used to study the system, and theoretical predictions are in excellent agreement with simulation results.

  5. The Experience of Chinese Couples Undergoing In Vitro Fertilization Treatment: Perception of the Treatment Process and Partner Support

    PubMed Central

    Ying, Li-Ying; Wu, Lai Har; Loke, Alice Yuen

    2015-01-01

    Background Couples undergoing In Vitro Fertilization (IVF) Treatment suffer as dyads from the stressful experience of the painful treatment and the fear that the IVF cycle will fail. They are likely to report that their marital relationship has become unstable due to the prolonged period of treatment. Methods This is a qualitative study that was conducted to explore the experiences that Chinese couples have had with IVF treatment, especially their perceptions of the process and the support between couples. Results The interviews revealed that couples suffered from the process, experiencing physical and emotional pain, struggling with the urgency and inflexibility of bearing a child, and experiencing disturbances in their daily routines and work. The participants described how they endured the hardships as a couple and how it affected their relationship. The couples felt that sharing feelings and supporting each other contribute to psychological well-being and improves the marital relationship. They also identified some unfavorable aspects in their partner relationship. They were ambivalent about receiving social support from friends and family members. Conclusions With the couples indicating that the support that they received from each other affected their experience during the treatment process, it is suggested that a supportive intervention that focuses on enhancing the partnership of the couples and dealing with their inflexibility on the issue of bearing a child might result in improvements in the psychological status and marital relationship of infertile couples undergoing IVF treatment. PMID:26431545

  6. Sensitivity Analysis of Coupled Groundwater Processes within a Land Surface Model

    SciTech Connect

    Maxwell, R M; Miller, N L; Kollet, S J

    2004-05-05

    Management of surface water quality is often complicated by interactions between surface water and groundwater. Traditional Land-Surface Models (LSM) used for numerical weather prediction, climate projection, and as inputs to water management decision support systems, do not treat the lower boundary in a fully process-based fashion. LSMs have evolved from a leaky bucket to more sophisticated land surface water and energy budgets that typically have a so-called basement term to depict the bottom model layer exchange with deeper aquifers. Nevertheless, the LSM lower boundary is often assumed zero flux or the soil moisture content is set to a constant value; an approach that while mass conservative, ignores processes that can alter surface fluxes, runoff, and water quantity and quality. Conversely, models for saturated and unsaturated water flow, while addressing important features such as subsurface heterogeneity and three-dimensional flow, often have overly simplified upper boundary conditions that ignore soil heating, runoff, snow and root-zone uptake. In the present study, a state-of-the-art LSM (CLM2.0) and a variably-saturated groundwater model (ParFlow) have been coupled as single model, in single-column and distributed form. An initial set of single column simulations based on data from the Project for Intercomparison of Land-surface Parameterization Schemes (PILPS) and synthetic data demonstrate the temporal dynamics of both of the coupled models. A 15-year single-column simulation using the data from the Usadievskiy catchment in Valdai, Russia demonstrate the coupled model's ability to accurately predict the soil moisture profile and location of the water table, in addition to water and energy balance within the watershed. The distributed coupled model will also be demonstrated using a series of spatially variable subsurface parameter runs, which will be used to investigate upscaling in land-surface models. The coupled model will ultimately be used to assist

  7. Surface roughening of ground fused silica processed by atmospheric inductively coupled plasma

    NASA Astrophysics Data System (ADS)

    Xin, Qiang; Li, Na; Wang, Jun; Wang, Bo; Li, Guo; Ding, Fei; Jin, Huiliang

    2015-06-01

    Subsurface damage (SSD) is a defect that is inevitably induced during mechanical processes, such as grinding and polishing. This defect dramatically reduces the mechanical strength and the laser damage thresholds of optical elements. Compared with traditional mechanical machining, atmospheric pressure plasma processing (APPP) is a relatively novel technology that induces almost no SSD during the processing of silica-based optical materials. In this paper, a form of APPP, inductively coupled plasma (ICP), is used to process fused silica substrates with fluorocarbon precursor under atmospheric pressure. The surface morphology evolution of ICP-processed substrates was observed and characterized by confocal laser scanning microscope (CLSM), field emission scanning electron microscope (SEM), and atomic force microscopy (AFM). The results show that the roughness evolves with the etching depth, and the roughness evolution is a single-peaked curve. This curve results from the opening and the coalescing of surface cracks and fractures. The coalescence procedure of these microstructures was simulated with two common etched pits on a polished fused silica surface. Understanding the roughness evolution of plasma-processed surface might be helpful in optimizing the optical fabrication chain that contains APPP.

  8. Air-processable silane-coupled polymers to modify a dielectric for solution-processed organic semiconductors.

    PubMed

    Jang, Mi; Yu, Young Chang; Jeon, Hyeonyeol; Youk, Ji Ho; Yang, Hoichang

    2015-03-11

    Poly(styrene-r-3-methacryloxypropyltrimethoxysilane) (PSMPTS) copolymers were synthesized by the free radical polymerization of styrene and 3-methacryloxypropyltrimethoxysilane (MPTS) for use as surface modifiers. PSMPTS copolymers were spun-cast onto a hydrophilic SiO2 layer and were then annealed at 150 °C in ambient air. The polystyrene (PS)-based copolymer, with a molecular weight of 32 700 g mol(-1) and approximately 30 MPTS coupling sites, was easily grafted onto the SiO2 surface after annealing periods longer than 1 min, yielding a physicochemically stable layer. On the untreated and polymer-treated dielectrics, spin-casting of an ultrasonicated poly(3-hexyl thiophene) (P3HT) solution yielded highly interconnected crystal nanofibrils of P3HT. The resulting organic field-effect transistors (OFETs) showed similar mobility values of 0.01-0.012 cm(2) V(-1) s(-1) for all surfaces. However, the threshold voltage (Vth) drastically decreased from +13 (for bare SiO2) to 0 V by grafting the PSMPTS copolymers to the SiO2 surface. In particular, the interfacial charge traps that affect Vth were minimized by grafting the 11 mol % MPTS-loaded copolymer to the polar dielectric surface. We believe that this ambient-air-processable silane-coupled copolymer can be used as a solution-based surface modifier for continuous, large-scale OFET fabrication. PMID:25700018

  9. Air-processable silane-coupled polymers to modify a dielectric for solution-processed organic semiconductors.

    PubMed

    Jang, Mi; Yu, Young Chang; Jeon, Hyeonyeol; Youk, Ji Ho; Yang, Hoichang

    2015-03-11

    Poly(styrene-r-3-methacryloxypropyltrimethoxysilane) (PSMPTS) copolymers were synthesized by the free radical polymerization of styrene and 3-methacryloxypropyltrimethoxysilane (MPTS) for use as surface modifiers. PSMPTS copolymers were spun-cast onto a hydrophilic SiO2 layer and were then annealed at 150 °C in ambient air. The polystyrene (PS)-based copolymer, with a molecular weight of 32 700 g mol(-1) and approximately 30 MPTS coupling sites, was easily grafted onto the SiO2 surface after annealing periods longer than 1 min, yielding a physicochemically stable layer. On the untreated and polymer-treated dielectrics, spin-casting of an ultrasonicated poly(3-hexyl thiophene) (P3HT) solution yielded highly interconnected crystal nanofibrils of P3HT. The resulting organic field-effect transistors (OFETs) showed similar mobility values of 0.01-0.012 cm(2) V(-1) s(-1) for all surfaces. However, the threshold voltage (Vth) drastically decreased from +13 (for bare SiO2) to 0 V by grafting the PSMPTS copolymers to the SiO2 surface. In particular, the interfacial charge traps that affect Vth were minimized by grafting the 11 mol % MPTS-loaded copolymer to the polar dielectric surface. We believe that this ambient-air-processable silane-coupled copolymer can be used as a solution-based surface modifier for continuous, large-scale OFET fabrication.

  10. Hydromechanical coupling in fractured rock masses: mechanisms and processes of selected case studies

    NASA Astrophysics Data System (ADS)

    Zangerl, Christian

    2015-04-01

    Hydromechanical (HM) coupling in fractured rock play an important role when events including dam failures, landslides, surface subsidences due to water withdrawal or drainage, injection-induced earthquakes and others are analysed. Generally, hydromechanical coupling occurs when a rock mass contain interconnected pores and fractures which are filled with water and pore/fracture pressures evolves. In the on hand changes in the fluid pressure can lead to stress changes, deformations and failures of the rock mass. In the other hand rock mass stress changes and deformations can alter the hydraulic properties and fluid pressures of the rock mass. Herein well documented case studies focussing on surface subsidence due to water withdrawal, reversible deformations of large-scale valley flanks and failure as well as deformation processes of deep-seated rock slides in fractured rock masses are presented. Due to pore pressure variations HM coupling can lead to predominantly reversible rock mass deformations. Such processes can be considered by the theory of poroelasticity. Surface subsidence reaching magnitudes of few centimetres and are caused by water drainage into deep tunnels are phenomenas which can be assigned to processes of poroelasticity. Recently, particular focus was given on large tunnelling projects to monitor and predict surface subsidence in fractured rock mass in oder to avoid damage of surface structures such as dams of large reservoirs. It was found that surface subsidence due to tunnel drainage can adversely effect infrastructure when pore pressure drawdown is sufficiently large and spatially extended and differential displacements which can be amplified due to topographical effects e.g. valley closure are occurring. Reversible surface deformations were also ascertained on large mountain slopes and summits with the help of precise deformation measurements i.e. permanent GPS or episodic levelling/tacheometric methods. These reversible deformations are often

  11. A geochemical transport model for thermo-hydro-chemical (THC) coupled processes with saline water

    NASA Astrophysics Data System (ADS)

    Xie, Mingliang; Kolditz, Olaf; Moog, Helge C.

    2011-02-01

    Anhydrous MgSO4 is considered as a potential sealing material for the isolation of high-level-waste repositories in salt rock. When an aqueous solution, usually a brine type, penetrates the sealing, different MgSO4 hydrates along with other mineral phases form, removing free water from the solution. The uptake of water leads to an overall increase of solid phase volume. If deformation is constrained, the pore volume decreases and permeability is reduced. In order to simulate such processes, especially for conditions without free water, a coupling between OpenGeoSys and thermodynamic equilibrium calculations were implemented on the basis of the commercially available thermodynamic simulator ChemApp and the object-oriented programming finite-element method simulator OpenGeoSys. ChemApp uses the Gibbs energy minimization approach for the geochemical reaction simulation. Based on this method, the thermodynamic equilibrium of geochemical reactions can be calculated by giving the amount of each system component and the molar Gibbs energy of formation for all the possible phases and phase constituents. Activity coefficients in high-saline solutions were calculated using the Pitzer formalism. This model has the potential to handle 1-D, 2-D, and 3-D saturated and nonsaturated thermo-hydro-chemical coupled processes even with highly saline solutions under complex conditions. The model was verified by numerical comparison with other simulators and applied for the modeling of SVV experimental data.

  12. Microwaves and their coupling to advanced oxidation processes: enhanced performance in pollutants degradation.

    PubMed

    Nascimento, Ulisses M; Azevedo, Eduardo B

    2013-01-01

    This review assesses microwaves (MW) coupled to advanced oxidation processes (AOPs) for pollutants degradation, as well as the basic theory and mechanisms of MW dielectric heating. We addressed the following couplings: MW/H2O2, MW/UV/H2O2, MW/Fenton, MW/US, and MW/UV/TiO2, as well as few studies that tested alternative oxidants and catalysts. Microwave Discharge Electrodeless Lamps (MDELs) are being extensively used with great advantages over ballasts. In their degradation studies, researchers generally employed domestic ovens with minor adaptations. Non-thermal effects and synergies between UV and MW radiation play an important role in the processes. Published papers so far report degradation enhancements between 30 and 1,300%. Unfortunately, how microwaves enhance pollutants is still obscure and real wastewaters scarcely studied. Based on the results surveyed in the literature, MW/AOPs are promising alternatives for treating/remediating environmental pollutants, whenever one considers high degradation yields, short reaction times, and small costs.

  13. A general strategy for nanohybrids synthesis via coupled competitive reactions controlled in a hybrid process.

    PubMed

    Wang, Rongming; Yang, Wantai; Song, Yuanjun; Shen, Xiaomiao; Wang, Junmei; Zhong, Xiaodi; Li, Shuai; Song, Yujun

    2015-03-30

    A new methodology based on core alloying and shell gradient-doping are developed for the synthesis of nanohybrids, realized by coupled competitive reactions, or sequenced reducing-nucleation and co-precipitation reaction of mixed metal salts in a microfluidic and batch-cooling process. The latent time of nucleation and the growth of nanohybrids can be well controlled due to the formation of controllable intermediates in the coupled competitive reactions. Thus, spatiotemporal-resolved synthesis can be realized by the hybrid process, which enables us to investigate nanohybrid formation at each stage through their solution color changes and TEM images. By adjusting the bi-channel solvents and kinetic parameters of each stage, the primary components of alloyed cores and the second components of transition metal doping ZnO or Al2O3 as surface coatings can be successively formed. The core alloying and shell gradient-doping strategy can efficiently eliminate the crystal lattice mismatch in different components. Consequently, varieties of gradient core-shell nanohybrids can be synthesized using CoM, FeM, AuM, AgM (M = Zn or Al) alloys as cores and transition metal gradient-doping ZnO or Al2O3 as shells, endowing these nanohybrids with unique magnetic and optical properties (e.g., high temperature ferromagnetic property and enhanced blue emission).

  14. Coupled analysis on landscape pattern and hydrological processes in Yanhe watershed of China.

    PubMed

    Li, J; Zhou, Z X

    2015-02-01

    As a typical experimental Soil and Water Conservation District, Yanhe watershed has long been plagued by soil erosion due to severe human disturbances. Exerting remote sensing (RS) and geographic information system (GIS) technology, this paper firstly analyzed and simulated ecological hydrological process in Yanhe watershed based on SWAT model, constructed a comprehensive landscape indices which was closely related to soil erosion, and reflected the coupling relationship between regional landscape pattern change and soil erosion. The results are as follows: (1) Areas of different land use types remained relatively stable from 1990 to 2000 and then changed drastically from 2000 to 2010, which was characterized by lawn expansion and cultivated land shrinkage. (2) In terms of the spatial heterogeneity of hydrological response unit (HRUs), the correlation coefficient of seven selected landscape indices and runoff was very small, and cannot pass all significant testing. But correlation between the indices and sediment yield except for Total Core Area (TCA) and Interspersion and Juxtaposition Index (IJI) was remarkable. (3) According to 'the source-sink' theory of soil erosion, new landscape index-slope-HRU landscape index (SHLI) was built, and reflected the relationship between landscape pattern and soil erosion processes to a certain extent. (4) Coupling relationship between SHLI in 2010 and annual sediment was very prominent. In the sub-basin scale, SHLI has obvious regional differentiation from annual sediment.

  15. Numerical Simulation of the Friction Stir Welding Process Using Coupled Eulerian Lagrangian Method

    NASA Astrophysics Data System (ADS)

    Iordache, M.; Badulescu, C.; Iacomi, D.; Nitu, E.; Ciuca, C.

    2016-08-01

    Friction Stir Welding (FSW) is a solid state joining process that relies on frictional heating and plastic deformation realized at the interaction between a non-consumable welding tool that rotates on the contact surfaces of the combined parts. The experiments are often time consuming and costly. To overcome these problems, numerical analysis has frequently been used in last years. Several simplified numerical models were designed to elucidate various aspects of the complex thermo-mechanical phenomena associated with FSW. This research investigates a thermo-mechanical finite element model based on Coupled Eulerian Lagrangian method to simulate the friction stir welding of the AA 6082-T6 alloy. Abaqus/cae software is used in order to simulate the welding stage of the Friction Stir Welding process. This paper presents the steps of the numerical simulation using the finite elements method, in order to evaluate the boundary conditions of the model and the geometry of the tools by using the Coupled Eulerian Lagrangian method.

  16. A General Strategy for Nanohybrids Synthesis via Coupled Competitive Reactions Controlled in a Hybrid Process

    PubMed Central

    Wang, Rongming; Yang, Wantai; Song, Yuanjun; Shen, Xiaomiao; Wang, Junmei; Zhong, Xiaodi; Li, Shuai; Song, Yujun

    2015-01-01

    A new methodology based on core alloying and shell gradient-doping are developed for the synthesis of nanohybrids, realized by coupled competitive reactions, or sequenced reducing-nucleation and co-precipitation reaction of mixed metal salts in a microfluidic and batch-cooling process. The latent time of nucleation and the growth of nanohybrids can be well controlled due to the formation of controllable intermediates in the coupled competitive reactions. Thus, spatiotemporal-resolved synthesis can be realized by the hybrid process, which enables us to investigate nanohybrid formation at each stage through their solution color changes and TEM images. By adjusting the bi-channel solvents and kinetic parameters of each stage, the primary components of alloyed cores and the second components of transition metal doping ZnO or Al2O3 as surface coatings can be successively formed. The core alloying and shell gradient-doping strategy can efficiently eliminate the crystal lattice mismatch in different components. Consequently, varieties of gradient core-shell nanohybrids can be synthesized using CoM, FeM, AuM, AgM (M = Zn or Al) alloys as cores and transition metal gradient-doping ZnO or Al2O3 as shells, endowing these nanohybrids with unique magnetic and optical properties (e.g., high temperature ferromagnetic property and enhanced blue emission). PMID:25818342

  17. Lattice Boltzmann technique for heat transport phenomena coupled with melting process

    NASA Astrophysics Data System (ADS)

    Ibrahem, A. M.; El-Amin, M. F.; Mohammadein, A. A.; Gorla, Rama Subba Reddy

    2016-04-01

    In this work, the heat transport phenomena coupled with melting process are studied by using the enthalpy-based lattice Boltzmann method (LBM). The proposed model is a modified version of thermal LB model, where could avoid iteration steps and ensures high accuracy. The Bhatnagar-Gross-Krook (BGK) approximation with a D1Q2 lattice was used to determine the temperature field for one-dimensional melting by conduction and multi-distribution functions (MDF) with D2Q9 lattice was used to determine the density, velocity and temperature fields for two-dimensional melting by natural convection. Different boundary conditions including Dirichlet, adiabatic and bounce-back boundary conditions were used. The influence of increasing Rayleigh number (from 103 to 105) on temperature distribution and melting process is studied. The obtained results show that a good agreement with the analytical solution for melting by conduction case and with the benchmark solution for melting by convection.

  18. Penrose process in a charged axion-dilaton coupled black hole

    NASA Astrophysics Data System (ADS)

    Ganguly, Chandrima; SenGupta, Soumitra

    2016-04-01

    Using the Newman-Janis method to construct the axion-dilaton coupled charged rotating black holes, we show that the energy extraction from such black holes via the Penrose process takes place from the axion/Kalb-Ramond field energy responsible for rendering the angular momentum to the black hole. Determining the explicit form for the Kalb-Ramond field strength, which is argued to be equivalent to spacetime torsion, we demonstrate that at the end of the energy extraction process, the spacetime becomes torsion free with a spherically symmetric non-rotating black hole remnant. In this context, applications to physical phenomena, such as the emission of neutral particles in astrophysical jets, are also discussed. It is seen that the infalling matter gains energy from the rotation of the black hole, or equivalently from the axion field, and that it is ejected as a highly collimated astrophysical jet.

  19. MODELING THE UREX-PLUS-3A PROCESS USING ASPEN PLUS COUPLED WITH AMUSE

    SciTech Connect

    Smith, F; Richard Dimenna, R

    2008-01-11

    A plant level simulation of the UREX+3a separations process has been developed using AMUSE for solvent extraction calculations coupled with Aspen Plus for other operations. AMUSE, an Excel based application developed at Argonne National Laboratory [1], performs a rigorous calculation of countercurrent solvent extraction processes using thermodynamically based distribution coefficients specifically designed for nuclear separations. Aspen Plus [2] models simulate other separations plant operations such as head end assembly chopping and dissolution, product solidification, acid recovery, off-gas treatment and waste water treatment. The model predicts that 55 feed streams and 14 output streams will be generated by separations plant operation. On the basis of one metric ton of initial reactor fuel, the model predicts a plant throughput of approximately 200 metric tonnes of material. Approximately half is treated waste water. Another 30% is gas emissions arising from feed to the calcination furnaces. The gas stream is treated for discharge to the environment. About 5% of the throughput is product material. Another 10% is recovered organics and acid that may be recycled. The remaining 5% is contaminated waste that requires disposal. While these results are preliminary, the model has successfully simulated operation of the UREX+3a separations process. Coupling AMUSE to Aspen Plus provides rigorous solvent extraction calculations directly within the plant simulation, greatly increasing the accuracy of the model. Many areas, such as acid recycle, can be optimized to improve performance and reduce material usage and waste generation. The rigorous plant simulation model resulting from this work provides a framework to conduct such studies. The model is easily modified to simulate other variations of the UREX+ process.

  20. Toward understanding the large-scale land-atmosphere coupling in the models: Roles of different processes

    NASA Astrophysics Data System (ADS)

    Wei, Jiangfeng; Dirmeyer, Paul A.

    2010-10-01

    Two different Atmospheric General Circulation Models (AGCMs), each coupled to three different land surface schemes (LSSs) (six different model configurations in total), are used to study the roles of different model components and different action processes in land-atmosphere coupling. Experiments show that, for the six model configurations, the choice of AGCMs is the main reason for the substantially different precipitation variability, predictability, and land-atmosphere coupling strength among the configurations. The impact of different LSSs is secondary. Intraseasonal precipitation variability, which is mainly a property of the AGCM, can impact land-atmosphere coupling both directly in the atmosphere and indirectly through soil moisture response to precipitation. These results lead to a common conceptual decomposition of the land-atmosphere coupling strength and increases the understanding on large-scale land-atmosphere coupling.

  1. Long-term coupling and feedbacks between surface processes and tectonics during rifting

    NASA Astrophysics Data System (ADS)

    Theunissen, Thomas; Huismans, Ritske S.

    2016-04-01

    Whereas significant efforts have been made to understand the relationship between mountain building and surfaces processes, limited research has been done on the relationship between surface processes and extensional tectonics. Here we present high-resolution 2-D coupled tectonic-surface processes modeling of extensional basin formation. The main aim is to find out how erosion and deposition affect the deformation in extensional systems. We test the combined effects of crustal rheology and varying surface process efficiency (erodibility, sea level) on structural style of rift and passive margin formation. The results show that both erosion of rift flank areas and basin deposition enhance localization of crustal deformation. Frictional-plastic extensional shear zones accumulate more deformation during a longer period of time, and loading of offshore basins can generate crustal ductile flow. In extreme cases sediment deposition delays lithospheric rupture. These mechanisms are enhanced when fluvial erosion, transport and deposition are efficient. We show that removal of mass from rift flanks and sedimentary loading in the basin area provide a first order feedback with tectonic deformation and control on rifted margin tectonic-morphology. However, surface processes do not change the first order mode of rifting, which is largely controlled by crustal rheology. Rift escarpment morphology is function of paleo-topography and sea level. Variation of strain localization in natural rift systems correlates with the observed behavior and suggests similar feedbacks as demonstrated by the forward numerical models.

  2. Modeling the coupled mechanics, transport, and growth processes in collagen tissues.

    SciTech Connect

    Holdych, David J.; Nguyen, Thao D.; Klein, Patrick A.; in't Veld, Pieter J.; Stevens, Mark Jackson

    2006-11-01

    The purpose of this project is to develop tools to model and simulate the processes of self-assembly and growth in biological systems from the molecular to the continuum length scales. The model biological system chosen for the study is the tendon fiber which is composed mainly of Type I collagen fibrils. The macroscopic processes of self-assembly and growth at the fiber scale arise from microscopic processes at the fibrillar and molecular length scales. At these nano-scopic length scales, we employed molecular modeling and simulation method to characterize the mechanical behavior and stability of the collagen triple helix and the collagen fibril. To obtain the physical parameters governing mass transport in the tendon fiber we performed direct numerical simulations of fluid flow and solute transport through an idealized fibrillar microstructure. At the continuum scale, we developed a mixture theory approach for modeling the coupled processes of mechanical deformation, transport, and species inter-conversion involved in growth. In the mixture theory approach, the microstructure of the tissue is represented by the species concentration and transport and material parameters, obtained from fibril and molecular scale calculations, while the mechanical deformation, transport, and growth processes are governed by balance laws and constitutive relations developed within a thermodynamically consistent framework.

  3. A Coupled GCM-Cloud Resolving Modeling System to Study Precipitation Processes

    NASA Technical Reports Server (NTRS)

    Tao, Wei-Kuo; Chern, Jiundar; Atlas, Robert; Peters-Lidard, Christa; Hou, Arthur; Lin, Xin

    2006-01-01

    Recent GEWEX Cloud System Study (GCSS) model comparison projects have indicated that cloud resolving models (CRMs) agree with observations better than traditional single column models in simulating various types of clouds and cloud systems from different geographic locations. Current and future NASA satellite programs can provide cloud, precipitation, aerosol and other data at very fine spatial and temporal scales. It requires a coupled global circulation model (GCM) and cloud-scale model (termed a super-parameterization or multi-scale modeling framework, MMF) to use these satellite data to improve the understanding of the physical processes that are responsible for the variation in global and regional climate and hydrological systems. The use of a GCM will enable global coverage and the use of a CRM will allow for better and more sophisticated physical parameterization. NASA Satellite and field campaign cloud related data sets can provide initial conditions as well as validation for both the MMF and CRMs. Also we have implemented a Land Information System (LIS that includes the CLM and NOAH land surface models into the MMF. The Goddard MMF is based on the 2D Goddard Cumulus Ensemble (GCE) model and the Goddard finite volume general circulation model (fvGCM) This modeling system has been applied and tested its performance for two different climate scenarios, El Nino (1998) and La Nina (1999). The coupled new modeling system produced more realistic propagation and intensity of tropical rainfall systems and intraseasonal oscillations, and diurnal variation of precipitation that are very difficult to forecast using even the state-of-the-art GCMs. In this talk I will present: (1) a brief review on GCE model and its applications on precipitation processes (both Microphysical and land processes) and (2) The Goddard MMF and the Major difference between two existing MMFs (CSU MMF and Goddard MMF) and preliminary results (the comparison with traditional GCMs).

  4. A coupled Bio-EF process for mineralization of the pharmaceuticals furosemide and ranitidine: Feasibility assessment.

    PubMed

    Olvera-Vargas, Hugo; Oturan, Nihal; Buisson, Didier; Oturan, Mehmet A

    2016-07-01

    A coupled Bio-EF treatment has been applied as a reliable process for the degradation of the pharmaceuticals furosemide (FRSM) and ranitidine (RNTD) in aqueous medium, in order to reduce the high energy consumption related to electrochemical technology. In the first stage of this study, electrochemical degradation of the drugs was assessed by the electro-Fenton process (EF) using a BDD/carbon-felt cell. Biodegradability of the drugs solutions was enhanced reaching BOD5/COD ratios close to the biodegradability threshold of 0.4, evidencing the formation of bio-compatible by-products (mainly short-chain carboxylic acids) which are suitable for biological post-treatment. Moreover, toxicity evaluation by the Microtox(®) method revealed that EF pre-treatment was able of detoxifying both, FRSM and RNTD solutions, constituting another indicator of biodegradability of EF treated solutions. In the second stage, electrolyzed solutions were treated by means of an aerobic biological process. A significant part of the short-chain carboxylic acids formed during the electrochemical phase was satisfactorily removed by the used selected microorganisms. The results obtained demonstrate the efficiency and feasibility of the integrated Bio-EF process. PMID:27155476

  5. Coupling socio-economic factors and eco-hydrological processes using a cascade-modeling approach

    NASA Astrophysics Data System (ADS)

    Odongo, V. O.; Mulatu, D. W.; Muthoni, F. K.; van Oel, P. R.; Meins, F. M.; van der Tol, C.; Skidmore, A. K.; Groen, T. A.; Becht, R.; Onyando, J. O.; van der Veen, A.

    2014-10-01

    Most hydrological studies do not account for the socio-economic influences on eco-hydrological processes. However, socio-economic developments often change the water balance substantially and are highly relevant in understanding changes in hydrological responses. In this study a multi-disciplinary approach was used to study the cascading impacts of socio-economic drivers of land use and land cover (LULC) changes on the eco-hydrological regime of the Lake Naivasha Basin. The basin has recently experienced substantial LULC changes exacerbated by socio-economic drivers. The simplified cascade models provided insights for an improved understanding of the socio-ecohydrological system. Results show that the upstream population has transformed LULC such that runoff during the period 1986-2010 was 32% higher than during the period 1961-1985. Cut-flower export volumes and downstream population growth explain 71% of the water abstracted from Lake Naivasha. The influence of upstream population on LULC and upstream hydrological processes explained 59% and 30% of the variance in lake storage volumes and sediment yield respectively. The downstream LULC changes had significant impact on large wild herbivore mammal species on the fringe zone of the lake. This study shows that, in cases where observed socio-economic developments are substantial, the use of a cascade-modeling approach, that couple socio-economic factors to eco-hydrological processes, can greatly improve our understanding of the eco-hydrological processes of a catchment.

  6. Vertically Integrated Models for CO2 Storage with Coupled Thermal Processes

    NASA Astrophysics Data System (ADS)

    Gasda, S. E.; Gray, W. G.; Dahle, H. K.

    2014-12-01

    CO2 storage involves coupled processes that affect the migration and ultimate fate of injected CO2 over multiple length and time scales. Coupled thermal and mechanical processes may have implications for storage security, including thermally induced fracturing and loss of caprock integrity near the wellbore. This may occur when CO2 is injected at a different temperature from reservoir conditions, e.g. Snøhvit injection, potentially leading to large temperature, density and volume changes over space and time. In addition, thermally induced density changes impact plume buoyancy that may affect large-scale migration patterns in gravity-driven systems, e.g. Sleipner injection. This interaction becomes particularly important near the critical point. Therefore, thermal processes should be considered in order to correctly capture plume migration within the reservoir. A practical modeling approach for CO2 storage at the field scale is the vertical-equilibrium (VE) model, which solves partially integrated conservation equations for flow in two lateral dimensions. This class of models is well suited for strongly segregated flows. We extend the classical VE model to nonisothermal systems by integrating the heat transport equations, focusing on thermal processes that most impact the CO2 plume. The model allows for heating/cooling of the CO2 plume through heat exchange with the surrounding environment. The upscaling procedure assumes vertically constant temperature across the plume thickness for relatively thin plumes. Conduction across the plume boundaries, into the caprock above and brine below, is modeled by an analytical heat transfer function. As a starting point, we investigate the validity of the simplifying assumptions and heat transfer boundary conditions for relatively simple systems. We find that the upscaled model compares well for systems where heat advection in the plume is the dominant heat transport mechanism. For high CO2 flux, improvements to the model can be

  7. Reactive Transport and Coupled THM Processes in Engineering Barrier Systems (EBS)

    SciTech Connect

    Steefel, Carl; Rutqvist, Jonny; Tsang, Chin-Fu; Liu, Hui-Hai; Sonnenthal, Eric; Houseworth, Jim; Birkholzer, Jens

    2010-08-31

    Geological repositories for disposal of high-level nuclear wastes generally rely on a multi-barrier system to isolate radioactive wastes from the biosphere. The multi-barrier system typically consists of a natural barrier system, including repository host rock and its surrounding subsurface environment, and an engineering barrier system (EBS). EBS represents the man-made, engineered materials placed within a repository, including the waste form, waste canisters, buffer materials, backfill and seals (OECD, 2003). EBS plays a significant role in the containment and long-term retardation of radionuclide release. EBS is involved in complex thermal, hydrogeological, mechanical, chemical and biological processes, such as heat release due to radionuclide decay, multiphase flow (including gas release due to canister corrosion), swelling of buffer materials, radionuclide diffusive transport, waste dissolution and chemical reactions. All these processes are related to each other. An in-depth understanding of these coupled processes is critical for the performance assessment (PA) for EBS and the entire repository. Within the EBS group of Used Fuel Disposition (UFD) Campaign, LBNL is currently focused on (1) thermal-hydraulic-mechanical-chemical (THMC) processes in buffer materials (bentonite) and (2) diffusive transport in EBS associated with clay host rock, with a long-term goal to develop a full understanding of (and needed modeling capabilities to simulate) impacts of coupled processes on radionuclide transport in different components of EBS, as well as the interaction between near-field host rock (e.g., clay) and EBS and how they effect radionuclide release. This final report documents the progress that LBNL has made in its focus areas. Specifically, Section 2 summarizes progress on literature review for THMC processes and reactive-diffusive radionuclide transport in bentonite. The literature review provides a picture of the state-of-the-art of the relevant research areas

  8. Fiber coupling of high-power diode laser stack for direct polycarbonate processing

    NASA Astrophysics Data System (ADS)

    Vidal, E.; Quintana, I.; Azkorbebeitia, U.; Mendez, E.; Viera, G.; Galán, M.; Otaduy, D.

    2010-02-01

    We present a novel optical system for fiber coupling of a commercial high power diode laser stack and the application of this laser system to transmission welding of engineering thermoplastics. The diode laser stack is made up of two 20% fill factor bars, emitting at 808 nm and with a total maximum output power of 120W CW. The stack was collimated using FSAC micro-optics lenses in the fast and slow axis, with a full angle divergence of <4mrad and <25mrad respectively. The optical design and simulations were carried out using ZEMAX®. Based on the design we built an optical set up, which is divided in two subsystems. The first one collimates the laser beam in order to achieve the best focus and couple it into the 400μm core fiber with NA0.22 and 70% efficiency. The second subsystem is designed for beam conformation after the fiber output, using collimation and beam shaping to have a Gaussian beam profile on the work piece. The laser system was applied to study the welding of polycarbonate plastics, based on the effects of selected welding parameters on the seam geometry and surface integrity. The quality of the spot welding has been analyzed obtaining welded seams with a mean diameter about 500-600μm, preserving the good technological properties of the thermoplastic considered in this work. The results show that we have successfully developed a novel laser system which is highly efficient for thermoplastics processing.

  9. “The Best is Always Yet to Come”: Relationship Stages and Processes Among Young LGBT Couples

    PubMed Central

    Macapagal, Kathryn; Greene, George J.; Rivera, Zenaida A.; Mustanski, Brian

    2015-01-01

    Limited research has examined relationship development among lesbian, gay, bisexual, and transgender (LGBT) couples in emerging adulthood. A better understanding of LGBT couples can inform the development of relationship education programs that reflect their unique needs. The following questions guided this study: 1) what are the stages and processes during young LGBT couples’ relationship development? and 2) how do these compare to existing literature on heterosexual adults? A secondary goal was to explore similarities and differences between couples assigned male (MAAB) and female at birth (FAAB). Thirty-six couples completed interviews on their relationship history. Qualitative analyses showed that relationship stages and processes were similar to past research on heterosexuals, but participants’ subjective experiences reflected their LGBT identities and emerging adulthood, which exerted additional stress on the relationship. These factors also affected milestones indicative of commitment among heterosexual adults (e.g., introducing partner to family). Mixed-methods analyses indicated that MAAB couples described negotiating relationship agreements and safe sex in more depth than FAAB couples. Relationship development models warrant modifications to consider the impact of sexual and gender identity and emerging adulthood when applied to young LGBT couples. These factors should be addressed in interventions to promote relationship health among young LGBT couples. PMID:26053345

  10. A protonation-coupled feedback mechanism controls the signalling process in bathy phytochromes

    NASA Astrophysics Data System (ADS)

    Velazquez Escobar, Francisco; Piwowarski, Patrick; Salewski, Johannes; Michael, Norbert; Fernandez Lopez, Maria; Rupp, Anna; Muhammad Qureshi, Bilal; Scheerer, Patrick; Bartl, Franz; Frankenberg-Dinkel, Nicole; Siebert, Friedrich; Andrea Mroginski, Maria; Hildebrandt, Peter

    2015-05-01

    Phytochromes are bimodal photoswitches composed of a photosensor and an output module. Photoactivation of the sensor is initiated by a double bond isomerization of the tetrapyrrole chromophore and eventually leads to protein conformational changes. Recently determined structural models of phytochromes identify differences between the inactive and the signalling state but do not reveal the mechanism of photosensor activation or deactivation. Here, we report a vibrational spectroscopic study on bathy phytochromes that demonstrates that the formation of the photoactivated state and thus (de)activation of the output module is based on proton translocations in the chromophore pocket coupling chromophore and protein structural changes. These proton transfer steps, involving the tetrapyrrole and a nearby histidine, also enable thermal back-isomerization of the chromophore via keto-enol tautomerization to afford the initial dark state. Thus, the same proton re-arrangements inducing the (de)activation of the output module simultaneously initiate the reversal of this process, corresponding to a negative feedback mechanism.

  11. Characteristics of pulsed internal inductively coupled plasma for next generation display processing.

    PubMed

    Kim, Tae Hyung; Lee, Seung Min; Lee, Chul Hee; Bae, Jeong Oun; Yeom, Geun Young; Kim, Kyong Nam

    2014-12-01

    RF pulsed plasma characteristics of inductively coupled plasma (ICP) sources operated with internal linear type antennas for the next generation display processing were investigated. By applying the rf pulse mode in the ICP source, with decreasing the rf pulse duty percentage, the average electron temperature was decreased and the plasma non-uniformity was improved with decreasing the rf pulse duty percentage. In the case of plasma uniformity, for the same time average rf power of 3 kW to the ICP source, the plasma non-uniformity was improved from 8.4% at 100% of rf duty percentage to 6.4% at 60% of rf duty percentage due to the increased diffusion of the plasma during the pulse-off time. When SiO2 was etched using CF4, the etch rate uniformity was also improved due to the improvement of plasma uniformity. PMID:25971107

  12. Localization in covariance matrices of coupled heterogenous Ornstein-Uhlenbeck processes

    NASA Astrophysics Data System (ADS)

    Barucca, Paolo

    2014-12-01

    We define a random-matrix ensemble given by the infinite-time covariance matrices of Ornstein-Uhlenbeck processes at different temperatures coupled by a Gaussian symmetric matrix. The spectral properties of this ensemble are shown to be in qualitative agreement with some stylized facts of financial markets. Through the presented model formulas are given for the analysis of heterogeneous time series. Furthermore evidence for a localization transition in eigenvectors related to small and large eigenvalues in cross-correlations analysis of this model is found, and a simple explanation of localization phenomena in financial time series is provided. Finally we identify both in our model and in real financial data an inverted-bell effect in correlation between localized components and their local temperature: high- and low-temperature components are the most localized ones.

  13. Frequency dependent plasma characteristics in a capacitively coupled 300 mm wafer plasma processing chamber.

    SciTech Connect

    Hebner, Gregory Albert; Holland, J.P.; Paterson, A.M.; Barnat, Edward V.; Miller, Paul Albert

    2006-01-01

    Argon plasma characteristics in a dual-frequency, capacitively coupled, 300 mm-wafer plasma processing system were investigated for rf drive frequencies between 10 and 190 MHz. We report spatial and frequency dependent changes in plasma parameters such as line-integrated electron density, ion saturation current, optical emission and argon metastable density. For the conditions investigated, the line-integrated electron density was a nonlinear function of drive frequency at constant rf power. In addition, the spatial distribution of the positive ions changed from uniform to peaked in the centre as the frequency was increased. Spatially resolved optical emission increased with frequency and the relative optical emission at several spectral lines depended on frequency. Argon metastable density and spatial distribution were not a strong function of drive frequency. Metastable temperature was approximately 400 K.

  14. Multi-scale Characterization and Prediction of Coupled Subsurface Biogeochemical-Hydrological Processes

    SciTech Connect

    Hubbard, Susan; Williams, Ken; Steefel, Carl; Banfield, Jill; Long, Phil; Slater, Lee; Pride, Steve; Jinsong Chen

    2006-06-01

    To advance solutions needed for remediation of DOE contaminated sites, approaches are needed that can elucidate and predict reactions associated with coupled biological, geochemical, and hydrological processes over a variety of spatial scales and in heterogeneous environments. Our previous laboratory experimental experiments, which were conducted under controlled and homogeneous conditions, suggest that geophysical methods have the potential for elucidating system transformations that often occur during remediation. Examples include tracking the onset and aggregation of precipitates associated with sulfate reduction using seismic and complex resistivity methods (Williams et al., 2005; Ntarlagiannis et al., 2005) as well as estimating the volume of evolved gas associated with denitrification using radar velocity. These exciting studies illustrated that geophysical responses correlated with biogeochemical changes, but also that multiple factors could impact the geophysical signature and thus a better understanding as well as integration tools were needed to advance the techniques to the point where they can be used to provide quantitative estimates of system transformations.

  15. Development of a Cryosphere Land Surface Model with Coupled Snow and Frozen Soil Processes

    NASA Astrophysics Data System (ADS)

    Wang, L.; Sun, L.; Yang, K.; Tian, L.

    2015-12-01

    In this study, a land surface model with coupled snow and frozen soil physics has been developed by improving the formulations of snow and frozen soil for a hydrologically-improved land surface model (HydroSiB2). First, an energy-balance based 3-layer snow model has been incorporated into the HydroSiB2 (hereafter HydroSiB2-S) for an improved description of internal processes of snow pack. Second, a universal and simplified soil model has been coupled with HydroSiB2-S to enable the calculation of soil water freezing and thawing (hereafter HydroSiB2-SF). In order to avoid the instability caused by the uncertainty in estimating water phase changes, enthalpy is adopted as a prognostic variable instead of snow/soil temperature in the energy balance equation of the snow/frozen soil module. The newly developed models were then rigorously evaluated at two typical sites over Tibetan Plateau (one snowy and the other non-snowy, with both underlying frozen soil). At the snowy site in northeast TP (DY in the upper Hei River), HydroSiB2-SF demonstrated significant improvements over HydroSiB2-F (that is the model same as HydroSiB2-SF but using the original single-layer snow module of HydroSiB2), showing the importance of snow internal processes described by 3-layer snow parameterization. At the non-snowy site in southwest TP (Ngari, extremely dry), HydroSiB2-SF gave reasonable simulations of soil water phase changes while HydroSiB2-S did not, indicating the crucial role of frozen soil module in depicting the soil thermal and water dynamics. Finally, HydroSiB2-SF was proved capable of simulating upward moisture fluxes towards freezing front from the unfrozen soil layers below in winter.

  16. Forest Succession and Climate Change: Coupling Land-Surface Processes and Ecological Dynamics.

    NASA Astrophysics Data System (ADS)

    Martin, Philippe

    Growing evidence supports the hypothesis that humans are in the process of inadvertently modifying the Earth's climate by increasing the atmospheric concentrations of carbon dioxide and other radiatively active trace gases. The present man-induced climatic change, often referred to as the "greenhouse effect", is different from natural changes because of its unprecedented pace and our incomplete knowledge of its consequences. As some scientists put it, humanity is performing on itself a "global experiment" which may entail a number of surprises. The potential changes in the behavior of atmosphere/biosphere interactions are of particular importance. Such changes could affect atmospheric dynamics, the local and regional hydrology, the global biogeochemistry, and, therefore, human societies. In the present thesis, five distinct aspects of climate/vegetation interactions are examined. First, the climatically and physiologically mediated impacts of increases in the concentration of carbon dioxide on the evaporation from agricultural crops, grassland, and forests are investigated using the Penman-Monteith combination equation. Second, the degree of coupling between the vegetation and the atmosphere, as defined by Jarvis and McNaughton, is reexamined taking radiative losses from the vegetation to the atmosphere into account. Third, the effects of changes in the mean vs. the variance of climatic variables are investigated using a modified version of the forest dynamics model developed by Pastor and Post, LINK-AGES. Fourth, using the same model, changes in the production of non -methane hydrocarbons are estimated as climate and/or vegetation change. Finally, the main part of the thesis focuses on the response of forests to climatic changes using a model treating the physics of energy and water exchange in detail. Because the Energy, water, and momentum eXchange, and Ecological dynamics model (EXE), couples the land-surface processes and the ecological dynamics of forests of

  17. MODELING COUPLED PROCESSES OF MULTIPHASE FLOW AND HEAT TRANSFER IN UNSATURATED FRACTURED ROCK

    SciTech Connect

    Y. Wu; S. Mukhopadhyay; K. Zhang; G.S. Bodvarsson

    2006-02-28

    A mountain-scale, thermal-hydrologic (TH) numerical model is developed for investigating unsaturated flow behavior in response to decay heat from the radioactive waste repository at Yucca Mountain, Nevada, USA. The TH model, consisting of three-dimensional (3-D) representations of the unsaturated zone, is based on the current repository design, drift layout, and thermal loading scenario under estimated current and future climate conditions. More specifically, the TH model implements the current geological framework and hydrogeological conceptual models, and incorporates the most updated, best-estimated input parameters. This mountain-scale TH model simulates the coupled TH processes related to mountain-scale multiphase fluid flow, and evaluates the impact of radioactive waste heat on the hydrogeological system, including thermally perturbed liquid saturation, gas- and liquid-phase fluxes, and water and rock temperature elevations, as well as the changes in water flux driven by evaporation/condensation processes and drainage between drifts. For a better description of the ambient geothermal condition of the unsaturated zone system, the TH model is first calibrated against measured borehole temperature data. The ambient temperature calibration provides the necessary surface and water table boundary as well as initial conditions. Then, the TH model is used to obtain scientific understanding of TH processes in the Yucca Mountain unsaturated zone under the designed schedule of repository thermal load.

  18. Influence of coupling of sorption and photosynthetic processes on trace element cycles in natural waters

    USGS Publications Warehouse

    Fuller, C.C.; Davis, J.A.

    1989-01-01

    Chemical and biological processes have important roles in the transport and cycling of trace elements in natural waters, but their complex interactions are often not well understood. Trace-element concentrations may, for example, be controlled by adsorption-desorption reactions at mineral surfaces, with the equilibrium strongly influenced by pH. Variations in pH due to photosynthetic activity should result in concentration fluctuations as the adsorption-desorption equilibrium shifts with pH. To investigate these interactions, we have studied the effect of diurnal cycling of pH on dissolved arsenate in a perennial stream contaminated with arsenic. As expected, a diurnal cycle in arsenate concentration was observed, but surprisingly, the arsenate cycle lags several hours behind the pH cycle. Laboratory experiments show that the lag results from a slow approach to sorption equilibrium. Our observations demonstrate that the coupling of photosynthesis and sorption processes may have an important influence on the cycling of many trace elements and emphasize the importance of understanding sorption kinetics in modelling these processes.

  19. Modeling and Field Study of Coupled Bio-Optical Physical Processes in the Monterey Bay Area.

    NASA Astrophysics Data System (ADS)

    Shulman, I.; Arnone, R.; Teague, W.; Chavez, F.; Schofield, O.; Moline, M.; Penta, B.; Ryan, J.; Gould, R.; Anderson, S.; Jolliff, J. K.; Book, J. W.; Derada, S.; Paduan, J. D.

    2008-12-01

    Scientists from government, academia and non-profit organizations participated in an interdisciplinary field program in the Monterey Bay from during May-June of 2008. The experiment was a collaboration between the NRL project "Bio-Optical Studies of Predictability and Assimilation for the Coastal Environment (BIOSPACE)", Multidisciplinary University Research Initiative (MURI) project "Rapid Environmental Assessment Using an Integrated Coastal Ocean Observation-Modeling System (ESPRESSO)", the Monterey Bay Aquarium Research Institute (MBARI), the NRL project "Unattended Sea-bed Power for In-water Operations", and the U.S. Geological Survey. Objectives of the NRL BIOSPACE and MURI ESPRESSO projects are centered around developing an understanding of coupled bio-optical and physical processes in the coastal zone and improvements of predictability of coastal ocean optical properties on time scales of 1-5 days. MBARI has long-term objectives of monitoring, studying and managing the Monterey Bay ecosystem dynamics and health. The goals for the 2008 field program were to create a synoptic view of the coupled bio- optical physical conditions in the Monterey Bay and to relate satellite observed properties to their subsurface structure. The program was focused on the so-called "upwelling shadow area"(northern part of the bay), where biological processes are enhanced as a result of the slower physical dynamics. The field program deployed a wide range of assets: gliders, AUVs, ScanFish (a ship-towed platform), SEPTR, etc. This deployment was supplemented with intensive station sampling from the R/V Point Sur and satellite ocean color imagery (MODIS, MERIS). The field program was supported by a real-time modeling effort consisting of a hierarchy of different resolution, nested, data assimilating, coupled bio-optical physical models. Development of a pair of cyclonic (in the bay) and anticyclonic (outside of the bay) eddies was observed and predicted by the model during an

  20. Advanced low carbon-to-nitrogen ratio wastewater treatment by electrochemical and biological coupling process.

    PubMed

    Deng, Shihai; Li, Desheng; Yang, Xue; Zhu, Shanbin; Xing, Wei

    2016-03-01

    Nitrogen pollution in ground and surface water significantly affects the environment and its organisms, thereby leading to an increasingly serious environmental problem. Such pollution is difficult to degrade because of the lack of carbon sources. Therefore, an electrochemical and biological coupling process (EBCP) was developed with a composite catalytic biological carrier (CCBC) and applied in a pilot-scale cylindrical reactor to treat wastewater with a carbon-to-nitrogen (C/N) ratio of 2. The startup process, coupling principle, and dynamic feature of the EBCP were examined along with the effects of hydraulic retention time (HRT), dissolved oxygen (DO), and initial pH on nitrogen removal. A stable coupling system was obtained after 51 days when plenty of biofilms were cultivated on the CCBC without inoculation sludge. Autotrophic denitrification, with [Fe(2+)] and [H] produced by iron-carbon galvanic cells in CCBC as electron donors, was confirmed by equity calculation of CODCr and nitrogen removal. Nitrogen removal efficiency was significantly influenced by HRT, DO, and initial pH with optimal values of 3.5 h, 3.5 ± 0.1 mg L(-1), and 7.5 ± 0.1, respectively. The ammonia, nitrate, and total nitrogen (TN) removal efficiencies of 90.1 to 95.3 %, 90.5 to 99.0 %, and 90.3 to 96.5 % were maintained with corresponding initial concentrations of 40 ± 2 mg L(-1) (NH3-N load of 0.27 ± 0.01 kg NH3-N m(-3) d(-1)), 20 ± 1 mg L(-1), and 60 ± 2 mg L(-1) (TN load of 0.41 ± 0.02 kg TN m(-3) d(-1)). Based on the Eckenfelder model, the kinetics equation of the nitrogen transformation along the reactor was N e  = N 0 exp (-0.04368 h/L(1.8438)). Hence, EBCP is a viable method for advanced low C/N ratio wastewater treatment. PMID:26564190

  1. Advanced low carbon-to-nitrogen ratio wastewater treatment by electrochemical and biological coupling process.

    PubMed

    Deng, Shihai; Li, Desheng; Yang, Xue; Zhu, Shanbin; Xing, Wei

    2016-03-01

    Nitrogen pollution in ground and surface water significantly affects the environment and its organisms, thereby leading to an increasingly serious environmental problem. Such pollution is difficult to degrade because of the lack of carbon sources. Therefore, an electrochemical and biological coupling process (EBCP) was developed with a composite catalytic biological carrier (CCBC) and applied in a pilot-scale cylindrical reactor to treat wastewater with a carbon-to-nitrogen (C/N) ratio of 2. The startup process, coupling principle, and dynamic feature of the EBCP were examined along with the effects of hydraulic retention time (HRT), dissolved oxygen (DO), and initial pH on nitrogen removal. A stable coupling system was obtained after 51 days when plenty of biofilms were cultivated on the CCBC without inoculation sludge. Autotrophic denitrification, with [Fe(2+)] and [H] produced by iron-carbon galvanic cells in CCBC as electron donors, was confirmed by equity calculation of CODCr and nitrogen removal. Nitrogen removal efficiency was significantly influenced by HRT, DO, and initial pH with optimal values of 3.5 h, 3.5 ± 0.1 mg L(-1), and 7.5 ± 0.1, respectively. The ammonia, nitrate, and total nitrogen (TN) removal efficiencies of 90.1 to 95.3 %, 90.5 to 99.0 %, and 90.3 to 96.5 % were maintained with corresponding initial concentrations of 40 ± 2 mg L(-1) (NH3-N load of 0.27 ± 0.01 kg NH3-N m(-3) d(-1)), 20 ± 1 mg L(-1), and 60 ± 2 mg L(-1) (TN load of 0.41 ± 0.02 kg TN m(-3) d(-1)). Based on the Eckenfelder model, the kinetics equation of the nitrogen transformation along the reactor was N e  = N 0 exp (-0.04368 h/L(1.8438)). Hence, EBCP is a viable method for advanced low C/N ratio wastewater treatment.

  2. Two-dimensional spectroscopy: An approach to distinguish Förster and Dexter transfer processes in coupled nanostructures

    NASA Astrophysics Data System (ADS)

    Specht, Judith F.; Knorr, Andreas; Richter, Marten

    2015-04-01

    The linear and two-dimensional coherent optical spectra of Coulomb-coupled quantum emitters are discussed with respect to the underlying coupling processes. We present a theoretical analysis of the two different resonance energy transfer mechanisms between coupled nanostructures: Förster and Dexter interaction. Our investigation shows that the features visible in optical spectra of coupled quantum dots can be traced back to the nature of the underlying coupling mechanism (Förster or Dexter). Therefore, we discuss how the excitation transfer pathways can be controlled by choosing particular laser polarizations and mutual orientations of the quantum emitters in coherent two-dimensional spectroscopy. In this context, we analyze to what extent the delocalized double-excitonic states are bound to the optical selection rules of the uncoupled system.

  3. Providing a Connection between a Bayesian Inverse Modeling Tool and a Coupled Hydrogeological Processes Modeling Software

    NASA Astrophysics Data System (ADS)

    Frystacky, H.; Osorio-Murillo, C. A.; Over, M. W.; Kalbacher, T.; Gunnell, D.; Kolditz, O.; Ames, D.; Rubin, Y.

    2013-12-01

    The Method of Anchored Distributions (MAD) is a Bayesian technique for characterizing the uncertainty in geostatistical model parameters. Open-source software has been developed in a modular framework such that this technique can be applied to any forward model software via a driver. This presentation is about the driver that has been developed for OpenGeoSys (OGS), open-source software that can simulate many hydrogeological processes, including couple processes. MAD allows the use of multiple data types for conditioning the spatially random fields and assessing model parameter likelihood. For example, if simulating flow and mass transport, the inversion target variable could be hydraulic conductivity and the inversion data types could be head, concentration, or both. The driver detects from the OGS files which processes and variables are being used in a given project and allows MAD to prompt the user to choose those that are to be modeled or to be treated deterministically. In this way, any combination of processes allowed by OGS can have MAD applied. As for the software, there are two versions, each with its own OGS driver. A Windows desktop version is available as a graphical user interface and is ideal for the learning and teaching environment. High-throughput computing can even be achieved with this version via HTCondor if large projects want to be pursued in a computer lab. In addition to this desktop application, a Linux version is available equipped with MPI such that it can be run in parallel on a computer cluster. All releases can be downloaded from the MAD Codeplex site given below.

  4. Complex polyfluoride additives in Fmoc-amino acid fluoride coupling processes. Enhanced reactivity and avoidance of stereomutation.

    PubMed

    Carpino, Louis A; Ionescu, Dumitru; El-Faham, Ayman; Beyermann, Michael; Henklein, Peter; Hanay, Christiane; Wenschuh, Holger; Bienert, Michael

    2003-04-01

    [reaction: see text] Isolated Fmoc amino acid fluorides have previously been shown to be among the most efficient reagents for peptide bond formation. Now, it has been found that anionic, polyhydrogen fluoride additives are capable of diverting many of the classical peptide coupling processes to acid fluoride couplings. Examples include the use of N-HBTU or N-HATU and the carbodiimide technique. As HF-containing species, these additives provide a more suitable medium for the coupling of systems that are sensitive to loss of configuration at the reactive carboxyl function.

  5. Scaling analysis of the coupled heat transfer process in the high-temperature gas-cooled reactor core

    SciTech Connect

    Conklin, J.C.

    1986-08-01

    The differential equations representing the coupled heat transfer from the solid nuclear core components to the helium in the coolant channels are scaled in terms of representative quantities. This scaling process identifies the relative importance of the various terms of the coupled differential equations. The relative importance of these terms is then used to simplify the numerical solution of the coupled heat transfer for two bounding cases of full-power operation and depressurization from full-system operating pressure for the Fort St. Vrain High-Temperature Gas-Cooled Reactor. This analysis rigorously justifies the simplified system of equations used in the nuclear safety analysis effort at Oak Ridge National Laboratory.

  6. Investigating the Uplift of Southern Africa Using Coupled Thermo-mechanical and Surface Processes Models

    NASA Astrophysics Data System (ADS)

    Beucher, R.; Huismans, R. S.; Brown, R. W.; Robin, C.

    2014-12-01

    The topography of southern and eastern Africa (referred to as the African Superswell by Nyblade and Robinson, 1994) is anomalously high (> 900m) relative to central and west Africa, and also to other continents. The southern tip of Africa is surrounded by passive margins and mid ocean ridges as a result of continental rifting (early Jurassic in the east, late Jurassic in the west) and Gondwana break up. Recent studies have also identified the Earth's largest low seismic velocity anomaly in the mid-lower mantle beneath southern Africa and catalysed interest in the role the interactions between surface and deep processes play in generating large scale topography. Understanding how the relief evolved since rifting onset is fundamental to advancing knowledge about the coupling between deep tectonics and dynamic topography. Such a large scale topographic feature may also have important impact on atmosphere circulation and precipitations patterns. The complexity of such a system requires an integrated approach looking at interactions between tectonics and surface processes on a range of spatial and temporal scales. We use high-resolution numerical experiments coupling a 2D upper-mantle-scale thermo-mechanical model with a plan-form 2D surface processes model (SPM) to investigate the factors controlling the style of deformation. The experiments consist in simple extension models involving lithosphere with variable thickness (normal-like lithosphere to thick cratonic-like lithosphere) and explore the effects of rheological and compositional variability of the layer components of the crust and the lithosphere. Tomography and geochemistry evidences suggest a possible counterflow in the lower lithosphere in parts of the African western margins. We discuss the effect of a gravitationally driven lithospheric counterflow of depleted lower lithosphere (compositionally less dense than sublithospheric mantle) on the rift geometry and the effect of the isostatic responses in terms

  7. Experimental and Computational Studies of Coupled Geomechanical and Hydrologic Processes in Wellbore Systems (Invited)

    NASA Astrophysics Data System (ADS)

    Carey, J. W.; Mori, H.; Porter, M. L.; Lewis, K. C.; Kelkar, S.

    2013-12-01

    Potential leakage from wells is an important issue in the protection of groundwater resources, CO2 sequestration, and hydraulic fracturing. The first defense in all of these applications is a properly constructed well with adequate Portland cement that effectively isolates the subsurface. The chief threat for such wells is mechanical disruption of the cement, cement/steel, or cement/caprock interfaces. This can occur through wellbore operations that pressurize/depressurize the steel tubing or create temperature transients (e.g., injection, production, hydraulic fracturing, and mechanical testing) as well as reservoir-scale stresses (e.g., filling or depletion of the reservoir) and tectonic stresses (e.g., the mobility of salt). However, there is relatively limited information available on the hydrologic consequences of such processes. Toward this end, we discuss recent experiments and computational models of coupled geomechanical and hydrologic processes in wellbore systems. Triaxial coreflood experiments with tomography were conducted on synthetic wellbore systems including cement-steel, rock-cement and rock-cement-steel composites. The aim of the experiments was to induce stresses through application of axial loads in order to create defects within the cement or at the cement/steel or cement/rock interface. High injection fluid pressures (supercritical CO2 × brine) were applied to the base of the initially impermeable composites. Mechanical failure resulted in creation of permeability, which was measured as a function of time (allowing for the possibility of Portland cement to deform and modify permeability). In addition, fracture patterns were characterized using x-ray tomography. We used the computer code FEHM to study coupled hydrologic and mechanical processes in the near-wellbore environment. The wellbore model was developed as a wedge within a radially symmetric 3D volume. The grid elements consist of the steel casing, the casing-cement interface, the

  8. Coupled modeling of groundwater flow solute transport, chemical reactions and microbial processes in the 'SP' island

    SciTech Connect

    Samper, Javier; Molinero, Jorg; Changbing, Yang; Zhang, Guoxiang

    2003-12-01

    The Redox Zone Experiment was carried out at the Aespoe HRL in order to study the redox behavior and the hydrochemistry of an isolated vertical fracture zone disturbed by the excavation of an access tunnel. Overall results and interpretation of the Redox Zone Project were reported by /Banwart et al, 1995/. Later, /Banwart et al, 1999/ presented a summary of the hydrochemistry of the Redox Zone Experiment. Coupled groundwater flow and reactive transport models of this experiment were carried out by /Molinero, 2000/ who proposed a revised conceptual model for the hydrogeology of the Redox Zone Experiment which could explain simultaneously measured drawdown and salinity data. The numerical model was found useful to understand the natural system. Several conclusions were drawn about the redox conditions of recharge waters, cation exchange capacity of the fracture zone and the role of mineral phases such as pyrite, calcite, hematite and goethite. This model could reproduce the measured trends of dissolved species, except for bicarbonate and sulfate which are affected by microbially-mediated processes. In order to explore the role of microbial processes, a coupled numerical model has been constructed which accounts for water flow, reactive transport and microbial processes. The results of this model is presented in this report. This model accounts for groundwater flow and reactive transport in a manner similar to that of /Molinero, 2000/ and extends the preliminary microbial model of /Zhang, 2001/ by accounting for microbially-driven organic matter fermentation and organic matter oxidation. This updated microbial model considers simultaneously the fermentation of particulate organic matter by yeast and the oxidation of dissolved organic matter, a product of fermentation. Dissolved organic matter is produced by yeast and serves also as a substrate for iron-reducing bacteria. Model results reproduce the observed increase in bicarbonate and sulfate concentration, thus

  9. The Interdependence of Plate Coupling Processes, Subduction Rate, and Asthenospheric Pressure Drop across Subducting Slabs

    NASA Astrophysics Data System (ADS)

    Royden, L.; Holt, A.; Becker, T. W.

    2015-12-01

    One advantage of analytical models, in which analytic expressions are used for the various components of the subduction system, is the efficient exploration of parameter space and identification of the physical mechanisms controlling a wide breadth of slab kinematics. We show that, despite subtle differences in how plate interfaces and boundary conditions are implemented, results for single subduction from a 3-D semi-analytical model for subduction FAST (Royden & Husson, 2006; Jagoutz et al., 2015) and from the numerical finite-element model CitcomCU (Moresi & Gurnis, 1996, Zhong et al., 2006) are in excellent agreement when plate coupling (via shear stress on the plate interface) takes place in the FAST without the development of topographic relief at the plate boundary. Results from the two models are consistent across a variety of geometries, with fixed upper plate, fixed lower plate, and stress-free plate ends. When the analytical model is modified to include the development of topography above the subduction boundary, subduction rates are greatly increased, indicating a strong sensitivity of subduction to the mode of plate coupling. Rates of subduction also correlate strongly with the asthenospheric pressure drop across the subducting slab, which drives toroidal flow of the asthenosphere around the slab. When the lower plate is fixed, subduction is relatively slow and the pressure drop from below to above the slab is large, inhibiting subduction and slab roll-back. When the upper plate is fixed and when the plate ends are stress-free, subduction rates are approximately 50% faster and the corresponding asthenospheric pressure drop from below to above the slab is small, facilitating rapid subduction. This qualitative correlation between plate coupling processes, asthenospheric pressure drop, and rates of subduction can be extended to systems with more than one subduction zone (Holt et al., 2015 AGU Fall Abstract). Jagoutz, O., Royden, L., Holt, A. & Becker, T. W

  10. Coupled turbulent flow, heat, and solute transport in continuous casting processes

    NASA Astrophysics Data System (ADS)

    Aboutalebi, M. Reza; Hasan, M.; Guthrie, R. I. L.

    1995-08-01

    A fully coupled fluid flow, heat, and solute transport model was developed to analyze turbulent flow, solidification, and evolution of macrosegregation in a continuous billet caster. Transport equations of total mass, momentum, energy, and species for a binary iron-carbon alloy system were solved using a continuum model, wherein the equations are valid for the solid, liquid, and mushy zones in the casting. A modified version of the low-Reynolds number k-ɛ model was adopted to incorporate turbulence effects on transport processes in the system. A control-volume-based finite-difference procedure was employed to solve the conservation equations associated with appropriate boundary conditions. Because of high nonlinearity in the system of equations, a number of techniques were used to accelerate the convergence process. The effects of the parameters such as casting speed, steel grade, nozzle configuration on flow pattern, solidification profile, and carbon segregation were investigated. From the computed flow pattern, the trajectory of inclusion particles, as well as the density distribution of the particles, was calculated. Some of the computed results were compared with available experimental measurements, and reasonable agreements were obtained.

  11. Numerical investigation of coupled density-driven flow and hydrogeochemical processes below playas

    NASA Astrophysics Data System (ADS)

    Hamann, Enrico; Post, Vincent; Kohfahl, Claus; Prommer, Henning; Simmons, Craig T.

    2015-11-01

    Numerical modeling approaches with varying complexity were explored to investigate coupled groundwater flow and geochemical processes in saline basins. Long-term model simulations of a playa system gain insights into the complex feedback mechanisms between density-driven flow and the spatiotemporal patterns of precipitating evaporites and evolving brines. Using a reactive multicomponent transport model approach, the simulations reproduced, for the first time in a numerical study, the evaporite precipitation sequences frequently observed in saline basins ("bull's eyes"). Playa-specific flow, evapoconcentration, and chemical divides were found to be the primary controls for the location of evaporites formed, and the resulting brine chemistry. Comparative simulations with the computationally far less demanding surrogate single-species transport models showed that these were still able to replicate the major flow patterns obtained by the more complex reactive transport simulations. However, the simulated degree of salinization was clearly lower than in reactive multicomponent transport simulations. For example, in the late stages of the simulations, when the brine becomes halite-saturated, the nonreactive simulation overestimated the solute mass by almost 20%. The simulations highlight the importance of the consideration of reactive transport processes for understanding and quantifying geochemical patterns, concentrations of individual dissolved solutes, and evaporite evolution.

  12. Process monitored spectrophotometric titration coupled with chemometrics for simultaneous determination of mixtures of weak acids.

    PubMed

    Liao, Lifu; Yang, Jing; Yuan, Jintao

    2007-05-15

    A new spectrophotometric titration method coupled with chemometrics for the simultaneous determination of mixtures of weak acids has been developed. In this method, the titrant is a mixture of sodium hydroxide and an acid-base indicator, and the indicator is used to monitor the titration process. In a process of titration, both the added volume of titrant and the solution acidity at each titration point can be obtained simultaneously from an absorption spectrum by least square algorithm, and then the concentration of each component in the mixture can be obtained from the titration curves by principal component regression. The method only needs the information of absorbance spectra to obtain the analytical results, and is free of volumetric measurements. The analyses are independent of titration end point and do not need the accurate values of dissociation constants of the indicator and the acids. The method has been applied to the simultaneous determination of the mixtures of benzoic acid and salicylic acid, and the mixtures of phenol, o-chlorophenol and p-chlorophenol with satisfactory results.

  13. Oil refinery wastewater treatment using coupled electrocoagulation and fixed film biological processes

    NASA Astrophysics Data System (ADS)

    Pérez, Laura S.; Rodriguez, Oscar M.; Reyna, Silvia; Sánchez-Salas, José Luis; Lozada, J. Daniel; Quiroz, Marco A.; Bandala, Erick R.

    2016-02-01

    Oil refinery wastewater was treated using a coupled treatment process including electrocoagulation (EC) and a fixed film aerobic bioreactor. Different variables were tested to identify the best conditions using this procedure. After EC, the effluent was treated in an aerobic biofilter. EC was capable to remove over 88% of the overall chemical oxygen demand (COD) in the wastewater under the best working conditions (6.5 V, 0.1 M NaCl, 4 electrodes without initial pH adjustment) with total petroleum hydrocarbon (TPH) removal slightly higher than 80%. Aluminum release from the electrodes to the wastewater was found an important factor for the EC efficiency and closely related with several operational factors. Application of EC allowed to increase the biodegradability of the sample from 0.015, rated as non-biodegradable, up to 0.5 widely considered as biodegradable. The effluent was further treated using an aerobic biofilter inoculated with a bacterial consortium including gram positive and gram negative strains and tested for COD and TPH removal from the EC treated effluent during 30 days. Cell count showed the typical bacteria growth starting at day three and increasing up to a maximum after eight days. After day eight, cell growth showed a plateau which agreed with the highest decrease on contaminant concentration. Final TPHs concentration was found about 600 mgL-1 after 30 days whereas COD concentration after biological treatment was as low as 933 mgL-1. The coupled EC-aerobic biofilter was capable to remove up to 98% of the total TPH amount and over 95% of the COD load in the oil refinery wastewater.

  14. Oil refinery wastewater treatment using coupled electrocoagulation and fixed film biological processes

    NASA Astrophysics Data System (ADS)

    Pérez, Laura S.; Rodriguez, Oscar M.; Reyna, Silvia; Sánchez-Salas, José Luis; Lozada, J. Daniel; Quiroz, Marco A.; Bandala, Erick R.

    2016-02-01

    Oil refinery wastewater was treated using a coupled treatment process including electrocoagulation (EC) and a fixed film aerobic bioreactor. Different variables were tested to identify the best conditions using this procedure. After EC, the effluent was treated in an aerobic biofilter. EC was capable to remove over 88% of the overall chemical oxygen demand (COD) in the wastewater under the best working conditions (6.5 V, 0.1 M NaCl, 4 electrodes without initial pH adjustment) with total petroleum hydrocarbon (TPH) removal slightly higher than 80%. Aluminum release from the electrodes to the wastewater was found an important factor for the EC efficiency and closely related with several operational factors. Application of EC allowed to increase the biodegradability of the sample from 0.015, rated as non-biodegradable, up to 0.5 widely considered as biodegradable. The effluent was further treated using an aerobic biofilter inoculated with a bacterial consortium including gram positive and gram negative strains and tested for COD and TPH removal from the EC treated effluent during 30 days. Cell count showed the typical bacteria growth starting at day three and increasing up to a maximum after eight days. After day eight, cell growth showed a plateau which agreed with the highest decrease on contaminant concentration. Final TPHs concentration was found about 600 mgL-1 after 30 days whereas COD concentration after biological treatment was as low as 933 mgL-1. The coupled EC-aerobic biofilter was capable to remove up to 98% of the total TPH amount and over 95% of the COD load in the oil refinery wastewater.

  15. Comprehensive Representation of Hydrologic and Geomorphic Process Coupling in Numerical Models: Internal Dynamics and Basin Evolution

    NASA Astrophysics Data System (ADS)

    Istanbulluoglu, E.; Vivoni, E. R.; Ivanov, V. Y.; Bras, R. L.

    2005-12-01

    Landscape morphology has an important control on the spatial and temporal organization of basin hydrologic response to climate forcing, affecting soil moisture redistribution as well as vegetation function. On the other hand, erosion, driven by hydrology and modulated by vegetation, produces landforms over geologic time scales that reflect characteristic signatures of the dominant land forming process. Responding to extreme climate events or anthropogenic disturbances of the land surface, infrequent but rapid forms of erosion (e.g., arroyo development, landsliding) can modify topography such that basin hydrology is significantly influenced. Despite significant advances in both hydrologic and geomorphic modeling over the past two decades, the dynamic interactions between basin hydrology, geomorphology and terrestrial ecology are not adequately captured in current model frameworks. In order to investigate hydrologic-geomorphic-ecologic interactions at the basin scale we present initial efforts in integrating the CHILD landscape evolution model (Tucker et al. 2001) with the tRIBS hydrology model (Ivanov et al. 2004), both developed in a common software environment. In this talk, we present preliminary results of the numerical modeling of the coupled evolution of basin hydro-geomorphic response and resulting landscape morphology in two sets of examples. First, we discuss the long-term evolution of both the hydrologic response and the resulting basin morphology from an initially uplifted plateau. In the second set of modeling experiments, we implement changes in climate and land-use to an existing topography and compare basin hydrologic response to the model results when landscape form is fixed (e.g. no coupling between hydrology and geomorphology). Model results stress the importance of internal basin dynamics, including runoff generation mechanisms and hydrologic states, in shaping hydrologic response as well as the importance of employing comprehensive

  16. A coupled thermodynamic/kinetic model for diffusional processes in superalloys

    SciTech Connect

    Matan, N.; Winand, H.M.A.; Carter, P.; Karunaratne, M.; Bogdanoff, P.D.; Reed, R.C.

    1998-08-10

    A coupled thermodynamic/kinetic model for diffusional processes in superalloys is described. Use is made of the generalized force-flux equations, and therefore an accurate knowledge of thermodynamical properties of the system is a prerequisite for the calculations. Calculations can be earned out in either the lattice-fixed (Kirkendall) or the mass-invariant (Matano) frame. In order to model transformations, e.g., involving the {gamma} and {gamma}{prime} phases, the concept of an interface sub-system is introduced. The numerical accuracy and stability associated with the treatment of the moving boundary is shown to be comparable to more traditional analyses which incorporate the Murray-Landis transformation. The results from the simulations are compared with experimental information, which includes (1) concentration profiles, (2) movement of inert markers and (3) observations of porosity formation. Particular attention is paid to the simulation of Ni-Al-Cr interdiffusion in the f.c.c. phase, for which reliable thermodynamic and kinetic information is available. Similar comparisons have been made for precipitation reactions involving the {gamma}{prime} phase, although the available information is very sparse. Observations made on a number of Ni-Ni{sub 3}(Al,Ti) couples can be simulated with a reasonable degree of accuracy. Particular advantages of the method are (1) the interface between phases is treated in a novel way, which avoids numerical difficulties arising from the estimation of concentration gradients at phase boundaries, (2) it can be readily extended to multicomponent systems, and (3) the treatment of the Kirkendall drift of vacancies. It is clear that there is a great need for experimentation aimed at deducing kinetic data, e.g., diffusional mobilities, particularly for the {gamma}{prime} phase.

  17. Technical Note: Coupling of chemical processes with the Modular Earth Submodel System (MESSy) submodel TRACER

    NASA Astrophysics Data System (ADS)

    Jöckel, P.; Kerkweg, A.; Buchholz, J.; Tost, H.; Sander, R.; Pozzer, A.

    2007-11-01

    The implementation of processes related to chemistry into Earth System Models and their coupling within such systems requires the consistent description of the chemical species involved. We provide a tool (written in Fortran95) to structure and manage information about constituents, herein after referred to as tracers, namely the Modular Earth Submodel System (MESSy) generic (i.e., infrastructure) submodel TRACER. With TRACER it is possible to define a multitude of tracer sets, depending on the spatio-temporal representation (i.e., the grid structure) of the model. The required information about a specific chemical species is split into the static meta-information about the characteristics of the species, and its (generally in time and space variable) abundance in the corresponding representation. TRACER moreover includes two submodels. One is TRACER_FAMILY, an implementation of the tracer family concept. It distinguishes between two types: type-1 families are usually applied to handle strongly related tracers (e.g., fast equilibrating species) for a specific process (e.g., advection). In contrast to this, type-2 families are applied for tagging techniques, in which specific species are artificially decomposed and associated with additional information, in order to conserve the linear relationship between the family and its members. The second submodel is TRACER_PDEF, which corrects and budgets numerical negative overshoots that arise in many process implementations due to the numerical limitations (limited precision, rounding errors). The submodel therefore guarantees the positive definiteness of the tracers and stabilises the integration scheme. As a by-product, it further provides a global tracer mass diagnostic. Last but not least, we present the submodel PTRAC for the definition of prognostic tracers via a Fortran95 namelist. TRACER with its submodels and PTRAC can readily be applied to a variety of models without further requirements. The code and a

  18. Coupled interactions between volatile activity and Fe oxidation state during arc crustal processes

    USGS Publications Warehouse

    Humphreys, Madeleine C.S.; Brooker, R; Fraser, D.C.; Burgisser, A; Mangan, Margaret T.; McCammon, C

    2015-01-01

    Arc magmas erupted at the Earth’s surface are commonly more oxidized than those produced at mid-ocean ridges. Possible explanations for this high oxidation state are that the transfer of fluids during the subduction process results in direct oxidation of the sub-arc mantle wedge, or that oxidation is caused by the effect of later crustal processes, including protracted fractionation and degassing of volatile-rich magmas. This study sets out to investigate the effect of disequilibrium crustal processes that may involve coupled changes in H2O content and Fe oxidation state, by examining the degassing and hydration of sulphur-free rhyolites. We show that experimentally hydrated melts record strong increases in Fe3+/∑Fe with increasing H2O concentration as a result of changes in water activity. This is relevant for the passage of H2O-undersaturated melts from the deep crust towards shallow crustal storage regions, and raises the possibility that vertical variations in fO2 might develop within arc crust. Conversely, degassing experiments produce an increase in Fe3+/∑Fe with decreasing H2O concentration. In this case the oxidation is explained by loss of H2 as well as H2O into bubbles during decompression, consistent with thermodynamic modelling, and is relevant for magmas undergoing shallow degassing en route to the surface. We discuss these results in the context of the possible controls on fO2 during the generation, storage and ascent of magmas in arc settings, in particular considering the timescales of equilibration relative to observation as this affects the quality of the petrological record of magmatic fO2.

  19. Investigating redox processes under diffusive and advective flow conditions using a coupled omics and synchrotron approach

    NASA Astrophysics Data System (ADS)

    Kemner, K. M.; Boyanov, M.; Flynn, T. M.; O'Loughlin, E. J.; Antonopoulos, D. A.; Kelly, S.; Skinner, K.; Mishra, B.; Brooks, S. C.; Watson, D. B.; Wu, W. M.

    2015-12-01

    FeIII- and SO42--reducing microorganisms and the mineral phases they produce have profound implications for many processes in aquatic and terrestrial systems. In addition, many of these microbially-catalysed geochemical transformations are highly dependent upon introduction of reactants via advective and diffusive hydrological transport. We have characterized microbial communities from a set of static microcosms to test the effect of ethanol diffusion and sulfate concentration on UVI-contaminated sediment. The spatial distribution, valence states, and speciation of both U and Fe were monitored in situ throughout the experiment by synchrotron x-ray absorption spectroscopy, in parallel with solution measurements of pH and the concentrations of sulfate, ethanol, and organic acids. After reaction initiation, a ~1-cm thick layer of sediment near the sediment-water (S-W) interface became visibly dark. Fe XANES spectra of the layer were consistent with the formation of FeS. Over the 4 year duration of the experiment, U LIII-edge XANES indicated reduction of U, first in the dark layer and then throughout the sediment. Next, the microcosms were disassembled and samples were taken from the overlying water and different sediment regions. We extracted DNA and characterized the microbial community by sequencing 16S rRNA gene amplicons with the Illumina MiSeq platform and found that the community evolved from its originally homogeneous composition, becoming significantly spatially heterogeneous. We have also developed an x-ray accessible column to probe elemental transformations as they occur along the flow path in a porous medium with the purpose of refining reactive transport models (RTMs) that describe coupled physical and biogeochemical processes in environmental systems. The elemental distribution dynamics and the RTMs of the redox driven processes within them will be presented.

  20. Coupled hydrological and geochemical process evolution at the Landscape Evolution Observatory

    NASA Astrophysics Data System (ADS)

    Troch, P. A. A.

    2015-12-01

    Predictions of hydrologic and biogeochemical responses to natural and anthropogenic forcing at the landscape scale are highly uncertain due to the effects of heterogeneity on the scaling of reaction, flow and transport phenomena. The physical, chemical and biological structures and processes controlling reaction, flow and transport in natural landscapes interact at multiple space and time scales and are difficult to quantify. The current paradigm of hydrological and geochemical theory is that process descriptions derived from observations at small scales in controlled systems can be applied to predict system response at much larger scales, as long as some 'equivalent' or 'effective' values of the scale-dependent parameters can be identified. Furthermore, natural systems evolve in time in a way that is hard to observe in short-run laboratory experiments or in natural landscapes with unknown initial conditions and time-variant forcing. The spatial structure of flow pathways along hillslopes determines the rate, extent and distribution of geochemical reactions (and biological colonization) that drive weathering, the transport and precipitation of solutes and sediments, and the further evolution of soil structure. The resulting evolution of structures and processes, in turn, produces spatiotemporal variability of hydrological states and flow pathways. There is thus a need for experimental research to improve our understanding of hydrology-biogeochemistry interactions and feedbacks at appropriate spatial scales larger than laboratory soil column experiments. Such research is complicated in real-world settings because of poorly constrained impacts of initial conditions, climate variability, ecosystems dynamics, and geomorphic evolution. The Landscape Evolution Observatory (LEO) at Biosphere 2 offers a unique research facility that allows real-time observations of incipient hydrologic and biogeochemical response under well-constrained initial conditions and climate

  1. A fast readout and processing electronics for photon counting intensified charge-coupled device

    NASA Astrophysics Data System (ADS)

    Bergamini, P.; Bonelli, G.; Tanzi, E. G.; Uslenghi, M.; Poletto, L.; Tondello, G.

    2000-04-01

    The design features and the performances of a prototype photon counting imaging detector, being developed for the international ultraviolet (UV) space mission Spectrum UV, are presented. The photon counter is an intensified charge coupled device (ICCD) in which photon events, generating an electron cascade through a high gain microchannel plate (MCP) stack, are transduced, via a phosphor screen and a fiber optics reducer, into a 3×3 pixel2, quasi-Gaussian charge distributions on a 15×15 μm2,512×512 pixel2 format CCD matrix. The CCD is read out in the frame-transfer mode at a pixel rate of 19.75 MHz, and its output data flow is acquired serially as to generate a 3×3 pixel2 event sash that sweeps dynamically the CCD matrix at the 50.6 ns rate of the readout clock. Each and every event sash is searched for the presence of events whose charge content lie within proper limits and satisfy a given set of morphological rules, i.e., a single peak charge profile. The centroid coordinates of identified events are determined with subpixel accuracy (up to a 210 bin/pixel) and subsequently stored as photon list coordinate pairs. The data acquisition and processing system is based on field programmable gate array technology and is capable of satisfying the requirements of real-time operation. The modular construction of the data acquisition and processing electronics provides a great deal of flexibility for supporting advancements in CCD readout techniques (multiple output and higher clocking speed) and of MCPs (larger formats, smaller pore, and higher dynamic range). The results of the performance verification of the data acquisition and processing system integrated with a laboratory ICCD prototype are presented and discussed.

  2. Process Coupling Between Mineral Transformation and U Speciation in Acid Waste Weathered Sediments

    NASA Astrophysics Data System (ADS)

    Perdrial, N.; Kanematsu, M.; Wang, G.; Um, W.; O'Day, P. A.; Chorover, J.

    2013-12-01

    The need for better prediction of contaminant transport motivates multi-faceted lines of inquiry to build a strong bridge between molecular- and field-scale information. At Hanford (WA), millions of liters of U-containing acidic wastes have been discharged to the soil. In order to predict reactive contaminant migration in the soil, it is necessary to determine the process coupling that occurs between mineral transformation and uranium speciation in these acid-uranium waste weathered sediments. Furthermore, we seek to establish linkages between molecular-scale contaminant speciation and meso-scale contaminant lability, release and reactive transport. Unweathered Hanford sediments were reacted for 365 days with acidic (pH 3), uranium bearing waste solutions in batch experiments. The presence and absence of phosphate in the waste as a control on uranium speciation was also investigated. At dedicated reaction times (7, 14, 30, 90, 180 and 365 days) solid and solution chemistry were analyzed to determine weathering trajectories and contaminant speciation. As observed by XRD and U-EXAFS, when present, PO4 exerted a strong controls over uranium speciation at all pH with the rapid precipitation of meta-ankoleite [K(UO2PO4).3H2O] and near complete immobilization of U. Over prolonged reaction time, however, small fractions of boltwoodite [K(UO2)(HSiO4).3H2O] increased in PO4-high U systems. When PO4 was excluded from the reaction systems, U speciation was indirectly controlled by the pH of the reactant solution and its effect on primary mineral weathering. In this case, U immobilization remained limited with 25 to 50% of the uranium precipitated as becquerelite ([Ca(UO2)6O4(OH)6.3H2O] or the K equivalent - compreignacite) and suspected boltwoodite. Differences between the systems are attributed to process coupling between acid chemistry and U geochemistry. Carbonate weathering contributed to rapidly buffer the pH to pH 7-8 in the absence of PO4 and to 6-7 in its presence

  3. Theory of proton-coupled electron transfer in energy conversion processes.

    PubMed

    Hammes-Schiffer, Sharon

    2009-12-21

    Proton-coupled electron transfer (PCET) reactions play an essential role in a broad range of energy conversion processes, including photosynthesis and respiration. These reactions also form the basis of many types of solar fuel cells and electrochemical devices. Recent advances in the theory of PCET enable the prediction of the impact of system properties on the reaction rates. These predictions may guide the design of more efficient catalysts for energy production, including those based on artificial photosynthesis and solar energy conversion. This Account summarizes the theoretically predicted dependence of PCET rates on system properties and illustrates potential approaches for tuning the reaction rates in chemical systems. A general theoretical formulation for PCET reactions has been developed over the past decade. In this theory, PCET reactions are described in terms of nonadiabatic transitions between the reactant and product electron-proton vibronic states. A series of nonadiabatic rate constant expressions for both homogeneous and electrochemical PCET reactions have been derived in various well-defined limits. Recently this theory has been extended to include the effects of solvent dynamics and to describe ultrafast interfacial PCET. Analysis of the rate constant expressions provides insight into the underlying physical principles of PCET and enables the prediction of the dependence of the rates on the physical properties of the system. Moreover, the kinetic isotope effect, which is the ratio of the rates for hydrogen and deuterium, provides a useful mechanistic probe. Typically the PCET rate will increase as the electronic coupling and temperature increase and as the total reorganization energy and equilibrium proton donor-acceptor distance decrease. The rate constant is predicted to increase as the driving force becomes more negative, rather than exhibit turnover behavior in the inverted region, because excited vibronic product states associated with low

  4. Coupled numerical approach combining finite volume and lattice Boltzmann methods for multi-scale multi-physicochemical processes

    SciTech Connect

    Chen, Li; He, Ya-Ling; Kang, Qinjun; Tao, Wen-Quan

    2013-12-15

    A coupled (hybrid) simulation strategy spatially combining the finite volume method (FVM) and the lattice Boltzmann method (LBM), called CFVLBM, is developed to simulate coupled multi-scale multi-physicochemical processes. In the CFVLBM, computational domain of multi-scale problems is divided into two sub-domains, i.e., an open, free fluid region and a region filled with porous materials. The FVM and LBM are used for these two regions, respectively, with information exchanged at the interface between the two sub-domains. A general reconstruction operator (RO) is proposed to derive the distribution functions in the LBM from the corresponding macro scalar, the governing equation of which obeys the convection–diffusion equation. The CFVLBM and the RO are validated in several typical physicochemical problems and then are applied to simulate complex multi-scale coupled fluid flow, heat transfer, mass transport, and chemical reaction in a wall-coated micro reactor. The maximum ratio of the grid size between the FVM and LBM regions is explored and discussed. -- Highlights: •A coupled simulation strategy for simulating multi-scale phenomena is developed. •Finite volume method and lattice Boltzmann method are coupled. •A reconstruction operator is derived to transfer information at the sub-domains interface. •Coupled multi-scale multiple physicochemical processes in micro reactor are simulated. •Techniques to save computational resources and improve the efficiency are discussed.

  5. On-line elemental analysis of fossil fuel process streams by inductively coupled plasma spectrometry

    SciTech Connect

    Chisholm, W.P.

    1995-06-01

    METC is continuing development of a real-time, multi-element plasma based spectrometer system for application to high temperature and high pressure fossil fuel process streams. Two versions are under consideration for development. One is an Inductively Coupled Plasma system that has been described previously, and the other is a high power microwave system. The ICP torch operates on a mixture of argon and helium with a conventional annular swirl flow plasma gas, no auxiliary gas, and a conventional sample stream injection through the base of the plasma plume. A new, demountable torch design comprising three ceramic sections allows bolts passing the length of the torch to compress a double O-ring seal. This improves the reliability of the torch. The microwave system will use the same data acquisition and reduction components as the ICP system; only the plasma source itself is different. It will operate with a 750-Watt, 2.45 gigahertz microwave generator. The plasma discharge will be contained within a narrow quartz tube one quarter wavelength from a shorted waveguide termination. The plasma source will be observed via fiber optics and a battery of computer controlled monochromators. To extract more information from the raw spectral data, a neural net computer program is being developed. This program will calculate analyte concentrations from data that includes analyte and interferant spectral emission intensity. Matrix effects and spectral overlaps can be treated more effectively by this method than by conventional spectral analysis.

  6. Numerical study on coupled fluid flow and heat transfer process in parabolic trough solar collector tube

    SciTech Connect

    Tao, Y.B.; He, Y.L.

    2010-10-15

    A unified two-dimensional numerical model was developed for the coupled heat transfer process in parabolic solar collector tube, which includes nature convection, forced convection, heat conduction and fluid-solid conjugate problem. The effects of Rayleigh number (Ra), tube diameter ratio and thermal conductivity of the tube wall on the heat transfer and fluid flow performance were numerically analyzed. The distributions of flow field, temperature field, local Nu and local temperature gradient were examined. The results show that when Ra is larger than 10{sup 5}, the effects of nature convection must be taken into account. With the increase of tube diameter ratio, the Nusselt number in inner tube (Nu{sub 1}) increases and the Nusselt number in annuli space (Nu{sub 2}) decreases. With the increase of tube wall thermal conductivity, Nu{sub 1} decreases and Nu{sub 2} increases. When thermal conductivity is larger than 200 W/(m K), it would have little effects on Nu and average temperatures. Due to the effect of the nature convection, along the circumferential direction (from top to down), the temperature in the cross-section decreases and the temperature gradient on inner tube surface increases at first. Then, the temperature and temperature gradients would present a converse variation at {theta} near {pi}. The local Nu on inner tube outer surface increases along circumferential direction until it reaches a maximum value then it decreases again. (author)

  7. Density-fitted singles and doubles coupled cluster on graphics processing units

    SciTech Connect

    Sherrill, David; Sumpter, Bobby G; DePrince, III, A. Eugene

    2014-01-01

    We adapt an algorithm for singles and doubles coupled cluster (CCSD) that uses density fitting (DF) or Cholesky decomposition (CD) in the construction and contraction of all electron repulsion integrals (ERI s) for use on heterogeneous compute nodes consisting of a multicore CPU and at least one graphics processing unit (GPU). The use of approximate 3-index ERI s ameliorates two of the major difficulties in designing scientific algorithms for GPU s: (i) the extremely limited global memory on the devices and (ii) the overhead associated with data motion across the PCI bus. For the benzene trimer described by an aug-cc-pVDZ basis set, the use of a single NVIDIA Tesla C2070 (Fermi) GPU accelerates a CD-CCSD computation by a factor of 2.1, relative to the multicore CPU-only algorithm that uses 6 highly efficient Intel core i7-3930K CPU cores. The use of two Fermis provides an acceleration of 2.89, which is comparable to that observed when using a single NVIDIA Kepler K20c GPU (2.73).

  8. Coupled-channels quantum theory of electronic flux density in electronically adiabatic processes: fundamentals.

    PubMed

    Diestler, D J

    2012-03-22

    The Born-Oppenheimer (BO) description of electronically adiabatic molecular processes predicts a vanishing electronic flux density (j(e)), =1/2∫dR[Δ(b) (x;R) - Δ(a) (x;R)] even though the electrons certainly move in response to the movement of the nuclei. This article, the first of a pair, proposes a quantum-mechanical "coupled-channels" (CC) theory that allows the approximate extraction of j(e) from the electronically adiabatic BO wave function . The CC theory is detailed for H(2)(+), in which case j(e) can be resolved into components associated with two channels α (=a,b), each of which corresponds to the "collision" of an "internal" atom α (proton a or b plus electron) with the other nucleus β (proton b or a). The dynamical role of the electron, which accommodates itself instantaneously to the motion of the nuclei, is submerged in effective electronic probability (population) densities, Δ(α), associated with each channel (α). The Δ(α) densities are determined by the (time-independent) BO electronic energy eigenfunction, which depends parametrically on the configuration of the nuclei, the motion of which is governed by the usual BO nuclear Schrödinger equation. Intuitively appealing formal expressions for the electronic flux density are derived for H(2)(+).

  9. Modeling permeability enhancement due to coupled Thermal-Hydrological-Mechanical processes in Geothermal Reservoirs

    NASA Astrophysics Data System (ADS)

    Rapaka, S.; Kelkar, S.; Zyvoloski, G.; Pawar, R. J.

    2010-12-01

    The connectivity and accessible surface area of flowing fractures, whether natural or man-made, is possibly the single most important factor, after temperature, which determines the feasibility of a geothermal reservoir. Rock deformation and in-situ stress changes induced by injected fluids can enhance the permeability and accessible surface area of the geothermal formation, while simultaneously increasing the likelihood of premature thermal breakthrough. Hence, the ability to accurately model the fracture-stress interaction in the presence of variations in temperature and fluid pressure is critical in effective reservoir development and management strategies. We will describe a general purpose computational code, FEHM, developed for this purpose, that models coupled thermal-hydrological-mechanical processes during multi-phase fluid flow and transport in fractured porous media. The code incorporates several models of fracture aperture and stress behavior combined with permeability relationships. We provide field scale examples of applications to geothermal systems to demonstrate the utility of the method. The first example studies the role played by thermal and pore-pressure effects in enhancing the permeability in the near-wellbore region. In the second example, we will study permeability enhancement due to shear stresses farther away from the wellbore.

  10. An approach to modeling coupled thermal-hydraulic-chemical processes in geothermal systems

    USGS Publications Warehouse

    Palguta, Jennifer; Williams, Colin F.; Ingebritsen, Steven E.; Hickman, Stephen H.; Sonnenthal, Eric

    2011-01-01

    Interactions between hydrothermal fluids and rock alter mineralogy, leading to the formation of secondary minerals and potentially significant physical and chemical property changes. Reactive transport simulations are essential for evaluating the coupled processes controlling the geochemical, thermal and hydrological evolution of geothermal systems. The objective of this preliminary investigation is to successfully replicate observations from a series of hydrothermal laboratory experiments [Morrow et al., 2001] using the code TOUGHREACT. The laboratory experiments carried out by Morrow et al. [2001] measure permeability reduction in fractured and intact Westerly granite due to high-temperature fluid flow through core samples. Initial permeability and temperature values used in our simulations reflect these experimental conditions and range from 6.13 × 10−20 to 1.5 × 10−17 m2 and 150 to 300 °C, respectively. The primary mineralogy of the model rock is plagioclase (40 vol.%), K-feldspar (20 vol.%), quartz (30 vol.%), and biotite (10 vol.%). The simulations are constrained by the requirement that permeability, relative mineral abundances, and fluid chemistry agree with experimental observations. In the models, the granite core samples are represented as one-dimensional reaction domains. We find that the mineral abundances, solute concentrations, and permeability evolutions predicted by the models are consistent with those observed in the experiments carried out by Morrow et al. [2001] only if the mineral reactive surface areas decrease with increasing clay mineral abundance. This modeling approach suggests the importance of explicitly incorporating changing mineral surface areas into reactive transport models.

  11. Laser Ablation Solid Sampling processes investigated usinginductively coupled plasma - atomic emission spectroscopy (ICP-AES)

    SciTech Connect

    Mao, X.L.; Ciocan, A.C.; Borisov, O.V.; Russo, R.E.

    1997-07-01

    The symbiotic relationship between laser ablation mechanismsand analytical performance using inductively coupled plasma-atomicemission spectroscopy are addressed in this work. For both cases, it isimportant to ensure that the ICP conditions (temperature and electronnumber density) are not effected by the ablated mass. By ensuring thatthe ICP conditions are constant, changes in spectral emission intensitywill be directly related to changes in laser ablation behavior. Mg ionicline to atomic line ratios and excitation temperature were measured tomonitor the ICP conditions during laser-ablation sample introduction. Thequantity of ablated mass depends on the laser pulse duration andwavelength. The quantity of mass removed per unit energy is larger whenablating with shorter laser wavelengths and pulses. Preferential ablationof constituents from a multicomponent sample was found to depend on thelaser beam properties (wavelength and pulse duration). Fornanosecond-pulsed lasers, thermal vaporization dominates the ablationprocess. For picosecond-pulsed lasers, a non-thermal mechanism appears todominate the ablation process. This work will describe the mass ablationbehavior during nanosecond and picosecond laser sampling into the ICP.The behavior of the ICP under mass loading conditions is firstestablished, followed by studies of the ablation behavior at variouspower densities. A thermal vaporization model is used to explainnanosecond ablation, and a possible non-thermal mechanism is proposed toexplain preferential ablation of Zn and Cu from brass samples duringpicosecond ablation.

  12. Scaling of coupled dilatancy-diffusion processes in space and time

    NASA Astrophysics Data System (ADS)

    Main, I. G.; Bell, A. F.; Meredith, P. G.; Brantut, N.; Heap, M.

    2012-04-01

    Coupled dilatancy-diffusion processes resulting from microscopically brittle damage due to precursory cracking have been observed in the laboratory and suggested as a mechanism for earthquake precursors. One reason precursors have proven elusive may be the scaling in space: recent geodetic and seismic data placing strong limits on the spatial extent of the nucleation zone for recent earthquakes. Another may be the scaling in time: recent laboratory results on axi-symmetric samples show both a systematic decrease in circumferential extensional strain at failure and a delayed and a sharper acceleration of acoustic emission event rate as strain rate is decreased. Here we examine the scaling of such processes in time from laboratory to field conditions using brittle creep (constant stress loading) to failure tests, in an attempt to bridge part of the strain rate gap to natural conditions, and discuss the implications for forecasting the failure time. Dilatancy rate is strongly correlated to strain rate, and decreases to zero in the steady-rate creep phase at strain rates around 10-9 s-1 for a basalt from Mount Etna. The data are well described by a creep model based on the linear superposition of transient (decelerating) and accelerating micro-crack growth due to stress corrosion. The model produces good fits to the failure time in retrospect using the accelerating acoustic emission event rate, but in prospective tests on synthetic data with the same properties we find failure-time forecasting is subject to systematic epistemic and aleatory uncertainties that degrade predictability. The next stage is to use the technology developed to attempt failure forecasting in real time, using live streamed data and a public web-based portal to quantify the prospective forecast quality under such controlled laboratory conditions.

  13. Spatial modeling of coupled hydrologic-biogeochemical processes for the Southern Sierra Critical Zone Observatory

    NASA Astrophysics Data System (ADS)

    Tague, C.

    2007-12-01

    One of the primary roles of modeling in critical zone research studies is to provide a framework for integrating field measurements and theory and for generalizing results across space and time. In the Southern Sierra Critical Zone Observatory (SCZO), significant spatial heterogeneity associated with mountainous terrain combined with high inter-annual and seasonal variation in climate, necessitates the use of spatial-temporal models for generating landscape scale understanding and predictions. Science questions related to coupled hydrologic and biogeochemical fluxes within the critical zone require a framework that can account for multiple and interacting processes. One of the core tools for the SCZO will be RHESSYs (Regional hydro-ecologic simulation system). RHESSys is an existing GIS-based model of hydrology and biogeochemical cycling. For the SCZO, we use RHESSys as an open-source, objected oriented model that can be extended to incorporate findings from field-based monitoring and analysis. We use the model as a framework for data assimilation, spatial-temporal interpolation, prediction, and scenario and hypothesis generation. Here we demonstrate the use of RHESSys as a hypothesis generation tool. We show how initial RHESSys predictions can be used to estimate when and where connectivity within the critical zone will lead to significant spatial or temporal gradients in vegetation carbon and moisture fluxes. We use the model to explore the potential implications of heterogeneity in critical zone controls on hydrologic processes at two scales: micro and macro. At the micro scale, we examine the role of preferential flowpaths. At the macro scale we consider the importance of upland-riparian zone connectivity. We show how the model can be used to design efficient field experiments by, a-priori providing quantitative estimate of uncertainty and highlighting when and where measurements might most effectively reduce that uncertainty.

  14. Magnetosphere-Ionosphere Coupling Processes in the Ionospheric Trough Region During Substorms

    NASA Astrophysics Data System (ADS)

    Zou, S.; Moldwin, M.; Nicolls, M. J.; Ridley, A. J.; Coster, A. J.; Yizengaw, E.; Lyons, L. R.; Donovan, E.

    2013-12-01

    The ionospheric troughs are regions of remarkable electron density depression at the subauroral and auroral latitudes, and are categorized into the mid-latitude trough or high-latitude trough, depending on their relative location to the auroral oval. Substorms are one fundamental element of geomagnetic activity, during which structured field-aligned currents (FACs) and convection flows develop in the subauroral and auroral ionosphere. The auroral/trough region is expected to experience severe electron density variations during substorms. Accurate specification of the trough dynamics during substorms and understanding its relationship with the structured FACs and convection flows are of important practical purpose, including providing observational foundations for assessing the attendant impact on navigation and communication. In addition, troughs are important since they map to magnetospheric boundaries allowing the remote sensing of magnetosphere-ionosphere coupling processes. In this talk, we discuss the dynamics of the mid-latitude and high-latitude troughs during substorms based on multi-instrument observations. Using GPS total electron content (TEC) data, we characterize the location and width of the mid-latitude trough through the substorm lifecycle and compare them with existing trough empirical models. Using a combination of incoherent scattering radar (ISR), GPS TEC, auroral imager and a data assimilative model, we investigate the relationship between the high-latitude trough and FACs as well as convection flows. The high-latitude trough is found to be collocated with a counter-clockwise convection flow vortex east of the Harang reversal region, and downward FACs as part of the substorm current system are suggested to be responsible for the high-latitude trough formation. In addition, complex ionospheric electron temperature within the high-latitude trough is found, i.e., increase in the E region while decrease in the F region. We discuss possible

  15. Technical Note: Coupling of chemical processes with the Modular Earth Submodel System (MESSy) submodel TRACER

    NASA Astrophysics Data System (ADS)

    Jöckel, P.; Kerkweg, A.; Buchholz-Dietsch, J.; Tost, H.; Sander, R.; Pozzer, A.

    2008-03-01

    The implementation of processes related to chemistry into Earth System Models and their coupling within such systems requires the consistent description of the chemical species involved. We provide a tool (written in Fortran95) to structure and manage information about constituents, hereinafter referred to as tracers, namely the Modular Earth Submodel System (MESSy) generic (i.e., infrastructure) submodel TRACER. With TRACER it is possible to define a multitude of tracer sets, depending on the spatio-temporal representation (i.e., the grid structure) of the model. The required information about a specific chemical species is split into the static meta-information about the characteristics of the species, and its (generally in time and space variable) abundance in the corresponding representation. TRACER moreover includes two submodels. One is TRACER_FAMILY, an implementation of the tracer family concept. It distinguishes between two types: type-1 families are usually applied to handle strongly related tracers (e.g., fast equilibrating species) for a specific process (e.g., advection). In contrast to this, type-2 families are applied for tagging techniques. Tagging means the artificial decomposition of one or more species into parts, which are additionally labelled (e.g., by the region of their primary emission) and then processed as the species itself. The type-2 family concept is designed to conserve the linear relationship between the family and its members. The second submodel is TRACER_PDEF, which corrects and budgets numerical negative overshoots that arise in many process implementations due to the numerical limitations (e.g., rounding errors). The submodel therefore guarantees the positive definiteness of the tracers and stabilises the integration scheme. As a by-product, it further provides a global tracer mass diagnostic. Last but not least, we present the submodel PTRAC, which allows the definition of tracers via a Fortran95 namelist, as a complement to

  16. Coupling between pressure solution and fracturing processes discussed from indenter experiments

    NASA Astrophysics Data System (ADS)

    Gratier, J.; Renard, F.; Bernard, D.

    2007-12-01

    Pressure solution is a mechanism competing with cataclasis during sediment deformation. For example, both mechanisms are well documented in fault zones where they interact to make sedimentary rocks behave in both brittle and viscous manners. Cataclasis is associated with earthquake rupture whereas pressure solution accommodates post-seismic creep and sealing processes. In basins, sedimentary grains deform both by pressure solution and cataclastic deformation and are responsible for sediment compaction and porosity loss. As a consequence, the coupling between pressure solution and fracturing processes is a major issue, which we have studied experimentally. Indenter technique is a good technique for pressure solution studies since it allows controlling the distance of mass transfer, a crucial parameter in pressure solution constitutive laws. We have performed pressure solution indenter experiments on various kinds of single crystals leading to contrasting effects of the fracturing process on the kinetics of pressure solution creep. Indenting of quartz crystals leads to various hole shapes under the indenter. Cylindrical holes with a diameter equal to the indenter diameter are obtained at low stress (25-50 MPa), whereas hole larger than the indenter diameter are obtained at higher stresses (100-300 MPa). Reverse crown-shaped fractures below the indenter are associated with such a hole enlarging process. Successive fracture sets are created, then partially healed during the progressive indenting. However, displacement rates showed an exponential dependence on the stress values, as predicted theoretically. So the development of such fractures does not seem to significantly increase the kinetics of pressure solution. Conversely, indenting halite crystal in presence of brine solution led to different fracturing effects. At low stress no fracturing could be observed and the diameter of the hole was equal to the diameter of the indenter. However, near halite yield stress

  17. Higher-Order Equation-of-Motion Coupled-Cluster Methods for Ionization Processes

    SciTech Connect

    Kamiya, Muneaki; Hirata, So

    2006-08-21

    Compact algebraic equations defining the equation-of-motion coupled-cluster (EOM-CC) methods for ionization potentials (IP-EOM-CC) have been derived and computer implemented by virtue of a symbolic algebra system largely automating these processes. Models with connected cluster excitation operators truncated after double, triple, or quadruple level and with linear ionization operators truncated after two-hole-one-particle (2h1p), three-hole-two-particle (3h2p), or four-hole-three-particle (4h3p) level (abbreviated as IP-EOM-CCSD, CCSDT, and CCSDTQ, respectively) have been realized into parallel algorithms taking advantage of spin, spatial, and permutation symmetries with optimal size dependence of the computational costs. They are based on spin-orbital formalisms and can describe both {alpha} and {beta} and ionizations from open-shell (doublet, triplet, etc.) reference states into ionized states with various spin magnetic quantum numbers. The application of these methods to Koopmans and satellite ionizations of N{sub 2} and CO (with the ambiguity due to finite basis sets eliminated by extrapolation) has shown that IP-EOM-CCSD frequently accounts for orbital relaxation inadequately and displays errors exceeding a couple of eV. However, these errors can be systematically reduced to tenths or even hundredths of an eV by IP-EOM-CCSDT or CCSDTQ. Comparison of spectroscopic parameters of the FH{sup +} and NH{sup +} radicals between IP-EOM-CC and experiments has also underscored the importance of higher-order IP-EOM-CC treatments. For instance, the harmonic frequencies of the {tilde A} {sup 2}{Sigma}{sup -} state of NH{sup +}+ are predicted to be 1285, 1723, and 1705 cm{sup -1} by IP-EOM-CCSD, CCSDT, and CCSDTQ, respectively, as compared to the observed value of 1707 cm{sup -1}. The small adiabatic energy separation (observed 0.04 eV) between the {tilde X} {sup 2}II and {tilde a} {sup 4}{sigma}{sup -} states of NH{sup +} also requires IP-EOM-CCSDTQ for a quantitative

  18. Efficient production of acetone-butanol-ethanol (ABE) from cassava by a fermentation-pervaporation coupled process.

    PubMed

    Li, Jing; Chen, Xiangrong; Qi, Benkun; Luo, Jianquan; Zhang, Yuming; Su, Yi; Wan, Yinhua

    2014-10-01

    Production of acetone-butanol-ethanol (ABE) from cassava was investigated with a fermentation-pervaporation (PV) coupled process. ABE products were in situ removed from fermentation broth to alleviate the toxicity of solvent to the Clostridium acetobutylicum DP217. Compared to the batch fermentation without PV, glucose consumption rate and solvent productivity increased by 15% and 21%, respectively, in batch fermentation-PV coupled process, while in continuous fermentation-PV coupled process running for 304 h, the substrate consumption rate, solvent productivity and yield increased by 58%, 81% and 15%, reaching 2.02 g/Lh, 0.76 g/Lh and 0.38 g/g, respectively. Silicalite-1 filled polydimethylsiloxane (PDMS)/polyacrylonitrile (PAN) membrane modules ensured media recycle without significant fouling, steadily generating a highly concentrated ABE solution containing 201.8 g/L ABE with 122.4 g/L butanol. After phase separation, a final product containing 574.3g/L ABE with 501.1g/L butanol was obtained. Therefore, the fermentation-PV coupled process has the potential to decrease the cost in ABE production.

  19. Life cycle assessment of a coupled solar photocatalytic-biological process for wastewater treatment.

    PubMed

    Muñoz, Ivan; Peral, José; Ayllón, José Antonio; Malato, Sixto; Passarinho, Paula; Domènech, Xavier

    2006-11-01

    A comparative life cycle assessment (LCA) of two solar-driven advanced oxidation processes, namely heterogeneous semiconductor photocatalysis and homogeneous photo-Fenton, both coupled to biological treatment, is carried out in order to identify the environmentally preferable alternative to treat industrial wastewaters containing non-biodegradable priority hazardous substances. The study is based on solar pilot plant tests using alpha-methyl-phenylglycine as a target substance. The LCA study is based on the experimental results obtained, along with data from an industrial-scale plant. The system under study includes production of the plant infrastructure, chemicals, electricity, transport of all these materials to the plant site, management of the spent catalyst by transport and landfilling, as well as treatment of the biodegradable effluent obtained in a conventional municipal wastewater treatment plant, and excess sludge treatment by incineration. Nine environmental impact categories are included in the LCA: global warming, ozone depletion, human toxicity, freshwater aquatic toxicity, photochemical ozone formation, acidification, eutrophication, energy consumption, and land use. The experimental results obtained in the pilot plant show that solar photo-Fenton is able to obtain a biodegradable effluent much faster than solar heterogeneous photocatalysis, implying that the latter would require a much larger solar collector area in an industrial application. The results of the LCA show that, an industrial wastewater treatment plant based on heterogeneous photocatalysis involves a higher environmental impact than the photo-Fenton alternative, which displays impact scores 80-90% lower in most impact categories assessed. These results are mainly due to the larger size of the solar collector field needed by the plant.

  20. Mechanism of the cathodic process coupled to the oxidation of iron monosulfide by dissolved oxygen.

    PubMed

    Duinea, Mădălina I; Costas, Andreea; Baibarac, Mihaela; Chiriță, Paul

    2016-04-01

    This study investigated the mechanism of iron monosulfide (FeS) oxidation by dissolved oxygen (O2(aq)). Synthetic FeS was reacted with O2(aq) for 6days and at 25°C. We have characterized the initial and reacted FeS surface using Scanning Electron Microscopy coupled with Energy Dispersive X-ray (SEM/EDX) analysis, Raman spectroscopy and Fourier transform infrared spectroscopy (FTIR). It was found that during the aqueous oxidation of FeS new solid phases (disulfide, polysulfide, elemental sulfur, ferric oxyhydroxides and Fe3O4) develop on the mineral surface. The results of potentiodynamic polarization experiments show that after 2days of FeS electrode immersion in oxygen bearing solution (OBS) at initial pH 5.1 and 25°C the modulus of cathodic Tafel slopes dramatically decreases, from 393mV/dec to 86mV/dec. This decrease is ascribed to the change of the mechanism of electron transfer from cathodic sites to O2 (mechanism of cathodic process). The oxidation current densities (jox) indicate that mineral oxidative dissolution is not inhibited by pH increase up to 6.7. Another conclusion, which emerges from the analysis of jox, is that the dissolved Fe(3+) does not intermediate the aqueous oxidation of FeS. The results of electrochemical impedance spectroscopy (EIS) show that after 2days of contact between electrode and OBS the properties of FeS/water interface change. From the analysis of the EIS, FTIR spectroscopy, Raman spectroscopy and SEM/EDX data we can conclude that the change of FeS/water interface properties accompanies the formation of new solid phases on the mineral surface. The new characteristics of the surface layer and FeS/water interface do not cause the inhibition of mineral oxidation.

  1. Coupled Environmental Processes in the Mojave Desert and Implications for ET Covers as Stable Landforms

    SciTech Connect

    D. Shafer; M. Y oung; S. Zitzer; E. McDonald; T. Caldwell

    2006-01-18

    Monolayer evapotranspiration (ET) covers are the baseline method for closure of disposal sites for low-level radioactive waste (LLW), mixed LLW, and transuranic (TRU) waste at the Nevada Test Site (NTS). The regulatory timeline is typically 1,000 years for LLW and 10,000 years for TRU waste. Covers for such waste have different technical considerations than those with shorter timelines because they are subject to environmental change for longer periods of time, and because the environmental processes are often coupled. To evaluate these changes, four analog sites (approximately 30, 1,000 to 2,000, 7,000 to 12,500, and 125,000 years in age) on the NTS were analyzed to address the early post-institutional control period (the youngest site), the 1,000-year compliance period for disposal of LLW, and the 10,000-year period for TRU waste. Tests included soil texture, structure, and morphology; surface soil infiltration and hydraulic conductivity; vegetation and faunal surveys; and literature reviews. Separate measurements were made in plant undercanopy and intercanopy areas. The results showed a progressive increase in silt and clay content of surface soils with age. Changes in soil texture and structure led to a fivefold decline in saturated hydraulic conductivity in intercanopy areas, but no change in undercanopies, which were subject to bioturbation. These changes may have been responsible for the reduction in total plant cover, most dramatically in intercanopy areas, primarily because more precipitation either runs off the site or is held nearer to the surface where plant roots are less common. The results suggest that covers may evolve over longer timeframes to stable landforms that minimize the need for active maintenance.

  2. Studying coupled hydrological and micro-biological processes by means of tracer injections and mathematical models

    NASA Astrophysics Data System (ADS)

    Worman, A.; Kjellin, J. P.; Lindahl, A.; Johansson, H.

    2005-05-01

    To throw light on coupled hydrological, chemical and microbiological processes in treatment wetlands, this study uses both radioactive water and reactive tracers. A tracer mixture consisting of tritiated water, P-32 in the form of PO4- and N-15 in the form of N2O was injected to the 2.6 hectare large Ekeby wetland, Sweden. From the breakthrough curves of tritium, the mean residence time of water in pond 1 can be estimated to be about 3 to 3.5 days. The total injected activity of phosphorus was 17.98 GBq and about 13.73 GBq was recovered at the outlet during the investigation period ending 10 days and 16 hours after the start of the injection. This implies that 24% of the phosphate solution was removed in the November - December period in which the experiment was performed. The total injected amount of N-15 was 42.1 grams and 29.6 grams was retained at the effluent. This means that 30% of the nitrogen was either retained in the wetland or removed due to denitrification. An analysis of regular monitoring data shows that the annual removal rate in the entire wetland (each flow line passes two ponds in series) is about 50% for total phosphorus and 25% for total nitrogen. Probably, the most important mechanism for this removal is adsorption onto particulate matter and deposition. Analyses of vegetation material indicate that a certain (minor) fraction was adsorbed to submersed and emerging macrophytes, like Elodera Canadensis, Thypa sp. (Cattail) and Glyceria sp. (Manna grass). A 2D mathematical model for both water flow and solute transport could explain the N-transport through the wetland. The model accounts for the rate-limited exchange with bed sediments and denitrification in the water and bed sediment. Independent batch tests indicate a particularly high microbiological activity in the bed sediments. The rate-limited exchange with the bed limits also the denitrification capacity of the wetland.

  3. Microstructural Analysis of Coupled Mechanical and Chemical Diagenetic Processes in Deformation Bands in Sandstone

    NASA Astrophysics Data System (ADS)

    O'Brien, C. M.; Eichhubl, P.; Elliott, S. J.

    2015-12-01

    Deformation bands in sandstone and other porous rock have been shown to act as barriers or baffles to fluid flow. Changes in flow properties are related to microscale textural changes that occur within the deformation bands through coupled mechanical and chemical diagenetic processes. Microscale textures relating to flow properties, such as brittle grain deformation, preferred cementation, and the entrainment of fines within bands can be studied using scanning electron microscopy (SEM) imaging techniques. Conventional techniques for imaging deformation bands by SEM involve using mechanically polished thin sections. However, mechanical polishing can cause induced sample damage that limits microstructural observations. To mitigate sample damage, we use large-area and cross-sectional Ar ion beam milling to prepare deformation band samples for SEM imaging. These techniques preserve sample integrity allowing the imaging of cement and pore textures at submicron resolution. In an ion milled deformation band from the Entrada sandstone, we observe delicate euhedral quartz crystals that precipitated after band formation. In the same band, broken grain fragments that occupy space between larger framework grains are angular in shape, suggesting that they still bear freshly broken surfaces, not dulled and rounded by grain dissolution and cement overgrowth. The lack of widespread isopachous cement on grain fragments, and the observation, instead, of isolated slender quartz cement prisms indicates that cementation in these bands is highly localized. These localized cement growths increase roughness in the pore walls, increasing surface area and tortuosity in the flow pathway through the band. This may reduce permeability in the band without completely occluding flow pathways and pore connections within the bands.

  4. Evaluation of a coupled dispersion and aerosol process model against measurements near a major road

    NASA Astrophysics Data System (ADS)

    Pohjola, M. A.; Pirjola, L.; Karppinen, A.; Härkönen, J.; Ketzel, M.; Kukkonen, J.

    2007-02-01

    A field measurement campaign was conducted near a major road "Itäväylä" in an urban area in Helsinki in 17-20 February 2003. Aerosol measurements were conducted using a mobile laboratory "Sniffer" at various distances from the road, and at an urban background location. Measurements included particle size distribution in the size range of 7 nm-10 μm (aerodynamic diameter) by the Electrical Low Pressure Impactor (ELPI) and in the size range of 3-50 nm (mobility diameter) by Scanning Mobility Particle Sizer (SMPS), total number concentration of particles larger than 3 nm detected by an ultrafine condensation particle counter (UCPC), temperature, relative humidity, wind speed and direction, driving route of the mobile laboratory, and traffic density on the studied road. In this study, we have compared measured concentration data with the predictions of the road network dispersion model CAR-FMI used in combination with an aerosol process model MONO32. The vehicular exhaust emissions, and atmospheric dispersion and transformation of fine and ultrafine particles was evaluated within the distance scale of 200 m (corresponding to a time scale of a couple of minutes). We computed the temporal evolution of the number concentrations, size distributions and chemical compositions of various particle size classes. The atmospheric dilution rate of particles is obtained from the roadside dispersion model CAR-FMI. Considering the evolution of total number concentration, dilution was shown to be the most important process. The influence of coagulation and condensation on the number concentrations of particle size modes was found to be negligible at this distance scale. Condensation was found to affect the evolution of particle diameter in the two smallest particle modes. The assumed value of the concentration of condensable organic vapour of 1012 molecules cm-3 was shown to be in a disagreement with the measured particle size evolution, while the modelling runs with the

  5. Improved Hydrological Predictions by the Coupling of Land-Surface-Atmosphere Processes

    NASA Astrophysics Data System (ADS)

    Larsen, M. A.; Refsgaard, J.; Jensen, K. H.; Christensen, J. H.; Butts, M. B.; Drews, M.

    2012-12-01

    The study is a part of the Danish HYACINTS project (www.hyacints.dk). A part of the study involves the development of a fully dynamic coupling between the HIRHAM regional climate model (Danish Meteorological Institute) and the MIKE SHE hydrological model (DHI / Geological Survey of Denmark and Greenland). A main expectation of the coupled setup is improved hydrological predictions. As climate models generally include only a simplistic hydrological description, the improvements are expected as a result of higher detail and resolution in soil water and water table depths as generated in the hydrological model component. Equally, the hydrological model may benefit from the horizontal redistribution of sensible energy made possible through the climate model. In the preparation of the coupling, the optimal setup of the climate model component is assessed among eight simulations with varying domain sizes and resolutions. Similarly the hydrological model is parameterized by upscaling from autocalibration results performed against field measurements at distinct surfaces within the catchment. The coupled climate model domain is covering an area of 4000x2800 km in 11 km resolution over northern Europe forced by ERA-Interim reanalysis data at the boundaries. The coupled hydrological model catchment is located at the approximate climate model domain center in the Western part of Denmark covering an area of 2500 km2. The effect of the coupling is tested using a 1 year period by running the model in two versions; a fully coupled setup and a traditional passive one-way setup using HIRHAM output as MIKE SHE input. Validation variables include evapotranspiration, sensible heat flux and soil moisture.

  6. Silver-Catalyzed Cross-Coupling of Isocyanides and Active Methylene Compounds by a Radical Process.

    PubMed

    Liu, Jianquan; Liu, Zhenhua; Liao, Peiqiu; Zhang, Lin; Tu, Tao; Bi, Xihe

    2015-09-01

    Isocyanides are versatile building blocks, and have been extensively exploited in C-H functionalization reactions. However, transition-metal-catalyzed direct C-H functionalization reactions with isocyanides suffer from over-insertion of isocyanides. Reported herein is a radical coupling/isomerization strategy for the cross-coupling of isocyanides with active methylene compounds through silver-catalysis. The method solves the over-insertion issue and affords a variety of otherwise difficult to synthesize β-aminoenones and tricarbonylmethanes under base- and ligand-free conditions. This report presents a new fundamental C-C bond-forming reaction of two basic chemicals.

  7. Barrier distribution from 28Si+154Sm quasielastic scattering: Coupling effects in the fusion process

    NASA Astrophysics Data System (ADS)

    Kaur, Gurpreet; Behera, B. R.; Jhingan, A.; Nayak, B. K.; Dubey, R.; Sharma, Priya; Thakur, Meenu; Mahajan, Ruchi; Saneesh, N.; Banerjee, Tathagata; Khushboo; Kumar, A.; Mandal, S.; Saxena, A.; Sugathan, P.; Rowley, N.

    2016-05-01

    Barrier distribution for the 28Si+154Sm system has been extracted from large angle quasielastic scattering measurement to investigate the role of various channel couplings on fusion dynamics. The coupled channel calculations, including the collective excitation of the target and projectile, are observed to reproduce the experimental BD rather well. It seems that the role of neutron transfer, relative to collective excitation, is in fact weak in the 28Si+154Sm system even though it has positive Q-value for neutron transfer channels.

  8. The OpenGeoSys coupling concept for THMC processes in subsurface and the neighboring hydro-compartments

    NASA Astrophysics Data System (ADS)

    Kalbacher, T.; Delfs, J. O.; Shao, H.; Boettcher, N.; Walther, M.; Kolditz, O.

    2012-12-01

    State-of-the-art computational models used for integrated water resources management are rapidly developing instruments. Advances in computational mathematics have revolutionized the variety and the nature of the problems that can be addressed by environmental scientists and engineers. For each hydro-compartment, from precipitation and surface run-off to catchment water balance and groundwater interactions, there exist many excellent simulation codes. However, their development has been isolated within different disciplines. The OpenGeoSys (OGS) project is a scientific open source initiative for numerical simulation of thermo-hydro-mechanical-chemical (THMC) processes in porous and fractured media. The basic concept is to provide a flexible numerical framework (using primarily the Finite Element Method (FEM)) for solving multi-field problems in porous and fractured media for applications in geoscience and hydrology. To this purpose, OGS is based on an object-oriented FEM concept including a broad spectrum of interfaces for pre- and post-processing. The idea includes a web-based platform for community access, outfitted with professional software engineering tools such as platform-independent compiling and fully automated benchmarking. The second strategy is to utilize an additional coupling concept that enables OGS simulations to interact sequentially with other individual modeling software in order to address coupled processes in neighboring hydrologic compartments, which includes methods of coupling different physical processes and different geometric model complexities under consideration of the spatial and temporal scale change and the required computational resources. The IWAS ToolBox concept.

  9. Good Vibrations: Cross-Frequency Coupling in the Human Nucleus Accumbens during Reward Processing

    ERIC Educational Resources Information Center

    Cohen, Michael X.; Axmacher, Nikolai; Lenartz, Doris; Elger, Christian E.; Sturm, Volker; Schlaepfer, Thomas E.

    2009-01-01

    The nucleus accumbens is critical for reward-guided learning and decision-making. It is thought to "gate" the flow of a diverse range of information (e.g., rewarding, aversive, and novel events) from limbic afferents to basal ganglia outputs. Gating and information encoding may be achieved via cross-frequency coupling, in which bursts of…

  10. An Evaluation of Coupled Water and Heat Transport Models in the Vadose Zone with Different Assumptions and Processes

    NASA Astrophysics Data System (ADS)

    Yang, Z.; Mohanty, B.

    2014-12-01

    Understanding and simulating coupled water and heat transfer appropriately in the shallow subsurface is of vital significance for accurate prediction of soil evaporation that would improve the coupling between land surface and atmosphere, which consequently could enhance the reliability of weather and climate forecast. The theory of Philip and de Vries (1957), accounting for coupling between liquid water flow, vapor diffusion and heat transport, was considered physically incomplete and consequently extended by several researchers via taking into account more processes such as vapor convection, dispersion, air flow and dynamic phase change between liquid and vapor. Furthermore, the film flow process induced by adsorptive forces, which was also ignored in Philip and de Vries model for characterizing soil hydraulic parameters, was shown to be non-negligible for soil moisture and evaporation flux calculation in dry soils based on a recent synthetic analysis (Mohanty and Yang, 2013). In fact, the importance of these additional processes in arid and semiarid regions should be critically evaluated. Therefore, a general nonisothermal two-phase flow numerical model is developed to investigate the different conceptual model concepts, assumptions and processes regarding coupled water and heat transport in soils using two field data sets including Riverside, California and Audubon, Arizona. It is found that for the Riverside, California data sets, where the soil is relatively moist, the film flow effect is not very significant. However, for drier soils at the Audubon site in Arizona, the liquid film flow effect was significantly important. The airflow effect is important in both the Riverside site, California and Audubon, Arizona site data set and needs to be accounted for. In addition, the model taking into account non-equilibrium phase change effect is most complicated, however most accurate for both the sites in the study

  11. Understanding The Role of Mate Selection Processes in Couples' Pair-Bonding Behavior.

    PubMed

    Horwitz, Briana N; Reynolds, Chandra A; Walum, Hasse; Ganiban, Jody; Spotts, Erica L; Reiss, David; Lichtenstein, Paul; Neiderhiser, Jenae M

    2016-01-01

    Couples are similar in their pair-bonding behavior, yet the reasons for this similarity are often unclear. A common explanation is phenotypic assortment, whereby individuals select partners with similar heritable characteristics. Alternatively, social homogamy, whereby individuals passively select partners with similar characteristic due to shared social backgrounds, is rarely considered. We examined whether phenotypic assortment and/or social homogamy can contribute to mate similarity using a twin-partner design. The sample came from the Twin and Offspring Study in Sweden, which included 876 male and female monozygotic and same-sex dizygotic twins plus their married or cohabitating partners. Results showed that variance in pair-bonding behavior was attributable to genetic and nonshared environmental factors. Furthermore, phenotypic assortment accounted for couple similarity in pair-bonding behavior. This suggests that individuals' genetically based characteristics are involved in their selection of mates with similar pair-bonding behavior.

  12. COMPONENTS OF LASER SYSTEMS AND PROCESSES OCCURRING IN THEM: Selectivity of coupled dispersive resonators

    NASA Astrophysics Data System (ADS)

    Kravchenko, V. I.; Parkhomenko, Yu N.; Sokolov, V. A.

    1988-09-01

    A study is made of the laws governing interference effects in a system of dispersive resonators coupled by diffraction. An approximate analytic expression is obtained for the selectivity function. An analysis is made of the influence of the parameters of the system on the selectivity curve. It is shown that the strongest manifestation of interference effects is observed when the difference between the Q factors of cophasal and antiphasal types of resonator excitation is maximal.

  13. Ternary and coupled binary zinc tin oxide nanopowders: Synthesis, characterization, and potential application in photocatalytic processes

    SciTech Connect

    Ivetić, T.B.; Finčur, N.L.; Đačanin, Lj. R.; Abramović, B.F.; Lukić-Petrović, S.R.

    2015-02-15

    Highlights: • Mechanochemically synthesized nanocrystalline zinc tin oxide (ZTO) powders. • Photocatalytic degradation of alprazolam in the presence of ZTO water suspensions. • Coupled binary ZTO exhibits enhanced photocatalytic activity compared to ternary ZTO. - Abstract: In this paper, ternary and coupled binary zinc tin oxide nanocrystalline powders were prepared via simple solid-state mechanochemical method. X-ray diffraction, scanning electron microscopy, Raman and reflectance spectroscopy were used to study the structure and optical properties of the obtained powder samples. The thermal behavior of zinc tin oxide system was examined through simultaneous thermogravimetric-differential scanning calorimetric analysis. The efficiencies of ternary (Zn{sub 2}SnO{sub 4} and ZnSnO{sub 3}) and coupled binary (ZnO/SnO{sub 2}) zinc tin oxide water suspensions in the photocatalytic degradation of alprazolam, short-acting anxiolytic of the benzodiazepine class of psychoactive drugs, under UV irradiation were determined and compared with the efficiency of pure ZnO and SnO{sub 2}.

  14. A process to control light in a micro resonator through a coupling modulation by surface acoustic waves

    PubMed Central

    Fan, Guofang; Li, Yuan; Hu, Chunguang; Lei, Lihua; Guo, Yanchuan

    2016-01-01

    A novel process to control light through the coupling modulation by surface acoustic wave (SAW) is presented in an optical micro resonator. An optical waveguide modulator of a racetrack resonator on silicon-on-insulator (SOI) technology is took as an example to explore the mechanism. A finite-difference time-domain (FDTD) is developed to simulate the acousto-optical (AO) modulator using the mechanism. An analytical method is presented to verify our proposal. The results show that the process can work well as an optical modulator by SAW. PMID:27485470

  15. A process to control light in a micro resonator through a coupling modulation by surface acoustic waves

    NASA Astrophysics Data System (ADS)

    Fan, Guofang; Li, Yuan; Hu, Chunguang; Lei, Lihua; Guo, Yanchuan

    2016-08-01

    A novel process to control light through the coupling modulation by surface acoustic wave (SAW) is presented in an optical micro resonator. An optical waveguide modulator of a racetrack resonator on silicon-on-insulator (SOI) technology is took as an example to explore the mechanism. A finite-difference time-domain (FDTD) is developed to simulate the acousto-optical (AO) modulator using the mechanism. An analytical method is presented to verify our proposal. The results show that the process can work well as an optical modulator by SAW.

  16. Improved representations of coupled soil-canopy processes in the CABLE land surface model (Subversion revision 3432)

    NASA Astrophysics Data System (ADS)

    Haverd, Vanessa; Cuntz, Matthias; Nieradzik, Lars P.; Harman, Ian N.

    2016-09-01

    CABLE is a global land surface model, which has been used extensively in offline and coupled simulations. While CABLE performs well in comparison with other land surface models, results are impacted by decoupling of transpiration and photosynthesis fluxes under drying soil conditions, often leading to implausibly high water use efficiencies. Here, we present a solution to this problem, ensuring that modelled transpiration is always consistent with modelled photosynthesis, while introducing a parsimonious single-parameter drought response function which is coupled to root water uptake. We further improve CABLE's simulation of coupled soil-canopy processes by introducing an alternative hydrology model with a physically accurate representation of coupled energy and water fluxes at the soil-air interface, including a more realistic formulation of transfer under atmospherically stable conditions within the canopy and in the presence of leaf litter. The effects of these model developments are assessed using data from 18 stations from the global eddy covariance FLUXNET database, selected to span a large climatic range. Marked improvements are demonstrated, with root mean squared errors for monthly latent heat fluxes and water use efficiencies being reduced by 40 %. Results highlight the important roles of deep soil moisture in mediating drought response and litter in dampening soil evaporation.

  17. Future planning: default network activity couples with frontoparietal control network and reward-processing regions during process and outcome simulations.

    PubMed

    Gerlach, Kathy D; Spreng, R Nathan; Madore, Kevin P; Schacter, Daniel L

    2014-12-01

    We spend much of our daily lives imagining how we can reach future goals and what will happen when we attain them. Despite the prevalence of such goal-directed simulations, neuroimaging studies on planning have mainly focused on executive processes in the frontal lobe. This experiment examined the neural basis of process simulations, during which participants imagined themselves going through steps toward attaining a goal, and outcome simulations, during which participants imagined events they associated with achieving a goal. In the scanner, participants engaged in these simulation tasks and an odd/even control task. We hypothesized that process simulations would recruit default and frontoparietal control network regions, and that outcome simulations, which allow us to anticipate the affective consequences of achieving goals, would recruit default and reward-processing regions. Our analysis of brain activity that covaried with process and outcome simulations confirmed these hypotheses. A functional connectivity analysis with posterior cingulate, dorsolateral prefrontal cortex and anterior inferior parietal lobule seeds showed that their activity was correlated during process simulations and associated with a distributed network of default and frontoparietal control network regions. During outcome simulations, medial prefrontal cortex and amygdala seeds covaried together and formed a functional network with default and reward-processing regions.

  18. Modeling shear failure and permeability enhancement due to coupled Thermal-Hydrological-Mechanical processes in Enhanced Geothermal Reservoirs

    SciTech Connect

    Kelkar, Sharad

    2011-01-01

    The connectivity and accessible surface area of flowing fractures, whether natural or man-made, is possibly the single most important factor, after temperature, which determines the feasibility of an Enhanced Geothermal System (EGS). Rock deformation and in-situ stress changes induced by injected fluids can lead to shear failure on preexisting fractures which can generate microseismic events, and also enhance the permeability and accessible surface area of the geothermal formation. Hence, the ability to accurately model the coupled thermal-hydrologic-mechanical (THM) processes in fractured geological formations is critical in effective EGS reservoir development and management strategies. The locations of the microseismic events can serve as indicators of the zones of enhanced permeability, thus providing vital information for verification of the coupled THM models. We will describe a general purpose computational code, FEHM, developed for this purpose, that models coupled THM processes during multiphase fluid flow and transport in fractured porous media. The code incorporates several models of fracture aperture and stress behavior combined with permeability relationships. We provide field scale examples of applications to geothermal systems to demonstrate the utility of the method.

  19. Final Progress Report: Coupled Biogeochemical Process Evaluation for Conceptualizing Trichloroethylene Cometabolism

    SciTech Connect

    Crawford, Ronald L; Paszczynski, Andrzej J

    2010-02-19

    Our goal within the overall project is to demonstrate the presence and abundance of methane monooxygenases (MMOs) enzymes and their genes within the microbial community of the Idaho National Laboratory (INL) Test Area North (TAN) site. MMOs are thought to be the primary catalysts of natural attenuation of trichloroethylene (TCE) in contaminated groundwater at this location. The actual presence of the proteins making up MMO complexes would provide direct evidence for its participation in TCE degradation. The quantitative estimation of MMO genes and their translation products (sMMO and pMMO proteins) and the knowledge about kinetics and substrate specificity of MMOs will be used to develop mathematical models of the natural attenuation process in the TAN aquifer. The model will be particularly useful in prediction of TCE degradation rate in TAN and possibly in the other DOE sites. Bacteria known as methanotrophs produce a set of proteins that assemble to form methane monooxygenase complexes (MMOs), enzymes that oxidize methane as their natural substrate, thereby providing a carbon and energy source for the organisms. MMOs are also capable of co-metabolically transforming chlorinated solvents like TCE into nontoxic end products such as carbon dioxide and chloride. There are two known forms of methane monooxygenase, a membrane-bound particulate form (pMMO) and a cytoplasmic soluble form (sMMO). pMMO consists of two components, pMMOH (a hydroxylase comprised of 47-, 27-, and 24-kDa subunits) and pMMOR (a reductase comprised of 63 and 8-kDa subunits). sMMO consists of three components: a hydroxylase (protein A-250 kDa), a dimer of three subunits (α2β2γ2), a regulatory protein (protein B-15.8 kDa), and a reductase (protein C-38.6 kDa). All methanotrophs will produce a methanol dehydrogenase to channel the product of methane oxidation (methanol) into the central metabolite formaldehyde. University of Idaho (UI) efforts focused on proteomic analyses using mass

  20. Convergent-close-coupling calculations for excitation and ionization processes of electron-hydrogen collisions in Debye plasmas

    SciTech Connect

    Zammit, Mark C.; Fursa, Dmitry V.; Bray, Igor

    2010-11-15

    Electron-hydrogen scattering in weakly coupled hot-dense plasmas has been investigated using the convergent-close-coupling method. The Yukawa-type Debye-Hueckel potential has been used to describe the plasma screening effects. The target structure, excitation dynamics, and ionization process change dramatically as the screening is increased. Excitation cross sections for the 1s{yields}2s,2p,3s,3p,3d and 2s{yields}2p,3s,3p,3d transitions and total and total ionization cross sections for the scattering from the 1s and 2s states are presented. Calculations cover the energy range from thresholds to high energies (250 eV) for various Debye lengths. We find that as the screening increases, the excitation and total cross sections decrease, while the total ionization cross sections increase.

  1. A Coupled Plasma Dynamics and Gas Flow Model for Semiconductor Processing

    NASA Technical Reports Server (NTRS)

    Bose, Deepak; Govindan, T. R.; Meyyappan, M.; Arnold, James O. (Technical Monitor)

    1998-01-01

    A continuum modeling approach by self-consistently coupling plasma dynamics and gas flow will be presented for the analysis of high density plasma reactors. Experimental data shows that gas flow distribution affects the etch rate uniformity even at low pressures (6-20 mTorr) and flow rates (20-70 sccm). This study will investigate the effects of gas flow and gas energy on bulk plasma densities and temperatures using a continuum model. The model solves multidimensional equations of mass balance for neutrals and ions, gas momentum, separate energy equations for electrons and neutrals and Maxwell's equations for power coupling. A test case of N2 plasma in a 300mm TCP etch reactor, for which hybrid model and Langmuir probe data are available, is chosen for this analysis. Our preliminary results show that modeling gas flow and energy improves the predictions of electron density and its spatial variation in the reactor when compared with the experimental data. The aim of this study is to identify the operating conditions for the TCP reactor when a self-consistent modeling of gas flow is important.

  2. Coupled-channel Treatment of Isobaric Analog Resonances in (p,p‧) Capture Processes

    NASA Astrophysics Data System (ADS)

    Thompson, I. J.; Arbanas, G.

    2014-04-01

    With the advent of nuclear reactions on unstable isotopes, there has been a renewed interest in using isobaric analogue resonances (IAR) as a tool for probing the nuclear structure. The position and width of isobaric analogue resonances in nucleon-nucleus scattering are accurate and detailed indicators of the positions of resonances and bound states with good single-particle characters. We report on implementation within our coupled-channels code FRESCO of the charge-exchange interaction term that transforms an incident proton into a neutron. Isobaric analog resonances are seen as peaks in γ-ray spectrum when the proton is transformed into a neutron at an energy near a neutron bound state. The Lane coupled-channels formalism was extended to follow the non-orthogonality of this neutron channel with that configuration of an inelastic outgoing proton, and the target being left in a particle-hole excited state. This is tested for 208Pb, for which good (p,p'γ) coincidence data exists.

  3. Coupled-channel treatment of Isobaric Analog Resonances in (p,p') Capture Processes

    SciTech Connect

    Thompson, I J; Arbanas, Goran

    2013-01-01

    With the advent of nuclear reactions on unstable isotopes, there has been a renewed interest in using isobaric analogue resonances (IAR) as a tool for probing the nuclear structure. The position and width of isobaric analogue resonances in nucleon-nucleus scattering are accurate and detailed indicators of the positions of resonances and bound states with good single-particle characters. We report on implementation within our coupled-channels code FRESCO of the charge-exchange interaction term that transforms an incident proton into a neutron. Isobaric analog resonances are seen as peaks in gamma-ray spectrum when the proton is transformed into a neutron at an energy near a neutron bound state. The Lane coupled-channels formalism was extended to follow the nonorthogonality of this neutron channel with that configuration of an inelastic outgoing proton, and the target being left in a particle-hole excited state. This is tested for 208Pb, for which good (p,p g)

  4. Coupling, controlling, and processing non-transversal photons with a single atom

    NASA Astrophysics Data System (ADS)

    Rauschenbeutel, Arno

    2014-05-01

    I will report on recent experimental investigations of the interaction between single rubidium atoms and light that is confined by continuous total internal reflection in a whispering-gallery-mode (WGM) bottle microresonator. These resonators offer the advantage of very long photon lifetimes in conjunction with near lossless in- and out-coupling of light via tapered fiber couplers. We discovered that the non-transversal polarization of WGMs fundamentally alters the physics of light-matter interaction. Taking advantage of this effect, we recently demonstrated switching of signals between two distinct optical fibers controlled by a single atom. Owing to the excellent optical properties of our bottle microresonator, the scheme yields high switching fidelities and low losses. Furthermore, we exploited the strong birefringence of the bottle microresonator and implemented a single-atom-controlled polarization flip of the light that is guided through the coupling fiber. And finally, we made use of the strong nonlinear response of the atom-resonator system and experimentally realized an optical Kerr nonlinearity at the level of single photon. Analyzing the transmitted light, we observe a nonlinear phase shift of π between the cases of one and of two photons passing the resonator. This phase shift leads to entanglement between previously independent fiber-guided photons, which we verify by performing a full quantum state tomography of the transmitted two-photon state.

  5. Planarized process for resonant leaky-wave coupled phase-locked arrays of mid-IR quantum cascade lasers

    NASA Astrophysics Data System (ADS)

    Chang, C.-C.; Kirch, J. D.; Boyle, C.; Sigler, C.; Mawst, L. J.; Botez, D.; Zutter, B.; Buelow, P.; Schulte, K.; Kuech, T.; Earles, T.

    2015-03-01

    On-chip resonant leaky-wave coupling of quantum cascade lasers (QCLs) emitting at 8.36 μm has been realized by selective regrowth of interelement layers in curved trenches, defined by dry and wet etching. The fabricated structure provides large index steps (Δn = 0.10) between antiguided-array element and interelement regions. In-phase-mode operation to 5.5 W front-facet emitted power in a near-diffraction-limited far-field beam pattern, with 4.5 W in the main lobe, is demonstrated. A refined fabrication process has been developed to produce phased-locked antiguided arrays of QCLs with planar geometry. The main fabrication steps in this process include non-selective regrowth of Fe:InP in interelement trenches, defined by inductive-coupled plasma (ICP) etching, a chemical polishing (CP) step to planarize the surface, non-selective regrowth of interelement layers, ICP selective etching of interelement layers, and non-selective regrowth of InP cladding layer followed by another CP step to form the element regions. This new process results in planar InGaAs/InP interelement regions, which allows for significantly improved control over the array geometry and the dimensions of element and interelement regions. Such a planar process is highly desirable to realize shorter emitting wavelength (4.6 μm) arrays, where fabrication tolerance for single-mode operation are tighter compared to 8 μm-emitting devices.

  6. Unsupportive Partner Behaviors, Social-Cognitive Processing, and Psychological Outcomes in Couples Coping with Early Stage Breast Cancer

    PubMed Central

    Manne, Sharon; Kashy, Deborah A.; Siegel, Scott; Myers, Shannon; Heckman, Carolyn; Ryan, Danielle

    2014-01-01

    This study examined associations between partner unsupportive behaviors, social and cognitive processing, and adaptation in patients and their spouses using a dyadic and interdependent analytic approach. Women with early stage breast cancer (N=330) and their spouses completed measures of partner unsupportive behavior, maladaptive social (holding back sharing concerns) and cognitive processing (mental disengagement, and behavioral disengagement), and global well-being and cancer distress. Results indicated that both individuals' reports of unsupportive partner behavior were associated with their own holding back and their partners' holding back. Similar actor and partner effects were found between unsupportive behavior and behavioral disengagement. However, both patients' and partners' mental disengagement were associated only with their own unsupportive behavior. Together, holding back, mental disengagement, and behavioral disengagement accounted for one third of the association between partner unsupportive behavior and well-being and one half of the association between partner unsupportive behavior and intrusive thoughts. These results suggest that couples' communication and processing of cancer should be viewed from a dyadic perspective because couples' perceptions of one another's unsupportive behaviors may have detrimental effects on both partners' social and cognitive processing as well as their adaptation. PMID:24611691

  7. OGS#PETSc approach for robust and efficient simulations of strongly coupled hydrothermal processes in EGS reservoirs

    NASA Astrophysics Data System (ADS)

    Watanabe, Norihiro; Blucher, Guido; Cacace, Mauro; Kolditz, Olaf

    2016-04-01

    A robust and computationally efficient solution is important for 3D modelling of EGS reservoirs. This is particularly the case when the reservoir model includes hydraulic conduits such as induced or natural fractures, fault zones, and wellbore open-hole sections. The existence of such hydraulic conduits results in heterogeneous flow fields and in a strengthened coupling between fluid flow and heat transport processes via temperature dependent fluid properties (e.g. density and viscosity). A commonly employed partitioned solution (or operator-splitting solution) may not robustly work for such strongly coupled problems its applicability being limited by small time step sizes (e.g. 5-10 days) whereas the processes have to be simulated for 10-100 years. To overcome this limitation, an alternative approach is desired which can guarantee a robust solution of the coupled problem with minor constraints on time step sizes. In this work, we present a Newton-Raphson based monolithic coupling approach implemented in the OpenGeoSys simulator (OGS) combined with the Portable, Extensible Toolkit for Scientific Computation (PETSc) library. The PETSc library is used for both linear and nonlinear solvers as well as MPI-based parallel computations. The suggested method has been tested by application to the 3D reservoir site of Groß Schönebeck, in northern Germany. Results show that the exact Newton-Raphson approach can also be limited to small time step sizes (e.g. one day) due to slight oscillations in the temperature field. The usage of a line search technique and modification of the Jacobian matrix were necessary to achieve robust convergence of the nonlinear solution. For the studied example, the proposed monolithic approach worked even with a very large time step size of 3.5 years.

  8. Coupling glacial lake impact, dam breach, and flood processes: A modeling perspective

    NASA Astrophysics Data System (ADS)

    Worni, Raphael; Huggel, Christian; Clague, John J.; Schaub, Yvonne; Stoffel, Markus

    2014-11-01

    Glacial lake outburst floods (GLOFs) are highly mobile mixtures of water and sediment that occur suddenly and are capable of traveling tens to hundreds of kilometers with peak discharges and volumes several orders of magnitude larger than those of normal floods. They travel along existing river channels, in some instances into populated downstream regions, and thus pose a risk to people and infrastructure. Many recent events involve process chains, such as mass movements impacting glacial lakes and triggering dam breaches with subsequent outburst floods. A concern is that effects of climate change and associated increased instability of high mountain slopes may exacerbate such process chains and associated extreme flows. Modeling tools can be used to assess the hazard of potential future GLOFs, and process modeling can provide insights into complex processes that are difficult to observe in nature. A number of numerical models have been developed and applied to simulate different types of extreme flows, but such modeling faces challenges stemming from a lack of process understanding and difficulties in measuring extreme flows for calibration purposes. Here we review the state of knowledge of key aspects of modeling GLOFs, with a focus on process cascades. Analysis and simulation of the onset, propagation, and potential impact of GLOFs are based on illustrative case studies. Numerical models are presently available for simulating impact waves in lakes, dam failures, and flow propagation but have been used only to a limited extent for integrated simulations of process cascades. We present a spectrum of case studies from Patagonia, the European Alps, central Asia, and the Himalayas in which we simulate single processes and process chains of past and potential future events. We conclude that process understanding and process chain modeling need to be strengthened and that research efforts should focus on a more integrative treatment of processes in numerical models.

  9. MI Coupling Processes in the Regions of Diffuse Aurora: Magnetospheric Outlook

    NASA Astrophysics Data System (ADS)

    Khazanov, George V.; Glocer, Alex; Sibeck, David

    2016-04-01

    In this talk we present the solution of the Boltzmann-Landau kinetic equation that uniformly describes the entire electron distribution function in the diffuse aurora. The calculation includes the affiliated production of secondary electrons and their energy interplay in the magnetosphere and two conjugated ionospheres. This solution starts with the primary injection of plasma sheet electrons via both electron cyclotron harmonic waves and whistler mode chorus waves to the loss cone, and includes their subsequent multiple atmospheric reflections between the two magnetically conjugated ionospheres. It is demonstrated that magnetosphere-ionosphere coupling is the key element in the formation of electron distribution function in the region of diffuse aurora at the magnetospheric altitudes.

  10. Rain-aerosol coupling in urban area: Scavenging ratio measurement and identification of some transfer processes

    NASA Astrophysics Data System (ADS)

    Jaffrezo, J.-L.; Colin, J.-L.

    Coupling between rain and associated aerosol has been studied for 1 year in Paris. Sampling techniques were chosen so as to describe the interacting phases as precisely as possible: exclusion of dry deposition, separation of successive rain events by an automatic sequential collector and aerosol collection over 6-h periods only. Study of interphase correlations for 82 events reveals three groups of species with distinctly different behaviour: insolubles—Al, Si, Fe; solubles—SO 42-, K, Ca, Zn, Mg; and the extreme case of Na and Cl. Interphase relationships decrease in this order. Variations of the scavenging ratio are in good agreement with the theoretical curve for collection efficiency. Noteworthy is the rise of the experimental curve for sub-μm particles. An interpretation based on the origin and hygroscopy of the species is attempted. Apart from their predictive ability in geochemical assessment, scavenging ratios appear useful for investigating the mechanisms of transfer between aerosols and precipitation.

  11. Starch extraction process coupled to protein recovery from leguminous tuberous roots (Pachyrhizus ahipa).

    PubMed

    Díaz, Andrea; Dini, Cecilia; Viña, Sonia Z; García, María A

    2016-11-01

    The objective of this work was to fit together the starch extraction from Pachyrhizus ahipa roots and the recovery of the proteins present in these storage organs, making an improved use of this novel raw material. The replacement of water by buffer PO4(-3)/NaCl as solvent in the first extraction steps improved protein extraction without lowering the starch yield. The starches obtained from the traditional and the proposed methods exhibited some differences in appearance and technological and thermal properties, which were endorsed to the adjustment in the methodology of extraction rather than to the use of buffer as solvent. Thus, P. ahipa starch obtaining procedure could be coupled to protein extraction with a minimum change in the methodology. This innovation did not significantly shift the characteristics of the starch obtained and allowed to obtain a protein yield of 135.7mg BSA equivalent protein/100g of fresh roots. PMID:27516269

  12. Starch extraction process coupled to protein recovery from leguminous tuberous roots (Pachyrhizus ahipa).

    PubMed

    Díaz, Andrea; Dini, Cecilia; Viña, Sonia Z; García, María A

    2016-11-01

    The objective of this work was to fit together the starch extraction from Pachyrhizus ahipa roots and the recovery of the proteins present in these storage organs, making an improved use of this novel raw material. The replacement of water by buffer PO4(-3)/NaCl as solvent in the first extraction steps improved protein extraction without lowering the starch yield. The starches obtained from the traditional and the proposed methods exhibited some differences in appearance and technological and thermal properties, which were endorsed to the adjustment in the methodology of extraction rather than to the use of buffer as solvent. Thus, P. ahipa starch obtaining procedure could be coupled to protein extraction with a minimum change in the methodology. This innovation did not significantly shift the characteristics of the starch obtained and allowed to obtain a protein yield of 135.7mg BSA equivalent protein/100g of fresh roots.

  13. Coupled land-ocean-atmosphere processes and South asian monsoon variability.

    PubMed

    Meehl, G A

    1994-10-14

    Results from a global coupled ocean-atmosphere climate model and a model with specified tropical convective heating anomalies show that the South Asian monsoon was an active part of the tropical biennial oscillation (TBO). Convective heating anomalies over Africa and the western Pacific Ocean associated with the TBO altered the simulated pattern of atmospheric circulation for the Northern Hemisphere winter mid-latitude over Asia. This alteration in the mid-latitude circulation maintained temperature anomalies over South Asia through winter and helped set up the land-sea temperature contrast for subsequent monsoon development. South Asian snow cover contributed to monsoon strength but was symptomatic of the larger scale alteration in the mid-latitude atmospheric circulation pattern. PMID:17771448

  14. Instantaneous Non-Linear Processing by Pulse-Coupled Threshold Units

    PubMed Central

    Rotter, Stefan; Diesmann, Markus

    2010-01-01

    Contemporary theory of spiking neuronal networks is based on the linear response of the integrate-and-fire neuron model derived in the diffusion limit. We find that for non-zero synaptic weights, the response to transient inputs differs qualitatively from this approximation. The response is instantaneous rather than exhibiting low-pass characteristics, non-linearly dependent on the input amplitude, asymmetric for excitation and inhibition, and is promoted by a characteristic level of synaptic background noise. We show that at threshold the probability density of the potential drops to zero within the range of one synaptic weight and explain how this shapes the response. The novel mechanism is exhibited on the network level and is a generic property of pulse-coupled networks of threshold units. PMID:20856583

  15. Understanding the pregnancy decision-making process among couples seeking induced abortion.

    PubMed

    Costescu, Dustin J; Lamont, John A

    2013-10-01

    Objectif : Le rôle des partenaires en ce qui a trait à l’expérience de l’avortement est complexe et mal compris. Nous avons cherché à examiner la façon dont les femmes et leur partenaire abordent le processus décisionnel en ce qui concerne la grossesse. Méthodes : Trente couples sollicitant des services d’avortement ont rempli des questionnaires explorant les expériences qui mènent à l’avortement. Les couples ont été séparés pendant l’administration des questionnaires et les carnets de réponse ont été codés en vue de permettre la tenue de comparaisons au sein de chaque couple. Cette partie de l’étude a exploré la participation du partenaire au processus décisionnel. Résultats : La moitié des femmes avaient décidé de subir un avortement avant même d’aviser leur partenaire de la présence d’une grossesse. Toutes les femmes qui étaient toujours indécises au moment de la divulgation ont cherché à obtenir l’avis de leur partenaire. Bien que la plupart des participants (84 %) aient été satisfaits de l’ampleur de la discussion qui s’est déroulée avec leur partenaire, le cinquième des femmes et près du tiers des hommes auraient souhaité pouvoir en discuter davantage. Plus de femmes que d’hommes étaient satisfaits des discussions qui ont eu lieu (96,6 % vs 70,4 %). Deux tiers des répondants ont considéré que la décision d’avoir recours à l’avortement avait été prise par les deux partenaires, le quart des répondants ont considéré que cette décision relevait principalement de la femme, tandis que 5 % des répondants ont considéré qu’elle relevait principalement de l’homme. Conclusion : Bien qu’il revienne à la femme de choisir de subir ou non un avortement, son partenaire pourrait jouer un rôle dans le processus décisionnel, particulièrement dans les cas où la femme est indécise. Pour de nombreux couples sollicitant des services d’avortement, la décision est consid

  16. Murine leukemia virus RNA dimerization is coupled to transcription and splicing processes

    PubMed Central

    2010-01-01

    Most of the cell biological aspects of retroviral genome dimerization remain unknown. Murine leukemia virus (MLV) constitutes a useful model to study when and where dimerization occurs within the cell. For instance, MLV produces a subgenomic RNA (called SD') that is co-packaged with the genomic RNA predominantly as FLSD' heterodimers. This SD' RNA is generated by splicing of the genomic RNA and also by direct transcription of a splice-associated retroelement of MLV (SDARE). We took advantage of these two SD' origins to study the effects of transcription and splicing events on RNA dimerization. Using genetic approaches coupled to capture of RNA heterodimer in virions, we determined heterodimerization frequencies in different cellular contexts. Several cell lines were stably established in which SD' RNA was produced by either splicing or transcription from SDARE. Moreover, SDARE was integrated into the host chromosome either concomitantly or sequentially with the genomic provirus. Our results showed that transcribed genomic and SD' RNAs preferentially formed heterodimers when their respective proviruses were integrated together. In contrast, heterodimerization was strongly affected when the two proviruses were integrated independently. Finally, dimerization was enhanced when the transcription sites were expected to be physically close. For the first time, we report that splicing and RNA dimerization appear to be coupled. Indeed, when the RNAs underwent splicing, the FLSD' dimerization reached a frequency similar to co-transcriptional heterodimerization. Altogether, our results indicate that randomness of heterodimerization increases when RNAs are co-expressed during either transcription or splicing. Our results strongly support the notion that dimerization occurs in the nucleus, at or near the transcription and splicing sites, at areas of high viral RNA concentration. PMID:20687923

  17. Aluminium content of some processed foods, raw materials and food additives in China by inductively coupled plasma-mass spectrometry.

    PubMed

    Deng, Gui-Fang; Li, Ke; Ma, Jing; Liu, Fen; Dai, Jing-Jing; Li, Hua-Bin

    2011-01-01

    The level of aluminium in 178 processed food samples from Shenzhen city in China was evaluated using inductively coupled plasma-mass spectrometry. Some processed foods contained a concentration of up to 1226 mg/kg, which is about 12 times the Chinese food standard. To establish the main source in these foods, Al levels in the raw materials were determined. However, aluminium concentrations in raw materials were low (0.10-451.5 mg/kg). Therefore, aluminium levels in food additives used in these foods was determined and it was found that some food additives contained a high concentration of aluminium (0.005-57.4 g/kg). The results suggested that, in the interest of public health, food additives containing high concentrations of aluminium should be replaced by those containing less. This study has provided new information on aluminium levels in Chinese processed foods, raw materials and a selection of food additives.

  18. A literature review of coupled thermal-hydrologic-mechanical-chemical processes pertinent to the proposed high-level nuclear waste repository at Yucca Mountain

    SciTech Connect

    Manteufel, R.D.; Ahola, M.P.; Turner, D.R.; Chowdhury, A.H.

    1993-07-01

    A literature review has been conducted to determine the state of knowledge available in the modeling of coupled thermal (T), hydrologic (H), mechanical (M), and chemical (C) processes relevant to the design and/or performance of the proposed high-level waste (HLW) repository at Yucca Mountain, Nevada. The review focuses on identifying coupling mechanisms between individual processes and assessing their importance (i.e., if the coupling is either important, potentially important, or negligible). The significance of considering THMC-coupled processes lies in whether or not the processes impact the design and/or performance objectives of the repository. A review, such as reported here, is useful in identifying which coupled effects will be important, hence which coupled effects will need to be investigated by the US Nuclear Regulatory Commission in order to assess the assumptions, data, analyses, and conclusions in the design and performance assessment of a geologic reposit``. Although this work stems from regulatory interest in the design of the geologic repository, it should be emphasized that the repository design implicitly considers all of the repository performance objectives, including those associated with the time after permanent closure. The scope of this review is considered beyond previous assessments in that it attempts with the current state-of-knowledge) to determine which couplings are important, and identify which computer codes are currently available to model coupled processes.

  19. Three-dimensional approach using two coupled models for description of hydrological and biogeochemical processes at the catchment scale

    NASA Astrophysics Data System (ADS)

    Plesca, Ina; Kraft, Philipp; Haas, Edwin; Klatt, Steffen; Butterbach-Bahl, Klaus; Frede, Hans-Georg; Breuer, Lutz

    2014-05-01

    Hydrological and biogeochemical transport through changing landscapes has been well described during the past years in literature. However, the uncertainties of combined water quality and water quantity models are still challenging, both due to a lack in process understanding as well to spatiotemporal heterogeneity of environmental conditions driving the processes. In order to reduce the uncertainty in water quality and runoff predictions at the catchment scale, a variety of different model approaches from empirical-conceptual to fully physical and process based models have been developed. In this study we present a new modelling approach for the investigation of hydrological processes and nutrient cycles, with a focus on nitrogen in a small catchment from Hessen, Germany. A hydrological model based on the model toolbox Catchment Modelling Framework (CMF) has been coupled with the process based biogeochemical model LandscapeDNDC. States, fluxes and parameters are exchanged between the models at high temporal and spatial resolution using the Python scripting language in order to obtain a 3-dimensional model application. The transport of water and nutrients through the catchment is modelled using a 3D Richards/Darcy approach for subsurface fluxes, a kinematic wave approach for surface runoff and a Penman-Monteith based calculation of evapotranspiration. Biogeochemical processes are modelled by Landscape-DNDC, including plant growth and biomass allocation, organic matter mineralisation, nitrification, denitrification and associated nitrous oxide emissions. The interactions and module connectivity between the two coupled models, as well as the model application on a 3.7 km² catchment with the runoff results and nitrogen quantification will be presented in this study.

  20. Salicylic acid degradation by advanced oxidation processes. Coupling of solar photoelectro-Fenton and solar heterogeneous photocatalysis.

    PubMed

    Garza-Campos, Benjamin; Brillas, Enric; Hernández-Ramírez, Aracely; El-Ghenymy, Abdellatif; Guzmán-Mar, Jorge Luis; Ruiz-Ruiz, Edgar J

    2016-12-01

    A 3.0 L solar flow plant with a Pt/air-diffusion (anode/cathode) cell, a solar photoreactor and a photocatalytic photoreactor filled with TiO2-coated glass spheres has been utilized to couple solar photoelectro-Fenton (SPEF) and solar heterogeneous photocatalysis (SPC) for treating a 165mgL(-1) salicylic acid solution of pH 3.0. Organics were destroyed by OH radicals formed on the TiO2 photocatalyst and at the Pt anode during water oxidation and in the bulk from Fenton's reaction between added Fe(2+) and cathodically generated H2O2, along with the photolytic action of sunlight. Poor salicylic acid removal and mineralization were attained using SPC, anodic oxidation with electrogenerated H2O2 (AO-H2O2) and coupled AO-H2O2-SPC. The electro-Fenton process accelerated the substrate decay, but with low mineralization by the formation of byproducts that are hardly destroyed by OH. The mineralization was strongly increased by SPEF due to the photolysis of products by sunlight, being enhanced by coupled SPEF-SPC due to the additional oxidation by OH at the TiO2 surface. The effect of current density on the performance of both processes was examined. The most potent SPEF-SPC process at 150mAcm(-2) yielded 87% mineralization and 13% current efficiency after consuming 6.0AhL(-1). Maleic, fumaric and oxalic acids detected as final carboxylic acids were completely removed by SPEF and SPEF-SPC. PMID:26947802

  1. Salicylic acid degradation by advanced oxidation processes. Coupling of solar photoelectro-Fenton and solar heterogeneous photocatalysis.

    PubMed

    Garza-Campos, Benjamin; Brillas, Enric; Hernández-Ramírez, Aracely; El-Ghenymy, Abdellatif; Guzmán-Mar, Jorge Luis; Ruiz-Ruiz, Edgar J

    2016-12-01

    A 3.0 L solar flow plant with a Pt/air-diffusion (anode/cathode) cell, a solar photoreactor and a photocatalytic photoreactor filled with TiO2-coated glass spheres has been utilized to couple solar photoelectro-Fenton (SPEF) and solar heterogeneous photocatalysis (SPC) for treating a 165mgL(-1) salicylic acid solution of pH 3.0. Organics were destroyed by OH radicals formed on the TiO2 photocatalyst and at the Pt anode during water oxidation and in the bulk from Fenton's reaction between added Fe(2+) and cathodically generated H2O2, along with the photolytic action of sunlight. Poor salicylic acid removal and mineralization were attained using SPC, anodic oxidation with electrogenerated H2O2 (AO-H2O2) and coupled AO-H2O2-SPC. The electro-Fenton process accelerated the substrate decay, but with low mineralization by the formation of byproducts that are hardly destroyed by OH. The mineralization was strongly increased by SPEF due to the photolysis of products by sunlight, being enhanced by coupled SPEF-SPC due to the additional oxidation by OH at the TiO2 surface. The effect of current density on the performance of both processes was examined. The most potent SPEF-SPC process at 150mAcm(-2) yielded 87% mineralization and 13% current efficiency after consuming 6.0AhL(-1). Maleic, fumaric and oxalic acids detected as final carboxylic acids were completely removed by SPEF and SPEF-SPC.

  2. Optoelectronic properties of Black-Silicon generated through inductively coupled plasma (ICP) processing for crystalline silicon solar cells

    NASA Astrophysics Data System (ADS)

    Hirsch, Jens; Gaudig, Maria; Bernhard, Norbert; Lausch, Dominik

    2016-06-01

    The optoelectronic properties of maskless inductively coupled plasma (ICP) generated black silicon through SF6 and O2 are analyzed by using reflection measurements, scanning electron microscopy (SEM) and quasi steady state photoconductivity (QSSPC). The results are discussed and compared to capacitively coupled plasma (CCP) and industrial standard wet chemical textures. The ICP process forms parabolic like surface structures in a scale of 500 nm. This surface structure reduces the average hemispherical reflection between 300 and 1120 nm up to 8%. Additionally, the ICP texture shows a weak increase of the hemispherical reflection under tilted angles of incidence up to 60°. Furthermore, we report that the ICP process is independent of the crystal orientation and the surface roughness. This allows the texturing of monocrystalline, multicrystalline and kerf-less wafers using the same parameter set. The ICP generation of black silicon does not apply a self-bias on the silicon sample. Therefore, the silicon sample is exposed to a reduced ion bombardment, which reduces the plasma induced surface damage. This leads to an enhancement of the effective charge carrier lifetime up to 2.5 ms at 1015 cm-3 minority carrier density (MCD) after an atomic layer deposition (ALD) with Al2O3. Since excellent etch results were obtained already after 4 min process time, we conclude that the ICP generation of black silicon is a promising technique to substitute the industrial state of the art wet chemical textures in the solar cell mass production.

  3. Coupled Molecular Switching Processes in Ordered Mono- and Multilayers of Stimulus-Responsive Rotaxanes on Gold Surfaces

    PubMed Central

    2015-01-01

    Interfaces provide the structural basis for function as, for example, encountered in nature in the membrane-embedded photosystem or in technology in solar cells. Synthetic functional multilayers of molecules cooperating in a coupled manner can be fabricated on surfaces through layer-by-layer self-assembly. Ordered arrays of stimulus-responsive rotaxanes undergoing well-controlled axle shuttling are excellent candidates for coupled mechanical motion. Such stimulus-responsive surfaces may help integrate synthetic molecular machines in larger systems exhibiting even macroscopic effects or generating mechanical work from chemical energy through cooperative action. The present work demonstrates the successful deposition of ordered mono- and multilayers of chemically switchable rotaxanes on gold surfaces. Rotaxane mono- and multilayers are shown to reversibly switch in a coupled manner between two ordered states as revealed by linear dichroism effects in angle-resolved NEXAFS spectra. Such a concerted switching process is observed only when the surfaces are well packed, while less densely packed surfaces lacking lateral order do not exhibit such effects. PMID:25782057

  4. Land-atmosphere CO2 exchange simulated by a land surface process model coupled to an atmospheric general circulation model

    NASA Astrophysics Data System (ADS)

    Bonan, Gordon B.

    1995-02-01

    CO2 uptake during plant photosynthesis and CO2 loss during plant and microbial respiration were added to a land surface process model to simulate the diurnal and annual cycles of biosphere-atmosphere CO2 exchange. The model was coupled to a modified version of the National Center for Atmospheric Research (NCAR) Community Climate Model version 2 (CCM2), and the coupled model was run for 5 years. The geographic patterns of annual net primary production are qualitatively similar to other models. When compared by vegetation type, annual production and annual microbial respiration are consistent with other models, except for needleleaf evergreen tree vegetation, where production is too high, and semidesert vegetation, where production and microbial respiration are too low. The seasonality of the net CO2 flux agrees with other models in the southern hemisphere and the tropics. The diurnal range is large for photosynthesis and lower for plant and microbial respiration, which agrees with qualitative expectations. The simulation of the central United States is poor due to temperature and precipitation biases in the coupled model. Despite these deficiencies the current approach is a promising means to include terrestrial CO2 fluxes in a climate system model that simulates atmospheric CO2 concentrations, because it alleviates important parameterization discrepancies between standard biogeochemical models and the land surface models typically used in general circulation models, and because the model resolves the diurnal range of CO2 exchange, which can be large (15 - 45 micromol CO2 sq m/s).

  5. A process-based evapotranspiration model incorporating coupled soil water-atmospheric controls

    NASA Astrophysics Data System (ADS)

    Haghighi, Erfan; Kirchner, James

    2016-04-01

    Despite many efforts to develop evapotranspiration models (in the framework of the Penman-Monteith equation) with improved parametrizations of various resistance terms to water vapor transfer into the atmosphere, evidence suggests that estimates of evapotranspiration and its partitioning are prone to bias. Much of this bias could arise from the exclusion of surface hydro-thermal properties and of physical interactions close to the surface where heat and water vapor fluxes originate. Recent progress has been made in mechanistic modeling of surface-turbulence interactions, accounting for localized heat and mass exchange rates from bare soil surfaces covered by protruding obstacles. We seek to extend these results partially vegetated surfaces, to improve predictive capabilities and accuracy of remote sensing techniques quantifying evapotranspiration fluxes. The governing equations of liquid water, water vapor, and energy transport dynamics in the soil-plant-atmosphere system are coupled to resolve diffusive vapor fluxes from isolated pores (plant stomata and soil pores) across a near-surface viscous sublayer, explicitly accounting for pore-scale transport mechanisms and environmental forcing. Preliminary results suggest that this approach offers unique opportunities for directly linking transport properties in plants and adjacent bare soil with resulting plant transpiration and localized bare soil evaporation rates. It thus provides an essential building block for interpreting and upscaling results to field and landscape scales for a range of vegetation cover and atmospheric conditions.

  6. Pore-Scale Process Coupling and Effective Surface Reaction Rates in Heterogeneous Subsurface Materials

    SciTech Connect

    Liu, Chongxuan; Liu, Yuanyuan; Kerisit, Sebastien N.; Zachara, John M.

    2015-09-01

    This manuscript provides a review of pore-scale researches in literature including experimental and numerical approaches, and scale-dependent behavior of geochemical and biogeochemical reaction rates in heterogeneous porous media. A mathematical equation that can be used to predict the scale-dependent behavior of geochemical reaction rates in heterogeneous porous media has been derived. The derived effective rate expression explicitly links the effective reaction rate constant to the intrinsic rate constant, and to the pore-scale variations in reactant concentrations in porous media. Molecular simulations to calculate the intrinsic rate constants were provided. A few examples of pore-scale simulations were used to demonstrate the application of the equation to calculate effective rate constants in heterogeneous materials. The results indicate that the deviation of effective rate constant from the intrinsic rate in heterogeneous porous media is caused by the pore-scale distributions of reactants and their correlation, which are affected by the pore-scale coupling of reactions and transport.

  7. A computational model for coupled multiphysics processes of CO2 sequestration in fractured porous media

    NASA Astrophysics Data System (ADS)

    Talebian, M.; Al-Khoury, R.; Sluys, L. J.

    2013-09-01

    In this paper, a computational model for the simulation of coupled hydromechanical and electrokinetic flow in fractured porous media is introduced. Particular emphasis is placed on modeling CO2 flow in a deformed, fractured geological formation and the associated electrokinetic flow. The governing field equations are derived based on the averaging theory and the double porosity model. They are solved numerically with a mixed discretization scheme, formulated on the basis of the standard Galerkin finite element method, the extended finite element method, the level-set method and the Petrov-Galerkin method. The standard Galerkin method is utilized to discretize the equilibrium and the diffusive dominant field equations, and the extended finite element method, together with the level-set method and the Petrov-Galerkin method, are utilized to discretize the advective dominant field equations. The level-set method is employed to trace the CO2 plume front, and the extended finite element method is employed to model the high gradient in the saturation field front. The proposed mixed discretization scheme leads to a convergent system, giving a stable and effectively mesh-independent model. The accuracy and computational efficiency of the proposed model is evaluated by verification and numerical examples. Effects of the fracture spacing on the CO2 flow and the streaming potential are discussed.

  8. Coupled-channels study of the {pi}{sup -}p{yields}{eta}n process

    SciTech Connect

    Durand, J.; Saghai, B.; Lee, T.-S. H.; Sato, T.

    2008-08-15

    The reaction {pi}{sup -}p{yields}{eta}n is investigated within a dynamical coupled-channels model of meson production reactions in the nucleon resonance region. The meson baryon channels included are {pi}N,{eta}N,{pi}{delta},{sigma}N, and {rho}N. The nonresonant meson-baryon interactions of the model are derived from a set of Lagrangians by using a unitary transformation method. One or two excited nucleon states in each of S,P,D, and F partial waves are included to generate the resonant amplitudes. Data of the {pi}{sup -}p{yields}{eta}n reaction from threshold up to a total center-of-mass energy of about 2 GeV are satisfactorily reproduced and the roles played by the following nine nucleon resonances are investigated: S{sub 11}(1535),S{sub 11}(1650),P{sub 11}(1440),P{sub 11}(1710),P{sub 13}(1720),D{sub 13}(1520),D{sub 13}(1700),D{sub 15} (1675), and F{sub 15}(1680). The reaction mechanism and the predicted {eta}N scattering length are discussed.

  9. Beta oscillations and reward processing: Coupling oscillatory activity and hemodynamic responses.

    PubMed

    Mas-Herrero, Ernest; Ripollés, Pablo; HajiHosseini, Azadeh; Rodríguez-Fornells, Antoni; Marco-Pallarés, Josep

    2015-10-01

    Diverse cortical and subcortical regions are synergically engaged during reward processing. Previous studies using time-frequency decomposition of Electroencephalography (EEG) data have revealed an increase of mid-frontal beta oscillatory activity (BOA) after reward delivery, which could be a potential mechanism in the coordination of the different areas engaged during reward processing. In order to evaluate this hypothesis, twenty subjects performed a monetary gambling paradigm in two separate sessions (EEG and fMRI). Time-frequency oscillatory EEG data and fMRI activity were fused using Joint Independent Component Analysis (ICA). The present results showed that mid-frontal BOA elicited by monetary gains is associated with the engagement of a fronto-striatal-hippocampal network previously involved in reward-related memory enhancement, supporting the role of this activity during reward processing.

  10. Towards disentangling coupled electronic-vibrational dynamics in ultrafast non-adiabatic processes

    PubMed

    Blanchet; Lochbrunner; Schmitt; Shaffer; Larsen; Zgierski; Seideman; Stolow

    2000-01-01

    Femtosecond time-resolved photoelectron spectroscopy is emerging as a new technique for investigating polyatomic excited state dynamics. Due to the sensitivity of photoelectron spectroscopy to both electronic configurations and vibrational dynamics, it is well suited to the study of non-adiabatic processes such as internal conversion, which often occur on sub-picosecond time scales. We discuss the technical requirements for such experiments, including lasers systems, energy- and angle-resolved photoelectron spectrometers and new detectors for coincidence experiments. We present a few examples of these methods applied to problems in diatomic wavepacket dynamics and ultrafast non-adiabatic processes in polyatomic molecules.

  11. Chilly Hilly - coupling models of landscape evolution and subsurface thermal processes

    NASA Astrophysics Data System (ADS)

    Barnhart, K. R.; Anderson, R. S.

    2014-12-01

    Many hillslope processes - physical, chemical, and biological - depend on subsurface temperature and water availability. As the subsurface temperature field varies both in space and through climate cycles, the dominant processes of mobile regolith production and transport and the rate at which they act will vary. These processes include the chemical weathering of minerals, cracking of rocks through frost action and tree roots, presence and impact of vegetation on soil cohesion, location and activity of burrowing and trampling animals, frost creep, and solifluction. In order to explore the interplay between these processes across a landscape and over geologic time, we develop a pseudo-three-dimensional subsurface thermal model within the Landlab landscape evolution modeling framework, driven by an associated spatially explicit radiative surface boundary condition. We begin with the analytical solution for conduction in a medium with uniform thermal properties and progress to a numerical model that acknowledges variable material properties, water content, and phase change. At the surface we incorporate spatial and temporal variations in incoming short-wave radiation due to elevation, latitude, aspect, shading and orbital variations. Outgoing long-wave radiation is taken to depend on the surface temperature and may be modified by allowing back-radiation from the atmosphere. With these tools we target variations in regolith production and motion over the long timescales on which hillslopes evolve. We implement a basic parameterization of temperature-dependent chemical and physical weathering linked to mobile regolith generation. We incorporate multiple regolith transport processes including heave, creep, solifluction, tree throw, and animal burrowing. We incorporate material tracking to trace the chemical evolution of regolith as it moves downslope. Our intention is not to parameterize all operative processes, but to include sufficient detail to identify how the

  12. Partial nitritation of swine wastewater in view of its coupling with the anammox process

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Partial nitritation (PN) of swine wastewater was investigated in a sequencing batch reactor (SBR) using a high performance nitrifying sludge (HPNS). Characteristics of the wastewater used were low content of biodegradable organic carbon and high alkalinity-to-ammonium ratio. Process temperature was ...

  13. Simulating Sediment Transport Processes in San Francisco Bay Using Coupled Hydrodynamic, Wave, and Sediment Transport Models

    NASA Astrophysics Data System (ADS)

    Bever, A. J.; MacWilliams, M.

    2012-12-01

    Under the conceptual model of sediment transport in San Pablo Bay, a sub-embayment of San Francisco Bay, proposed by Krone (1979), sediment typically enters San Pablo Bay during large winter and spring flows and is redistributed during summer conditions through wind wave resuspension and transport by tidal currents. A detailed understanding of how the waves and tides redistribute sediment within San Francisco Bay is critical for predicting how future sea level rise and a reduction in the sediment supply to the Bay will impact existing marsh and mudflat habitat, tidal marsh restoration projects, and ongoing maintenance dredging of the navigation channels. The three-dimensional UnTRIM San Francisco Bay-Delta Model was coupled with the Simulating WAves Nearshore (SWAN) wave model and the SediMorph morphological model, to develop a three-dimensional hydrodynamic, wind wave, and sediment transport model of the San Francisco Bay and the Sacramento-San Joaquin Delta. Numerical simulations of sediment resuspension due to tidal currents and wind waves and the subsequent transport of this sediment by tidal currents are used to quantify the spatial and temporal variability of sediment fluxes on the extensive shoals in San Pablo Bay under a range of tidal and wind conditions. The results demonstrate that suspended sediment concentration and sediment fluxes within San Pablo Bay are a complex product of tides and waves interacting spatially throughout the Bay, with concentrations responding to local resuspension and sediment advection. Sediment fluxes between the San Pablo Bay shoals and the deeper channel are highest during spring tides, and are elevated for up to a week following wave events, even though the greatest influence of the wave event occurs abruptly.

  14. 3D coupled heat and mass transfer processes at the scale of sedimentary basisn

    NASA Astrophysics Data System (ADS)

    Cacace, M.; Scheck-Wenderoth, M.; Kaiser, B. O.

    2014-12-01

    We use coupled 3D simulations of fluid, heat, and transport based on a 3D structural model of a complex geological setting, the Northeast German Basin (NEGB). The geological structure of the NEGB is characterized by a relatively thick layer of Permian Zechstein salt, structured in differnet diapirs (up to 5000 m thick) and pillows locally reaching nearly the surface. Salt is thermally more conductive than other sediments, hydraulically impervious but highly solvable. Thus salt structures have first order influence on the temperature distribution, the deep flow regime and the salinity of groundawater bearing aquifers. In addition, the post-Permian sedimentary sequence is vertically subdivided into several aquifers and aquitards. The shallow Quaternary to late Tertiary freshwater aquifer is separated from the underlying Mesozoic saline aquifers by an embedded Tertiary clay enriched aquitard (Rupelian Aquitard). An important feature of this aquitard is that hydraulic connections between the upper and lower aquifers exist in areas where the Rupelian Aquitard is missing (hydrogeological windows). By means of 3D numerical simulations we explore the role of heat conduction, pressure, and density driven groundwater flow as well as fluid viscosity-related and salinity-dependent effects on the resulting flow and temperature fields. Our results suggest that the regional temperature distribution within the basin results from interactions between regional pressure forces and thermal diffusion locally enhanced by thermal conductivity contrasts between the different sedimentary rocks with the highly conductive salt. Buoyancy forces triggered by temperature-dependent fluid density variations affect only locally the internal thermal configuration. Locations, geometry, and wavelengths of convective thermal anomalies are mainly controlled by the permeability field and thickness values of the respective geological layers. Numerical results from 3D thermo-haline numerical simulations

  15. Physical processes in a coupled bay-estuary coastal system: Whitsand Bay and Plymouth Sound

    NASA Astrophysics Data System (ADS)

    Uncles, R. J.; Stephens, J. A.; Harris, C.

    2015-09-01

    Whitsand Bay and Plymouth Sound are located in the southwest of England. The Bay and Sound are separated by the ∼2-3 km-wide Rame Peninsula and connected by ∼10-20 m-deep English Channel waters. Results are presented from measurements of waves and currents, drogue tracking, surveys of salinity, temperature and turbidity during stratified and unstratified conditions, and bed sediment surveys. 2D and 3D hydrodynamic models are used to explore the generation of tidally- and wind-driven residual currents, flow separation and the formation of the Rame eddy, and the coupling between the Bay and the Sound. Tidal currents flow around the Rame Peninsula from the Sound to the Bay between approximately 3 h before to 2 h after low water and form a transport path between them that conveys lower salinity, higher turbidity waters from the Sound to the Bay. These waters are then transported into the Bay as part of the Bay-mouth limb of the Rame eddy and subsequently conveyed to the near-shore, east-going limb and re-circulated back towards Rame Head. The Simpson-Hunter stratification parameter indicates that much of the Sound and Bay are likely to stratify thermally during summer months. Temperature stratification in both is pronounced during summer and is largely determined by coastal, deeper-water stratification offshore. Small tidal stresses in the Bay are unable to move bed sediment of the observed sizes. However, the Bay and Sound are subjected to large waves that are capable of driving a substantial bed-load sediment transport. Measurements show relatively low levels of turbidity, but these respond rapidly to, and have a strong correlation with, wave height.

  16. Capturing poromechanical coupling effects of the reactive fracturing process in porous rock via a DEM-network model

    NASA Astrophysics Data System (ADS)

    Ulven, Ole Ivar; Sun, WaiChing

    2016-04-01

    Fluid transport in a porous medium has important implications for understanding natural geological processes. At a sufficiently large scale, a fluid-saturated porous medium can be regarded as a two-phase continuum, with the fluid constituent flowing in the Darcian regime. Nevertheless, a fluid mediated chemical reaction can in some cases change the permeability of the rock locally: Mineral dissolution can cause increased permeability, whereas mineral precipitation can reduce the permeability. This might trigger a complicated hydro-chemo-mechanical coupling effect that causes channeling of fluids or clogging of the system. If the fluid is injected or produced at a sufficiently high rate, the pressure might increase enough to cause the onset and propagation of fractures. Fractures in return create preferential flow paths that enhance permeability, localize fluid flow and chemical reaction, prevent build-up of pore pressure and cause anisotropy of the hydro-mechanical responses of the effective medium. This leads to a complex coupled process of solid deformation, chemical reaction and fluid transport enhanced by the fracture formation. In this work, we develop a new coupled numerical model to study the complexities of feedback among fluid pressure evolution, fracture formation and permeability changes due to a chemical process in a 2D system. We combine a discrete element model (DEM) previously used to study a volume expanding process[1, 2] with a new fluid transport model based on poroelasticity[3] and a fluid-mediated chemical reaction that changes the permeability of the medium. This provides new insights into the hydro-chemo-mechanical process of a transforming porous medium. References [1] Ulven, O. I., Storheim, H., Austrheim, H., and Malthe-Sørenssen, A. "Fracture Initiation During Volume Increasing Reactions in Rocks and Applications for CO2 Sequestration", Earth Planet. Sc. Lett. 389C, 2014a, pp. 132 - 142, doi:10.1016/j.epsl.2013.12.039. [2] Ulven, O. I

  17. Analysis of Dissociation—Recombination Processes for the CO2 Molecule with the Spin—Orbit Coupling Taken into Account

    NASA Astrophysics Data System (ADS)

    Ibraguimova, L. B.; Minaev, B. F.

    2016-03-01

    The dissociation CO2( X 1Σ) + M → CO( X 1Σ) + O(3P) + M and recombination CO( X 1Σ) + O(3P) + M → CO2( X 1Σ) + M processes are considered with the spin—orbit coupling taken into account in the ground and several excited states of the CO2 molecule. Because of the specific features of mutual position of potential energy surfaces of the CO2 molecule in the ground and several excited states and the large values of spin—orbit interaction matrix elements, which causes the quantum nonadiabatic transition of the molecule from one state to another, these processes become effectively spin-allowed and the rate constants for the nonadiabatic reactions have large values. The proposed dissociation and recombination mechanisms include reactions involving singlet—triplet crossings.

  18. On the possibility of the multiple inductively coupled plasma and helicon plasma sources for large-area processes

    SciTech Connect

    Lee, Jin-Won; Lee, Yun-Seong Chang, Hong-Young; An, Sang-Hyuk

    2014-08-15

    In this study, we attempted to determine the possibility of multiple inductively coupled plasma (ICP) and helicon plasma sources for large-area processes. Experiments were performed with the one and two coils to measure plasma and electrical parameters, and a circuit simulation was performed to measure the current at each coil in the 2-coil experiment. Based on the result, we could determine the possibility of multiple ICP sources due to a direct change of impedance due to current and saturation of impedance due to the skin-depth effect. However, a helicon plasma source is difficult to adapt to the multiple sources due to the consistent change of real impedance due to mode transition and the low uniformity of the B-field confinement. As a result, it is expected that ICP can be adapted to multiple sources for large-area processes.

  19. On the possibility of the multiple inductively coupled plasma and helicon plasma sources for large-area processes

    NASA Astrophysics Data System (ADS)

    Lee, Jin-Won; Lee, Yun-Seong; Chang, Hong-Young; An, Sang-Hyuk

    2014-08-01

    In this study, we attempted to determine the possibility of multiple inductively coupled plasma (ICP) and helicon plasma sources for large-area processes. Experiments were performed with the one and two coils to measure plasma and electrical parameters, and a circuit simulation was performed to measure the current at each coil in the 2-coil experiment. Based on the result, we could determine the possibility of multiple ICP sources due to a direct change of impedance due to current and saturation of impedance due to the skin-depth effect. However, a helicon plasma source is difficult to adapt to the multiple sources due to the consistent change of real impedance due to mode transition and the low uniformity of the B-field confinement. As a result, it is expected that ICP can be adapted to multiple sources for large-area processes.

  20. Coupled Model for Carbon Partitioning from Martensite into Austenite During the Quenching Process in Fe-C Steels

    NASA Astrophysics Data System (ADS)

    Liu, Peixing; Zhu, Bin; Wang, Yilin; Zhang, Yisheng

    2016-08-01

    In this paper, a coupled model for carbon partitioning from martensite into austenite during the quenching process in Fe-C steels is constructed where the carbon is permitted to partition while the martensite is continuously forming. A diffusion model of carbon at the `martensite/austenite interface' is created where the interface does not move during the carbon partitioning process, and the driving force for carbon partitioning originates from the chemical potential difference. The results show that the martensitic transformation and carbon partitioning affect each other, and that the cooling rate between the martensite start temperature ( M s) and room temperature has a major effect on the volume fraction of the final retained austenite. The simulation results are shown to be in good agreement with experiments.

  1. Fundamentals of planar-type inductively coupled thermal plasmas on a substrate for large-area material processing

    NASA Astrophysics Data System (ADS)

    Tial, Mai Kai Suan; Irie, Hiromitsu; Maruyama, Yuji; Tanaka, Yasunori; Uesugi, Yoshihiko; Ishijima, Tatsuo

    2016-07-01

    In this work, the fundamentals of planar-type Ar inductively coupled thermal plasmas (ICTPs) with oxygen molecular gas on a substrate have been studied. Previously, aiming at large-area material processing, we developed a planar-type ICTP torch with a rectangular quartz vessel instead of a conventional cylindrical tube. For the adoption of such planar-type ICTP to material processing, it is necessary to sustain the ICTP with molecular gases on a substrate stably and uniformly. To determine the uniformity of the ICTP formed on the substrate, spectroscopic observation was carried out at 3 mm above the substrate. Results showed that the radiation intensities of specified O atomic lines were almost uniformly detected along the surface of the substrate. This means that excited O atoms, which are important radicals for thermal plasma oxidation, are present in the planar-type ICTP uniformly on the substrate.

  2. Treatment of artificial soybean wastewater anaerobic effluent in a continuous aerobic-anaerobic coupled (CAAC) process with excess sludge reduction.

    PubMed

    Wang, Jun; Li, Xiaoxia; Fu, Weichao; Wu, Shihan; Li, Chun

    2012-12-01

    In this study, treatment of artificial soybean wastewater anaerobic effluent was studied in a continuous aerobic-anaerobic coupled (CAAC) process. The focus was on COD and nitrogen removal as well as excess sludge reduction. During the continuous operation without reflux, the COD removal efficiency was 96.5% at the optimal hydraulic retention time (HRT) 1.3 days. When HRT was shortened to 1.0 day, reflux from anaerobic zone to moving bed biofilm reactor (MBBR) was introduced. The removal efficiencies of COD and TN were 94.4% and 76.0% at the optimal reflux ratio 30%, respectively. The sludge yield coefficient of CAAC was 0.1738, the simultaneous removal of COD and nitrogen with in situ sludge reduction could be achieved in this CAAC process. The sludge reduction mechanism was discussed by soluble components variation along the water flow. PMID:23073101

  3. Carbene-catalysed reductive coupling of nitrobenzyl bromides and activated ketones or imines via single-electron-transfer process

    NASA Astrophysics Data System (ADS)

    Li, Bao-Sheng; Wang, Yuhuang; Proctor, Rupert S. J.; Zhang, Yuexia; Webster, Richard D.; Yang, Song; Song, Baoan; Chi, Yonggui Robin

    2016-09-01

    Benzyl bromides and related molecules are among the most common substrates in organic synthesis. They are typically used as electrophiles in nucleophilic substitution reactions. These molecules can also be activated via single-electron-transfer (SET) process for radical reactions. Representative recent progress includes α-carbon benzylation of ketones and aldehydes via photoredox catalysis. Here we disclose the generation of (nitro)benzyl radicals via N-heterocyclic carbene (NHC) catalysis under reductive conditions. The radical intermediates generated via NHC catalysis undergo formal 1,2-addition with ketones to eventually afford tertiary alcohol products. The overall process constitutes a formal polarity-inversion of benzyl bromide, allowing a direct coupling of two initially electrophilic carbons. Our study provides a new carbene-catalysed reaction mode that should enable unconventional transformation of (nitro)benzyl bromides under mild organocatalytic conditions.

  4. Carbene-catalysed reductive coupling of nitrobenzyl bromides and activated ketones or imines via single-electron-transfer process

    PubMed Central

    Li, Bao-Sheng; Wang, Yuhuang; Proctor, Rupert S. J.; Zhang, Yuexia; Webster, Richard D.; Yang, Song; Song, Baoan; Chi, Yonggui Robin

    2016-01-01

    Benzyl bromides and related molecules are among the most common substrates in organic synthesis. They are typically used as electrophiles in nucleophilic substitution reactions. These molecules can also be activated via single-electron-transfer (SET) process for radical reactions. Representative recent progress includes α-carbon benzylation of ketones and aldehydes via photoredox catalysis. Here we disclose the generation of (nitro)benzyl radicals via N-heterocyclic carbene (NHC) catalysis under reductive conditions. The radical intermediates generated via NHC catalysis undergo formal 1,2-addition with ketones to eventually afford tertiary alcohol products. The overall process constitutes a formal polarity-inversion of benzyl bromide, allowing a direct coupling of two initially electrophilic carbons. Our study provides a new carbene-catalysed reaction mode that should enable unconventional transformation of (nitro)benzyl bromides under mild organocatalytic conditions. PMID:27671606

  5. Health, Trust, or “Just Understood”: Explicit and Implicit Condom Decision-Making Processes Among Black, White, and Interracial Same-Sex Male Couples

    PubMed Central

    Campbell, Chadwick K.; Gómez, Anu Manchikanti; Dworkin, Shari; Wilson, Patrick A.; Grisham, Kirk; McReynolds, Jaih; Vielehr, Peter; Hoff, Colleen

    2013-01-01

    Among gay and bisexual men, primary partners are a leading source of HIV infection. Trust, intimacy, and advancements in HIV treatment may impact same-sex male couples’ decisions to engage in unprotected anal intercourse (UAI). This qualitative study explored how Black, White and interracial couples discussed, and made decisions regarding condoms. Qualitative interviews were conducted with 48 same-sex male couples in the New York and San Francisco metropolitan areas. Stratified purposive sampling was used to include Black (n = 16), White (n = 17), and interracial (Black-White) (n = 15) couples. Twenty-six couples were concordant HIV-negative and 22 were HIV-discordant. Interviews were recorded, transcribed, coded, and analyzed using a grounded theory approach. Some couples described explicit processes, which involved active discussion, while others described implicit processes, where condom-use decisions occurred without any explicit discussion. These processes also differed by race and HIV status. Black couples tended to report condom-use as “just understood.” White, HIV-discordant couples decided not to use condoms, with some identifying the HIV-positive partner’s suppressed viral load and high CD4 count as deciding factors. After an unplanned episode of UAI, White, HIV-negative couples tended to discontinue condom use while Black HIV-negative couples decided to revert to using condoms. HIV prevention efforts focused on same-sex, male couples must consider the explicit/implicit nature of condom decision-making processes. Understanding differences in these processes and considering relationship dynamics, across race and HIV status, can promote the development of innovative couple–level, HIV prevention interventions. PMID:23912774

  6. Bioelectricity Generation and Bioremediation of an Azo-Dye in a Microbial Fuel Cell Coupled Activated Sludge Process

    PubMed Central

    Khan, Mohammad Danish; Abdulateif, Huda; Ismail, Iqbal M.; Sabir, Suhail; Khan, Mohammad Zain

    2015-01-01

    Simultaneous bioelectricity generation and dye degradation was achieved in the present study by using a combined anaerobic-aerobic process. The anaerobic system was a typical single chambered microbial fuel cell (SMFC) which utilizes acid navy blue r (ANB) dye along with glucose as growth substrate to generate electricity. Four different concentrations of ANB (50, 100, 200 and 400 ppm) were tested in the SMFC and the degradation products were further treated in an activated sludge post treatment process. The dye decolorization followed pseudo first order kinetics while the negative values of the thermodynamic parameter ∆G (change in Gibbs free energy) shows that the reaction proceeds with a net decrease in the free energy of the system. The coulombic efficiency (CE) and power density (PD) attained peak values at 10.36% and 2,236 mW/m2 respectively for 200 ppm of ANB. A further increase in ANB concentrations results in lowering of cell potential (and PD) values owing to microbial inhibition at higher concentrations of toxic substrates. Cyclic voltammetry studies revealed a perfect redox reaction was taking place in the SMFC. The pH, temperature and conductivity remain 7.5–8.0, 27(±2°C and 10.6–18.2 mS/cm throughout the operation. The biodegradation pathway was studied by the gas chromatography coupled with mass spectroscopy technique, suggested the preferential cleavage of the azo bond as the initial step resulting in to aromatic amines. Thus, a combined anaerobic-aerobic process using SMFC coupled with activated sludge process can be a viable option for effective degradation of complex dye substrates along with energy (bioelectricity) recovery. PMID:26496083

  7. Bioelectricity Generation and Bioremediation of an Azo-Dye in a Microbial Fuel Cell Coupled Activated Sludge Process.

    PubMed

    Khan, Mohammad Danish; Abdulateif, Huda; Ismail, Iqbal M; Sabir, Suhail; Khan, Mohammad Zain

    2015-01-01

    Simultaneous bioelectricity generation and dye degradation was achieved in the present study by using a combined anaerobic-aerobic process. The anaerobic system was a typical single chambered microbial fuel cell (SMFC) which utilizes acid navy blue r (ANB) dye along with glucose as growth substrate to generate electricity. Four different concentrations of ANB (50, 100, 200 and 400 ppm) were tested in the SMFC and the degradation products were further treated in an activated sludge post treatment process. The dye decolorization followed pseudo first order kinetics while the negative values of the thermodynamic parameter ∆G (change in Gibbs free energy) shows that the reaction proceeds with a net decrease in the free energy of the system. The coulombic efficiency (CE) and power density (PD) attained peak values at 10.36% and 2,236 mW/m2 respectively for 200 ppm of ANB. A further increase in ANB concentrations results in lowering of cell potential (and PD) values owing to microbial inhibition at higher concentrations of toxic substrates. Cyclic voltammetry studies revealed a perfect redox reaction was taking place in the SMFC. The pH, temperature and conductivity remain 7.5-8.0, 27(±2°C and 10.6-18.2 mS/cm throughout the operation. The biodegradation pathway was studied by the gas chromatography coupled with mass spectroscopy technique, suggested the preferential cleavage of the azo bond as the initial step resulting in to aromatic amines. Thus, a combined anaerobic-aerobic process using SMFC coupled with activated sludge process can be a viable option for effective degradation of complex dye substrates along with energy (bioelectricity) recovery.

  8. Bioelectricity Generation and Bioremediation of an Azo-Dye in a Microbial Fuel Cell Coupled Activated Sludge Process.

    PubMed

    Khan, Mohammad Danish; Abdulateif, Huda; Ismail, Iqbal M; Sabir, Suhail; Khan, Mohammad Zain

    2015-01-01

    Simultaneous bioelectricity generation and dye degradation was achieved in the present study by using a combined anaerobic-aerobic process. The anaerobic system was a typical single chambered microbial fuel cell (SMFC) which utilizes acid navy blue r (ANB) dye along with glucose as growth substrate to generate electricity. Four different concentrations of ANB (50, 100, 200 and 400 ppm) were tested in the SMFC and the degradation products were further treated in an activated sludge post treatment process. The dye decolorization followed pseudo first order kinetics while the negative values of the thermodynamic parameter ∆G (change in Gibbs free energy) shows that the reaction proceeds with a net decrease in the free energy of the system. The coulombic efficiency (CE) and power density (PD) attained peak values at 10.36% and 2,236 mW/m2 respectively for 200 ppm of ANB. A further increase in ANB concentrations results in lowering of cell potential (and PD) values owing to microbial inhibition at higher concentrations of toxic substrates. Cyclic voltammetry studies revealed a perfect redox reaction was taking place in the SMFC. The pH, temperature and conductivity remain 7.5-8.0, 27(±2°C and 10.6-18.2 mS/cm throughout the operation. The biodegradation pathway was studied by the gas chromatography coupled with mass spectroscopy technique, suggested the preferential cleavage of the azo bond as the initial step resulting in to aromatic amines. Thus, a combined anaerobic-aerobic process using SMFC coupled with activated sludge process can be a viable option for effective degradation of complex dye substrates along with energy (bioelectricity) recovery. PMID:26496083

  9. [Analysis of changes in minerals contents during cider fermentation process by inductively coupled plasma mass spectrometry].

    PubMed

    Ye, Meng-qi; Yue, Tian-li; Gao, Zhen-peng; Yuan, Ya-hong; Nie, Gang

    2015-01-01

    The changes in mineral elements during cider fermentation process were determined using ICP-MS. The results showed that the main minerals in the fermentation liquor included K, Na, Ca, Mg, Fe, Mn, Zn, Cu, Sr and B. The content of K was the highest in both the apple juice and the cider, being 1 853. 83 and 1 654. 38 mg . L-1 respectively. The content of minerals was in dynamic changes along with the fermentation process. As a whole, during 72-120 h and 144-216 h, most of the minerals contents underwent great fluctuation. Especially when fermented for 192 h, the content of most of the minerals reached peak value or valley value. The content of Fe and Zn achieved their peak value, while the content of K, Na, Ca, Mg, Mn and B achieved valley value. But during the following 24 h, the content of minerals underwent a sharp reversal. After fermentation, the content of K, Mg, Cu, Zn and B decreased significantly, while the content of Na, Ca, Mn, Fe and Sr did not change significantly. The correlational analysis was conducted to evaluate the correlation between the mineral elements, and the result showed that the correlation between Ca and Mn was the most significant, with the correlation index reaching 0. 924. The information of this study will supply sufficient data for the fermentation process control and quality improvement of cider.

  10. Coupling biofiltration process and electrocoagulation using magnesium-based anode for the treatment of landfill leachate.

    PubMed

    Oumar, Dia; Patrick, Drogui; Gerardo, Buelna; Rino, Dubé; Ihsen, Ben Salah

    2016-10-01

    In this research paper, a combination of biofiltration (BF) and electrocoagulation (EC) processes was used for the treatment of sanitary landfill leachate. Landfill leachate is often characterized by the presence of refractory organic compounds (BOD/COD < 0.13). BF process was used as secondary treatment to remove effectively ammonia nitrogen (N-NH4 removal of 94%), BOD (94% removed), turbidity (95% removed) and phosphorus (more than 98% removed). Subsequently, EC process using magnesium-based anode was used as tertiary treatment. The best performances of COD and color removal from landfill leachate were obtained by applying a current density of 10 mA/cm(2) through 30 min of treatment. The COD removal reached 53%, whereas 85% of color removal was recorded. It has been proved that the alkalinity had a negative effect on COD removal during EC treatment. COD removal efficiencies of 52%, 41% and 27% were recorded in the presence of 1.0, 2.0 and 3.0 g/L of sodium bicarbonate (NaHCO3), respectively. Hydroxide ions produced at the cathode electrode reacted with the bicarbonate ions to form carbonates. The presence of bicarbonates in solution hampered the increase in pH, so that the precipitation of magnesium hydroxides could not take place to effectively remove organic pollutants. PMID:27420170

  11. Process Analysis of Lignite Circulating Fluidized Bed Boiler Coupled with Pyrolysis Topping

    NASA Astrophysics Data System (ADS)

    Wang, Baoqun; Dong, Li; Wang, Yin; Matsuzawa, Y.; Xu, Guangwen

    We developed a comprehensive process model in ASPEN Plus to simulate the energy and mass balances of a lignite-fueled atmospheric circulating fluidized bed (CFB) boiler integrated with coal predrying and pyrolysis topping. In this model, it is assumed that the heat from exhausted flue gas was employed for coal predrying, and the sensible heat derived from circulated bed material was used for the pyrolysis topping (endothermic process). The simulation was conducted with respectto the Yunnan Kaiyuan CFB boiler, and two representative lignite coals from Xiao Long Tan (XLT) and Xin Shao (XS) were considered. The result shows that the predrying of coal with the sensible heat of above 363 K from flue gas, the amount of coal consumed in the boiler can be reduced by 3.5% and 5.3% for XLT lignite and XS lignite, respectively. It was also found that integration of pyrolysis topping with the boiler increased the coal consumption of the boiler, and the extent of consumption-increase varies with the yields of tar and gas in the pyrolysis topping process. For agas yield of 5.2% and a tar yield of 5-6%, the consumption of XS lignite increased by about 20% comparing to that in the case without topping.

  12. Coupling biofiltration process and electrocoagulation using magnesium-based anode for the treatment of landfill leachate.

    PubMed

    Oumar, Dia; Patrick, Drogui; Gerardo, Buelna; Rino, Dubé; Ihsen, Ben Salah

    2016-10-01

    In this research paper, a combination of biofiltration (BF) and electrocoagulation (EC) processes was used for the treatment of sanitary landfill leachate. Landfill leachate is often characterized by the presence of refractory organic compounds (BOD/COD < 0.13). BF process was used as secondary treatment to remove effectively ammonia nitrogen (N-NH4 removal of 94%), BOD (94% removed), turbidity (95% removed) and phosphorus (more than 98% removed). Subsequently, EC process using magnesium-based anode was used as tertiary treatment. The best performances of COD and color removal from landfill leachate were obtained by applying a current density of 10 mA/cm(2) through 30 min of treatment. The COD removal reached 53%, whereas 85% of color removal was recorded. It has been proved that the alkalinity had a negative effect on COD removal during EC treatment. COD removal efficiencies of 52%, 41% and 27% were recorded in the presence of 1.0, 2.0 and 3.0 g/L of sodium bicarbonate (NaHCO3), respectively. Hydroxide ions produced at the cathode electrode reacted with the bicarbonate ions to form carbonates. The presence of bicarbonates in solution hampered the increase in pH, so that the precipitation of magnesium hydroxides could not take place to effectively remove organic pollutants.

  13. Signatures of Förster and Dexter transfer processes in coupled nanostructures for linear and two-dimensional coherent optical spectroscopy

    NASA Astrophysics Data System (ADS)

    Specht, Judith F.; Richter, Marten

    2015-03-01

    In this manuscript, we study the impact of the two Coulomb induced resonance energy transfer processes, Förster and Dexter coupling, on the spectral signatures obtained by double quantum coherence spectroscopy. We show that the specific coupling characteristics allow us to identify the underlying excitation transfer mechanism by means of specific signatures in coherent spectroscopy. Therefore, we control the microscopic calculated coupling strength of spin preserving and spin flipping Förster transfer processes by varying the mutual orientation of the two quantum emitters. The calculated spectra reveal the optical selection rules altered by Förster and Dexter coupling between two semiconductor quantum dots. We show that Dexter coupling between bright and dark two-exciton states occurs.

  14. Investigation of Coupled Processes and Impact of High Temperature Limits in Argillite Rock

    SciTech Connect

    Zheng, Liange; Rutqvist, Jonny; Kim, Kunhwi; Houseworth, Jim

    2015-07-01

    The focus of research within the UFD Campaign is on repository-induced interactions that may affect the key safety characteristics of an argillaceous rock. These include thermal-hydrological-mechanical-chemical (THMC) process interactions that occur as a result of repository construction and waste emplacement. Some of the key questions addressed in this report include the development of fracturing in the excavation damaged zone (EDZ) and THMC effects on the near-field argillaceous rock and buffer minerals and petrophysical characteristics, particularly the impacts of induced temperature rise caused by waste heat.

  15. Incorporating 3-D Subsurface Hydrologic Processes within the Community Land Surface Model (CLM): Coupling PFLOTRAN and CLM

    NASA Astrophysics Data System (ADS)

    Bisht, G.; Mills, R. T.; Hoffman, F. M.; Thornton, P. E.; Lichtner, P. C.; Hammond, G. E.

    2011-12-01

    Numerous studies have shown a positive soil moisture-rainfall feedback through observational data, as well as, modeling studies. Spatial variability of topography, soils, and vegetation play a significant role in determining the response of land surface states (soil moisture) and fluxes (runoff, evapotranspirtiaon); but their explicit accounting within Land Surface Models (LSMs) is computa- tionally expensive. Additionally, anthropogenic climate change is altering the hydrologic cycle at global and regional scales. Characterizing the sensitivity of groundwater recharge is critical for understanding the effects of climate change on water resources. In order to explicitly represent lateral redistribution of soil moisture and unified treatment of the unsaturated-saturated zone in the subsurface within the CLM, we propose coupling PFLOTRAN and CLM. PFLOTRAN is a parallel multiphase-multicomponent subsurface reactive flow and transport code for modeling subsurface processes and has been devel- oped under a DOE SciDAC-2 project. PFLOTRAN is written in Fortran 90 using a modular, object-oriented approach. PFLOTRAN utilizes fully implicit time-stepping and is built on top of the Portable, Extensible Toolkit for Scientific Computation (PETSc). The PFLOTRAN model is capable of simulating fluid flow through porous media with fluid phases of air, water, and supercritical CO2. PFLOTRAN has been successfully employed on up to 131,072 cores on Jaguar, the massively parallel Cray XT4/XT5 at ORNL, for problems composed of up to 2 billion degrees of freedom. In this work, we will present a strategy of coupling the two models, CLM and PFLOTRAN, along with a few preliminary results obtained from the coupled model.

  16. Constraints on the axion-electron coupling for solar axions produced by a Compton process and bremsstrahlung

    SciTech Connect

    Derbin, A. V.; Kayunov, A. S.; Muratova, V. V.; Semenov, D. A.; Unzhakov, E. V.

    2011-01-15

    The search for solar axions produced by Compton ({gamma}+e{sup -}{yields}e{sup -}+A) and bremsstrahlunglike (e{sup -}+Z{yields}Z+e{sup -}+A) processes has been performed. The axion flux in both cases depends on the axion-electron coupling constant. The resonant excitation of the low-lying nuclear level of {sup 169}Tm was looked for: A+{sup 169}Tm{yields}{sup 169}Tm{sup *}{yields}{sup 169}Tm+{gamma} (8.41 keV). The Si(Li) detector and {sup 169}Tm target installed inside the low-background setup were used to detect 8.41 keV {gamma} rays. As a result, a new model-independent restriction on the axion-electron and the axion-nucleon couplings was obtained: g{sub Ae}x|g{sub AN}{sup 0}+g{sub AN}{sup 3}|{<=}2.1x10{sup -14}. In the model of the hadronic axion this restriction corresponds to the upper limit on the axion-electron coupling and on the axion mass g{sub Ae}xm{sub A{<=}}3.1x10{sup -7} eV (90% C.L.). The limits on the axion mass are m{sub A{<=}}105 eV and m{sub A{<=}}1.3 keV for the Dine-Fischler-Srednicki-Zhitnitskii- and Kim-Shifman-Vainstein-Zakharov-axion models, correspondingly (90% C.L.).

  17. Bio oil synthesis by coupling biological biomass pretreatment and catalytic hydroliquefaction process.

    PubMed

    Hamieh, S; Beauchet, R; Lemee, L; Toufaily, J; Koubaissy, B; Hamieh, T; Pouilloux, Y; Pinard, L

    2014-03-01

    The bio-oil synthesis from a mixture of wastes (7wt.% straw, 38wt.% wood, and 45wt.% grass) was carried out by direct liquefaction reaction using Raney Nickel as catalyst and tetralin as solvent. The green wastes were biologically degraded during 3 months. Longer the destructuration time; higher the yield into oil is. Biological pretreatment of green wastes promotes the liquefaction process. Among the components of degraded biomass, Humin, the major fraction (60-80wt.%) that was favored by the biological treatment, yields to a bio oil extremely energetic with a HHV close to biopetroleum (40MJ kg(-1)), contrariwise, Fulvic acids (2-12wt.%), the minor fraction is refractory to liquefaction reaction.

  18. A high-order language for a system of closely coupled processing elements

    NASA Technical Reports Server (NTRS)

    Feyock, S.; Collins, W. R.

    1986-01-01

    The research reported in this paper was occasioned by the requirements on part of the Real-Time Digital Simulator (RTDS) project under way at NASA Lewis Research Center. The RTDS simulation scheme employs a network of CPUs running lock-step cycles in the parallel computations of jet airplane simulations. Their need for a high order language (HOL) that would allow non-experts to write simulation applications and that could be implemented on a possibly varying network can best be fulfilled by using the programming language Ada. We describe how the simulation problems can be modeled in Ada, how to map a single, multi-processing Ada program into code for individual processors, regardless of network reconfiguration, and why some Ada language features are particulary well-suited to network simulations.

  19. Extending the Range of Organic Compounds that Can Be Destroyed Using the Process of Adsorption Coupled with Electrochemical Regeneration - 13054

    SciTech Connect

    Brown, Nigel; Lodge, Mike; Hilton, Linda; Adams, Alex; Vaudey, Claire-Emilie; Toulemonde, Valerie

    2013-07-01

    The nuclear industry is not a provider of oils and solvents but uses them in motors, equipment and even in chemical processes to extract valuable products. Currently, for old and contaminated oils and solvents, techniques still exist, such as incineration, but not all the oils and solvents are compatible with this technique because the activities of some components inside the oils are too high to be accepted at the incineration facility. For these oils, an alternative technique needs to be found for treatment. A process developed for water treatment using a technique of adsorption coupled with electrochemical regeneration has been investigated to assess its capability to treat these organic wastes. One of the strengths of the process is its flexibility and adaptation to different compositions of oils. This point is important because, in the AREVA case, there are a lot of small volumes of old oils which need to be re-characterized. It takes time and money to do it especially when oils are contaminated; this is one reason why the technique is interesting to investigate. Tests have been performed with different oils coming from different sites to test the feasibility. Results demonstrate the destruction of a range of organics with regeneration energy requirements of 13.4 - 68.7 kWh/l and offer confidence for the future potential of the process. (authors)

  20. Modeling Coupled Thermal-Hydrological-Chemical Processes in the Unsaturated Fractured Rock of Yucca Mountain, Nevada: Heterogeneity and Seepage

    SciTech Connect

    S. Mukhopadhyay; E.L. Donnenthal; N. Spycher

    2006-07-17

    An understanding of processes affecting seepage into emplacement tunnels is needed for correctly predicting the performance of underground radioactive waste repositories. It has been previously estimated that the capillary and vaporization barriers in the unsaturated fractured rock of Yucca Mountain are enough to prevent seepage under present day infiltration conditions. It has also been thought that a substantially elevated infiltration flux will be required to cause seepage after the thermal period is over. While coupled thermal-hydrological-chemical (THC) changes in Yucca Mountain host rock due to repository heating has been previously investigated, those THC models did not incorporate elements of the seepage model. In this paper, we combine the THC processes in unsaturated fractured rock with the processes affecting seepage. We observe that the THC processes alter the hydrological properties of the fractured rock through mineral precipitation and dissolution. We show that such alteration in the hydrological properties of the rock often leads to local flow channeling. We conclude that such local flow channeling may result in seepage under certain conditions, even with nonelevated infiltration fluxes.

  1. Multiparameter Estimation in Voltammetry When an Electron Transfer Process Is Coupled to a Chemical Reaction.

    PubMed

    Simonov, Alexandr N; Morris, Graham P; Mashkina, Elena; Bethwaite, Blair; Gillow, Kathryn; Baker, Ruth E; Gavaghan, David J; Bond, Alan M

    2016-05-01

    Estimation of thermodynamic and kinetic parameters in electrochemical studies is usually undertaken via comparison of the experimental results with theory based on a model that mimics the experiment. The present study examines the credibility of transient d.c. and a.c. voltammetric theory-experiment comparisons for recovery of the parameters needed to model the ubiquitous mechanism when an electron transfer (E) reaction is followed by a chemical (C) step in the EC process ([Formula: see text]). The data analysis has been undertaken using optimization methods facilitated in some cases by grid computing. These techniques have been applied to the simulated (5% noise added) and experimental (reduction of trans-stilbene) voltammograms to assess the capabilities of parameter recovery of E(0) (reversible potential for the E step), k(0) (heterogeneous electron transfer rate constant at E(0)), α (charge transfer coefficient for the E step), and k(f) and k(b) (forward and backward rate constants for the C step) under different kinetic regimes. The advantages provided by the use of a.c. instead of d.c. voltammetry and data optimization methods over heuristic approaches to "experiment"-theory comparisons are discussed, as are the limitations in the efficient recovery of a unique set of parameters for the EC mechanism. In the particular experimental case examined herein, results for the protonation of the electrochemically generated stilbene dianion demonstrate that, notwithstanding significant advances in experiment and theory of voltammetric analysis, reliable recovery of the parameters for the EC mechanism with a fast chemical process remains a stiff problem. PMID:27041344

  2. Multiparameter Estimation in Voltammetry When an Electron Transfer Process Is Coupled to a Chemical Reaction.

    PubMed

    Simonov, Alexandr N; Morris, Graham P; Mashkina, Elena; Bethwaite, Blair; Gillow, Kathryn; Baker, Ruth E; Gavaghan, David J; Bond, Alan M

    2016-05-01

    Estimation of thermodynamic and kinetic parameters in electrochemical studies is usually undertaken via comparison of the experimental results with theory based on a model that mimics the experiment. The present study examines the credibility of transient d.c. and a.c. voltammetric theory-experiment comparisons for recovery of the parameters needed to model the ubiquitous mechanism when an electron transfer (E) reaction is followed by a chemical (C) step in the EC process ([Formula: see text]). The data analysis has been undertaken using optimization methods facilitated in some cases by grid computing. These techniques have been applied to the simulated (5% noise added) and experimental (reduction of trans-stilbene) voltammograms to assess the capabilities of parameter recovery of E(0) (reversible potential for the E step), k(0) (heterogeneous electron transfer rate constant at E(0)), α (charge transfer coefficient for the E step), and k(f) and k(b) (forward and backward rate constants for the C step) under different kinetic regimes. The advantages provided by the use of a.c. instead of d.c. voltammetry and data optimization methods over heuristic approaches to "experiment"-theory comparisons are discussed, as are the limitations in the efficient recovery of a unique set of parameters for the EC mechanism. In the particular experimental case examined herein, results for the protonation of the electrochemically generated stilbene dianion demonstrate that, notwithstanding significant advances in experiment and theory of voltammetric analysis, reliable recovery of the parameters for the EC mechanism with a fast chemical process remains a stiff problem.

  3. [Rapid Start-up of Simultaneous Nitrification and Denitrification Coupled Phosphorus Removal Process and Its Performing Characteristics].

    PubMed

    Leng, Lu; Xin, Xin; Lu, Hang; Tang, Ya-nan; Wan, Li-hua; Guo, Jun-yuan; Cheng, Qing-feng

    2015-11-01

    In this study, simultaneous nitrification and denitrification (SND) coupled Phosphorus removal process through gradually decreasing DO concentration was investigated by treating wastewater with a low COD/TN ratio (C/N = 3 : 1-4: 1) in a sequencing batch reactor (SBR) inoculated with aerobic granular sludge (AGS). Successful SND coupled Phosphorus phenomenon occurred after 20d at the DO concentration of 0.50-1.0 mg x L(-1). In the following 40 days, the average removal rates of COD, NH4(+) -N, TN and TP were 84.84% , 93.51%, 77.06% and 85.69%, and the NO3(-) -N and NO2(-) -N average accumulations in the effluent were only 4.01 mg x L(-1) and 3.17 mg x L(-1), respectively. The AGS had complete forms and good settling performances, and the sludge volume index (SVI) was about 55.22 mL x g(-1) at the end of starting-up stage. The results of different nitrogen sources showed that the removal rate of TN was in the order of NH4(+) -N > NO2(-) -N > NO3(-) -N, and the removal rate of TP was in the order of NO3(-) -N > NO2(-) -N > NH4(+) -N. The nitrogen and phosphorus removal of wastewater were mainly realized by simultaneous nitrification and denitrification and denitrifying phosphorus removal, respectively.

  4. [Rapid Start-up of Simultaneous Nitrification and Denitrification Coupled Phosphorus Removal Process and Its Performing Characteristics].

    PubMed

    Leng, Lu; Xin, Xin; Lu, Hang; Tang, Ya-nan; Wan, Li-hua; Guo, Jun-yuan; Cheng, Qing-feng

    2015-11-01

    In this study, simultaneous nitrification and denitrification (SND) coupled Phosphorus removal process through gradually decreasing DO concentration was investigated by treating wastewater with a low COD/TN ratio (C/N = 3 : 1-4: 1) in a sequencing batch reactor (SBR) inoculated with aerobic granular sludge (AGS). Successful SND coupled Phosphorus phenomenon occurred after 20d at the DO concentration of 0.50-1.0 mg x L(-1). In the following 40 days, the average removal rates of COD, NH4(+) -N, TN and TP were 84.84% , 93.51%, 77.06% and 85.69%, and the NO3(-) -N and NO2(-) -N average accumulations in the effluent were only 4.01 mg x L(-1) and 3.17 mg x L(-1), respectively. The AGS had complete forms and good settling performances, and the sludge volume index (SVI) was about 55.22 mL x g(-1) at the end of starting-up stage. The results of different nitrogen sources showed that the removal rate of TN was in the order of NH4(+) -N > NO2(-) -N > NO3(-) -N, and the removal rate of TP was in the order of NO3(-) -N > NO2(-) -N > NH4(+) -N. The nitrogen and phosphorus removal of wastewater were mainly realized by simultaneous nitrification and denitrification and denitrifying phosphorus removal, respectively. PMID:26911007

  5. Geophysical Monitoring of Coupled Microbial and Geochemical Processes During Stimulated Subsurface Bioremediation

    SciTech Connect

    Williams, Kenneth H.; Kemna, Andreas; Wilkins, Michael J.; Druhan, Jennifer L.; Arntzen, Evan V.; N'Guessan, A. Lucie; Long, Philip E.; Hubbard, Susan S.; Banfield, Jillian F.

    2009-08-05

    Understanding how microorganisms alter their physical and chemical environment during bioremediation is hindered by our inability to resolve subsurface microbial activity with high spatial resolution. Here we demonstrate the use of a minimally invasive geophysical technique to monitor stimulated microbial activity during acetate amendment in an aquifer near Rifle, Colorado. During electrical induced polarization (IP) measurements, spatiotemporal variations in the phase response between imposed electric current and the resultant electric field correlated with changes in groundwater geochemistry accompanying stimulated iron and sulfate reduction and sulfide mineral precipitation. The magnitude of the phase response varied with measurement frequency (0.125 and 1 Hz) andwasdependent upon the dominant metabolic process. The spectral effect was corroborated using a biostimulated column experiment containing Rifle sediments and groundwater. Fluids and sediments recovered from regions exhibiting an anomalous phase response were enriched in Fe(II), dissolved sulfide, and cell-associated FeS nanoparticles. The accumulation of mineral precipitates and electroactive ions altered the ability of pore fluids to conduct electrical charge, accounting for the anomalous IP response and revealing the usefulness of multifrequency IP measurements for monitoring mineralogical and geochemical changes accompanying stimulated subsurface bioremediation.

  6. Sequential reductive and oxidative biodegradation of chloroethenes stimulated in a coupled bioelectro-process.

    PubMed

    Lohner, Svenja T; Becker, Dirk; Mangold, Klaus-Michael; Tiehm, Andreas

    2011-08-01

    This article for the first time demonstrates successful application of electrochemical processes to stimulate sequential reductive/oxidative microbial degradation of perchloroethene (PCE) in mineral medium and in contaminated groundwater. In a flow-through column system, hydrogen generation at the cathode supported reductive dechlorination of PCE to cis-dichloroethene (cDCE), vinyl chloride (VC), and ethene (ETH). Electrolytically generated oxygen at the anode allowed subsequent oxidative degradation of the lower chlorinated metabolites. Aerobic cometabolic degradation of cDCE proved to be the bottleneck for complete metabolite elimination. Total removal of chloroethenes was demonstrated for a PCE load of approximately 1.5 μmol/d. In mineral medium, long-term operation with stainless steel electrodes was demonstrated for more than 300 days. In contaminated groundwater, corrosion of the stainless steel anode occurred, whereas DSA (dimensionally stable anodes) proved to be stable. Precipitation of calcareous deposits was observed at the cathode, resulting in a higher voltage demand and reduced dechlorination activity. With DSA and groundwater from a contaminated site, complete degradation of chloroethenes in groundwater was obtained for two months thus demonstrating the feasibility of the sequential bioelectro-approach for field application.

  7. Processes affecting remanence in oxy-exsolved titanomagnetite: the role of pseudo-single domain grains and interaction coupling

    NASA Astrophysics Data System (ADS)

    Church, N. S.; Kasama, T.; Dunin-Borkowski, R.; Harrison, R. J.

    2011-12-01

    While single-domain and multidomain remanence are mature theories and are well supported by experiment, natural mineral samples may be influenced by processes that are not incorporated in these models. Particles exhibiting pseudo-single domain (PSD) behavior are frequently inferred using measurements such as Day et al. plots and first-order reversal curve diagrams of igneous and sedimentary rocks containing magnetite or greigite, yet an analogous model for PSD remanence is lacking, limiting the use of such samples as paleomagnetic recorders as well as quantitative characterisation of the magnetic grains. The role of interactions-magnetostatic or exchange-is similarly poorly understood in all but the simplest systems. This study presents direct observations of remanence states in mineral intergrowths which will be used to discuss the nature of the PSD state and systems with interacting particles and phases: questions of relevance both to paleomagnetists and the wider physics community. This study applies electron holography to synthetic titanomagnetite samples that reproduce grains that have undergone high-temperature oxidation, commonly observed in igneous rocks. The oxy-exsolved samples are dominated by submicron titanomagnetite grains intergrown with lamellae of titanohematite, which may be either paramagnetic, permitting the study of PSD behavior and magnetostatic interactions, or antiferromagnetic or ferrimagnetic, where exchange coupling can be a significant influence. Holography of magnetite and paramagnetic titanohematite shows that the PSD state can vary widely as a function of the applied field and the geometry of phases, including uniform magnetization and vortex states predicted by micromagnetic simulations. Particles that are uniformly magnetized may show strong magnetostatic interactions and can show a variety of switching mechanisms, including non-uniform rotation and domain walls spanning large regions of interacting particles. These observations

  8. Smart Frameworks and Self-Describing Models: Model Metadata for Automated Coupling of Hydrologic Process Components (Invited)

    NASA Astrophysics Data System (ADS)

    Peckham, S. D.

    2013-12-01

    Model coupling frameworks like CSDMS (Community Surface Dynamics Modeling System) and ESMF (Earth System Modeling Framework) have developed mechanisms that allow heterogeneous sets of process models to be assembled in a plug-and-play manner to create composite "system models". These mechanisms facilitate code reuse, but must simultaneously satisfy many different design criteria. They must be able to mediate or compensate for differences between the process models, such as their different programming languages, computational grids, time-stepping schemes, variable names and variable units. However, they must achieve this interoperability in a way that: (1) is noninvasive, requiring only relatively small and isolated changes to the original source code, (2) does not significantly reduce performance, (3) is not time-consuming or confusing for a model developer to implement, (4) can very easily be updated to accommodate new versions of a given process model and (5) does not shift the burden of providing model interoperability to the model developers, e.g. by requiring them to provide their output in specific forms that meet the input requirements of other models. In tackling these design challenges, model framework developers have learned that the best solution is to provide each model with a simple, standardized interface, i.e. a set of standardized functions that make the model: (1) fully-controllable by a caller (e.g. a model framework) and (2) self-describing. Model control functions are separate functions that allow a caller to initialize the model, advance the model's state variables in time and finalize the model. Model description functions allow a caller to retrieve detailed information on the model's input and output variables, its computational grid and its timestepping scheme. If the caller is a modeling framework, it can compare the answers to these queries with similar answers from other process models in a collection and then automatically call framework

  9. Advanced oxidation processes coupled with electrocoagulation for the exhaustive abatement of Cr-EDTA.

    PubMed

    Durante, Christian; Cuscov, Marco; Isse, Abdirisak Ahmed; Sandonà, Giancarlo; Gennaro, Armando

    2011-02-01

    Using Cr-EDTA as a model system, a two-step method has been investigated for the abatement of persistent chromium complexes in water. The treatment consists of an oxidative decomposition of the organic ligands by means of ozonization or electrochemical oxidation at a boron doped diamond (BDD) electrode, followed by removal of the metal via electrochemical coagulation. In the designed synthetic waste, EDTA has been used both as a chelating agent and as a mimic of the organic content of a typical wastewater provided by a purification leather plant. A crucial point evaluated is the influence of the oxidative pretreatment on the chemical modification of the synthetic waste and hence on the electrocoagulation efficacy. Because of the great stability of Cr complexes, such as Cr-EDTA, the classical coagulation methods, based on ligand exchange between Cr(III) and Fe(II) or Fe(III), are ineffective toward Cr abatement in the presence of organic substances. On the contrary, when advanced oxidation processes (AOPs), such as ozonization or electrooxidation at a BDD anode are applied in series with electrocoagulation (EC), complete abatement of the recalcitrant Cr fraction can be achieved. ECs have been carried out by using Fe sacrificial anodes, with alternating polarization and complete Cr abatement (over 99%) has been obtained with modest charge consumption. It has been found that Cr(III) is first oxidized to Cr(VI) in the AOP preceding EC. Then, during EC, Cr(VI) is mainly reduced back to Cr(III) by electrogenerated Fe(II). Thus, Cr is mainly eliminated as Cr(III). However, a small fraction of Cr(VI) goes with the precipitate as confirmed by XPS analysis of the sludge. PMID:21255817

  10. Coupled Hydrological and Geochemical Processes Governing the Fate and Transport of Radionuclides and Toxic Metals in the Hanford Vadose Zone

    SciTech Connect

    Mayes, M.A.; Jardine, P.M.; Fendorf, S.E.; Pace, M.N.; Yin, X.; Mehlhorn, T.L.; Zachara, J.M.

    2003-03-27

    At the D.O.E. Hanford Reservation, accelerated migration of radionuclides has been observed in the vadose zone underlying the tank farms. Our goal is to provide an improved understanding and predictive capability of the coupled hydrogeochemical mechanisms responsible for observed migration. Our approach is to perform a suite of experiments ranging from novel surface interrogation techniques (e.g., XAS) to miscible displacement experiments on disturbed and undisturbed sediments from the Hanford, Plio-Pleistocene and Ringold formations. Results indicate during unsaturated conditions hydrologic processes governing transport are a strong function of sediment layering in the Hanford and Ringold formations. The transport of radionuclides and toxic metals (U, Cr(VI), Cs, Sr and Co) is influenced by reactive geochemical nonequilibrium, sedimentary mineralogy and solution chemistry. This research will provide new insights into how physical and mineralogical heterogeneities (e.g. stratification, pore regime connectivity, mineral composition along flowpaths) influence contaminant retardation and degree of geochemical nonequilibrium during transport.

  11. The PERC{trademark} process: Existing and potential applications for induction coupled plasma technology in hazardous and radioactive waste treatment

    SciTech Connect

    Blutke, A.S.; Vavruska, J.S.; Serino, J.F.

    1996-12-31

    Plasma Technology, Inc. (PTI), a Santa Fe, New Mexico corporation has developed the Plasma Energy Recycle and Conversion (PERC){trademark} treatment process as a safe and environmentally clean alternative to conventional thermal destruction technologies. The PERC{trademark} treatment process uses as its heat source an advanced Induction Coupled Plasma (ICP) torch connected to a reaction chamber system with an additional emission control system. For example, organic-based gas, liquid, slurry, and/or solid waste streams can be converted into usable or even salable products while residual emissions are reduced to an absolute minimum. In applications for treatment of hazardous and radioactive waste streams, the PERC system could be used for destruction of the hazardous organic constituents and/or significant waste volume reduction while capturing the radioactive fraction in a non-leachable form. Like Direct Current (DC) and Alternating Current (AC) arc plasma systems, ICP torches offer sufficient energy to decompose, melt and/or vitrify any waste stream. The decision for an arc plasma or an IC plasma system has to be made on a case by case evaluation and is highly dependent on the specific waste stream`s form and composition. Induction coupled plasma technology offers one simple, but significant difference compared to DC or AC arc plasma systems: the ICP torch is electrodeless. To date, enormous research effort has been spent to improve the lifetime of electrodes and the effectiveness of related cooling systems. Arc plasma systems are established in research laboratories worldwide and are approaching a broad use in commercial applications. ICP technology has been improved relatively recently, but nowadays offers complete new and beneficial approaches in the field of waste conversion and treatment.

  12. Separation of electron-transfer and coupled chemical reaction components of biocatalytic processes using Fourier transform ac voltammetry.

    PubMed

    Fleming, Barry D; Zhang, Jie; Bond, Alan M; Bell, Stephen G; Wong, Luet-Lok

    2005-06-01

    The underlying electron-transfer and coupled chemical processes associated with biologically important catalytic reactions can be resolved using a combination of Fourier transform ac voltammetry with an analysis of the separated dc and ac components. This outcome can be achieved because the response associated with generation of the catalytic current is essentially confined to the steady-state dc component, whereas the electron-transfer step is dominant in the fundamental and higher harmonics. For the mediated oxidation of glucose with glucose oxidase, it was found that the underlying reversible redox chemistry of the mediator, ferrocenemonocarboxylic acid, as detected in the third and higher harmonics, was totally unaffected by introduction of the catalytic process. In contrast, for the catalytic reduction of molecular oxygen by cytochrome P450, slight changes in the P450 redox process were detected when the catalytic reaction was present. Simulations of a simple catalytic reaction scheme support the fidelity of this novel FT ac voltammetric approach for examining mechanistic nuances of catalytic forms of electrochemical reaction schemes.

  13. Results from an International Simulation Study on Couples Thermal, Hydrological, and Mechanical (THM) Processes Near Geological Nuclear Waste Repositories

    SciTech Connect

    J. Rutqvist; J.T> Birkholzer; M. Chijimatsu; O. Kolditz; Q.S. Liu; Y. Oda; W. Wang; C.Y. Zhang

    2006-02-01

    As part of the ongoing international code comparison project DECOVALEX, four research teams used five different models to simulate coupled thermal, hydrological, and mechanical (THM) processes near underground waste emplacement drifts. The simulations were conducted for two generic repository types with open or back-filled repository drifts under higher and lower post-closure temperature, respectively. In the completed first model inception phase of the project, a good agreement was achieved between the research teams in calculating THM responses for both repository types, although some disagreement in hydrological responses are currently being resolved. Good agreement in the basic thermal-mechanical responses was achieved for both repository types, even with some teams using relatively simplified thermal-elastic heat-conduction models that neglect complex near-field thermal-hydrological processes. The good agreement between the complex and simplified (and well-known) process models indicates that the basic thermal-mechanical responses can be predicted with a relatively high confidence level. The research teams have now moved on to the second phase of the project, the analysis of THM-induced permanent (irreversible) changes and the impact of those changes on the fluid flow field near an emplacement drift.

  14. Results From an International Simulation Study on Couples Thermal, Hydrological, and Mechanical (THM) Processes Near Geological Nuclear Waste Repositories

    SciTech Connect

    J. Rutqvist; D. Barr; J.T. Birkholzer; M. Chijimatsu; O. Kolditz; Q. Liu; Y. Oda; W. Wang; C. Zhang

    2006-08-02

    As part of the ongoing international DECOVALEX project, four research teams used five different models to simulate coupled thermal, hydrological, and mechanical (THM) processes near waste emplacement drifts of geological nuclear waste repositories. The simulations were conducted for two generic repository types, one with open and the other with back-filled repository drifts, under higher and lower postclosure temperatures, respectively. In the completed first model inception phase of the project, a good agreement was achieved between the research teams in calculating THM responses for both repository types, although some disagreement in hydrological responses is currently being resolved. In particular, good agreement in the basic thermal-mechanical responses was achieved for both repository types, even though some teams used relatively simplified thermal-elastic heat-conduction models that neglected complex near-field thermal-hydrological processes. The good agreement between the complex and simplified process models indicates that the basic thermal-mechanical responses can be predicted with a relatively high confidence level.

  15. Emerging structural insights into glycoprotein quality control coupled with N-glycan processing in the endoplasmic reticulum.

    PubMed

    Satoh, Tadashi; Yamaguchi, Takumi; Kato, Koichi

    2015-01-30

    In the endoplasmic reticulum (ER), the sugar chain is initially introduced onto newly synthesized proteins as a triantennary tetradecasaccharide (Glc3Man9GlcNAc2). The attached oligosaccharide chain is subjected to stepwise trimming by the actions of specific glucosidases and mannosidases. In these processes, the transiently expressed N-glycans, as processing intermediates, function as signals for the determination of glycoprotein fates, i.e., folding, transport, or degradation through interactions of a series of intracellular lectins. The monoglucosylated glycoforms are hallmarks of incompletely folded states of glycoproteins in this system, whereas the outer mannose trimming leads to ER-associated glycoprotein degradation. This review outlines the recently emerging evidence regarding the molecular and structural basis of this glycoprotein quality control system, which is regulated through dynamic interplay among intracellular lectins, glycosidases, and glycosyltransferase. Structural snapshots of carbohydrate-lectin interactions have been provided at the atomic level using X-ray crystallographic analyses. Conformational ensembles of uncomplexed triantennary high-mannose-type oligosaccharides have been characterized in a quantitative manner using molecular dynamics simulation in conjunction with nuclear magnetic resonance spectroscopy. These complementary views provide new insights into glycoprotein recognition in quality control coupled with N-glycan processing.

  16. Single and Coupled Electrochemical Processes and Reactors for the Abatement of Organic Water Pollutants: A Critical Review.

    PubMed

    Martínez-Huitle, Carlos A; Rodrigo, Manuel A; Sirés, Ignasi; Scialdone, Onofrio

    2015-12-23

    Traditional physicochemical and biological techniques, as well as advanced oxidation processes (AOPs), are often inadequate, ineffective, or expensive for industrial water reclamation. Within this context, the electrochemical technologies have found a niche where they can become dominant in the near future, especially for the abatement of biorefractory substances. In this critical review, some of the most promising electrochemical tools for the treatment of wastewater contaminated by organic pollutants are discussed in detail with the following goals: (1) to present the fundamental aspects of the selected processes; (2) to discuss the effect of both the main operating parameters and the reactor design on their performance; (3) to critically evaluate their advantages and disadvantages; and (4) to forecast the prospect of their utilization on an applicable scale by identifying the key points to be further investigated. The review is focused on the direct electrochemical oxidation, the indirect electrochemical oxidation mediated by electrogenerated active chlorine, and the coupling between anodic and cathodic processes. The last part of the review is devoted to the critical assessment of the reactors that can be used to put these technologies into practice. PMID:26654466

  17. Retrofitting gear couplings with diaphragm couplings

    SciTech Connect

    Mancuso, J.R. )

    1988-10-01

    Retrofitting a coupling should not be an afterthought when upgrading a system. Couplings are an integral part of a drive train and should be a major consideration. This article discusses guidelines that should be used when replacing gear couplings with diaphragm couplings. Reviewed are the coupling selection process: how and to what extent the desired diaphragm couplings should be matched to the gear coupling. Also discussed are the details of coupling modification that can be made to accommodate system performance. Included are how changes in materials, configuration and design can help tune a diaphragm coupling to meet the characteristics of the previous gear couplings. The article also discusses the retrofit process for a specific syngas train at International Minerals and Chemical Corp., Sterlington, La.

  18. Elimination of radiocontrast agent diatrizoic acid by photo-Fenton process and enhanced treatment by coupling with electro-Fenton process.

    PubMed

    Bocos, Elvira; Oturan, Nihal; Pazos, Marta; Sanromán, M Ángeles; Oturan, Mehmet A

    2016-10-01

    The removal of radiocontrast agent diatrizoic acid (DIA) from water was performed using photo-Fenton (PF) process. First, the effect of H2O2 dosage on mineralization efficiency was determined using ultraviolet (UV) irradiation. The system reached a maximum mineralization degree of 60 % total organic carbon (TOC) removal at 4 h with 20 mM initial H2O2 concentration while further concentration values led to a decrease in TOC abatement efficiency. Then, the effect of different concentrations of Fenton's reagents was studied for homogeneous Fenton process. Obtained results revealed that 0.25 mM Fe(3+) and 20 mM H2O2 were the best conditions, achieving 80 % TOC removal efficiency at 4 h treatment. Furthermore, heterogeneous PF treatment was developed using iron-activated carbon as catalyst. It was demonstrated that this catalyst is a promising option, reaching 67 % of TOC removal within 4 h treatment without formation of iron leachate in the medium. In addition, two strategies of enhancement for process efficiency are proposed: coupling of PF with electro-Fenton (EF) process in two ways: photoelectro-Fenton (PEF) or PF followed by EF (PF-EF) treatments, achieving in both cases the complete mineralization of DIA solution within only 2 h. Finally, the Microtox tests revealed the formation of more toxic compounds than the initial DIA during PF process, while, it was possible to reach total mineralization by both proposed alternatives (PEF or PF-EF) and thus to remove the toxicity of DIA solution. PMID:27349786

  19. Elimination of radiocontrast agent diatrizoic acid by photo-Fenton process and enhanced treatment by coupling with electro-Fenton process.

    PubMed

    Bocos, Elvira; Oturan, Nihal; Pazos, Marta; Sanromán, M Ángeles; Oturan, Mehmet A

    2016-10-01

    The removal of radiocontrast agent diatrizoic acid (DIA) from water was performed using photo-Fenton (PF) process. First, the effect of H2O2 dosage on mineralization efficiency was determined using ultraviolet (UV) irradiation. The system reached a maximum mineralization degree of 60 % total organic carbon (TOC) removal at 4 h with 20 mM initial H2O2 concentration while further concentration values led to a decrease in TOC abatement efficiency. Then, the effect of different concentrations of Fenton's reagents was studied for homogeneous Fenton process. Obtained results revealed that 0.25 mM Fe(3+) and 20 mM H2O2 were the best conditions, achieving 80 % TOC removal efficiency at 4 h treatment. Furthermore, heterogeneous PF treatment was developed using iron-activated carbon as catalyst. It was demonstrated that this catalyst is a promising option, reaching 67 % of TOC removal within 4 h treatment without formation of iron leachate in the medium. In addition, two strategies of enhancement for process efficiency are proposed: coupling of PF with electro-Fenton (EF) process in two ways: photoelectro-Fenton (PEF) or PF followed by EF (PF-EF) treatments, achieving in both cases the complete mineralization of DIA solution within only 2 h. Finally, the Microtox tests revealed the formation of more toxic compounds than the initial DIA during PF process, while, it was possible to reach total mineralization by both proposed alternatives (PEF or PF-EF) and thus to remove the toxicity of DIA solution.

  20. Potential for real-time understanding of coupled hydrologic and biogeochemical processes in stream ecosystems: Future integration of telemetered data with process models for glacial meltwater streams

    NASA Astrophysics Data System (ADS)

    McKnight, Diane M.; Cozzetto, Karen; Cullis, James D. S.; Gooseff, Michael N.; Jaros, Christopher; Koch, Joshua C.; Lyons, W. Berry; Neupauer, Roseanna; Wlostowski, Adam

    2015-08-01

    While continuous monitoring of streamflow and temperature has been common for some time, there is great potential to expand continuous monitoring to include water quality parameters such as nutrients, turbidity, oxygen, and dissolved organic material. In many systems, distinguishing between watershed and stream ecosystem controls can be challenging. The usefulness of such monitoring can be enhanced by the application of quantitative models to interpret observed patterns in real time. Examples are discussed primarily from the glacial meltwater streams of the McMurdo Dry Valleys, Antarctica. Although the Dry Valley landscape is barren of plants, many streams harbor thriving cyanobacterial mats. Whereas a daily cycle of streamflow is controlled by the surface energy balance on the glaciers and the temporal pattern of solar exposure, the daily signal for biogeochemical processes controlling water quality is generated along the stream. These features result in an excellent outdoor laboratory for investigating fundamental ecosystem process and the development and validation of process-based models. As part of the McMurdo Dry Valleys Long-Term Ecological Research project, we have conducted field experiments and developed coupled biogeochemical transport models for the role of hyporheic exchange in controlling weathering reactions, microbial nitrogen cycling, and stream temperature regulation. We have adapted modeling approaches from sediment transport to understand mobilization of stream biomass with increasing flows. These models help to elucidate the role of in-stream processes in systems where watershed processes also contribute to observed patterns, and may serve as a test case for applying real-time stream ecosystem models.

  1. Uncertainties in coupled thermal-hydrological processes associated with the Drift Scale Test at Yucca Mountain, Nevada.

    PubMed

    Mukhopadhyay, S; Tsang, Y W

    2003-01-01

    Understanding thermally driven coupled hydrological, mechanical, and chemical processes in unsaturated fractured tuff is essential for evaluating the performance of the potential radioactive waste repository at Yucca Mountain, Nevada. The Drift Scale Test (DST), intended for acquiring such an understanding of these processes, has generated a huge volume of temperature and moisture redistribution data. Sophisticated thermal-hydrological (TH) conceptual models have yielded a good fit between simulation results and those measured data. However, some uncertainties in understanding the TH processes associated with the DST still exist. This paper evaluates these uncertainties and provides quantitative estimates of the range of these uncertainties. Of particular interest for the DST are the uncertainties resulting from the unmonitored loss of vapor through an open bulkhead of the test. There was concern that the outcome from the test might have been significantly altered by these losses. Using alternative conceptual models, we illustrate that predicted mean temperatures from the DST are within 1 degrees C of the measured mean temperatures through the first 2 years of heating. The simulated spatial and temporal evolution of drying and condensation fronts is found to be qualitatively consistent with measured saturation data. Energy and mass balance computation shows that no more than 13% of the input energy is lost because of vapor leaving the test domain through the bulkhead. The change in average saturation in fractures is also relatively small. For a hypothetical situation in which no vapor is allowed to exit through the bulkhead, the simulated average fracture saturation is not qualitatively different enough to be discerned by measured moisture redistribution data. This leads us to conclude that the DST, despite the uncertainties associated with open field testing, has provided an excellent understanding of the TH processes.

  2. The effect of dielectric top lids on materials processing in a low frequency inductively coupled plasma (LF-ICP) reactor

    NASA Astrophysics Data System (ADS)

    Lim, J. W. M.; Chan, C. S.; Xu, L.; Xu, S.

    2014-08-01

    The advent of the plasma revolution began in the 1970's with the exploitation of plasma sources for anisotropic etching and processing of materials. In recent years, plasma processing has gained popularity, with research institutions adopting projects in the field and industries implementing dry processing in their production lines. The advantages of utilizing plasma sources would be uniform processing over a large exposed surface area, and the reduction of toxic emissions. This leads to reduced costs borne by manufacturers which could be passed down as consumer savings, and a reduction in negative environmental impacts. Yet, one constraint that plagues the industry would be the control of contaminants in a plasma reactor which becomes evident when reactions are conducted in a clean vacuum environment. In this work, amorphous silicon (a-Si) thin films were grown on glass substrates in a low frequency inductively coupled plasma (LF-ICP) reactor with a top lid made of quartz. Even though the chamber was kept at high vacuum ( 10-4 Pa), it was evident through secondary ion mass spectroscopy (SIMS) and Fourier-transform infra-red spectroscopy (FTIR) that oxygen contaminants were present. With the aid of optical emission spectroscopy (OES) the contaminant species were identified. The design of the LF-ICP reactor was then modified to incorporate an Alumina (Al2O3) lid. Results indicate that there were reduced amounts of contaminants present in the reactor, and that an added benefit of increased power transfer to the plasma, improving deposition rate of thin films was realized. The results of this study is conclusive in showing that Al2O3 is a good alternative as a top-lid of an LF-ICP reactor, and offers industries a solution in improving quality and rate of growth of thin films.

  3. Influences of physical processes on the ecosystem in Jiaozhou Bay: A coupled physical and biological model experiment

    NASA Astrophysics Data System (ADS)

    Chen, Changsheng; Ji, Rubao; Zheng, Lianyuan; Zhu, Mingyuan; Rawson, Mac

    1999-12-01

    In this paper we have used a three-dimensional coupled physical and biological model to examine the marine ecosystem of Jiaozhou Bay. Physical processes included (1) the M2 tide, (2) river discharges, and (3) winds. The biological model described a simple, phosphorous-based, lower trophic food web system. The model results showed that tidal mixing had a direct impact on temporal and spatial distributions of nutrients and phytoplankton as well as on shellfish aquaculture. Nutrients and phytoplankton were well mixed vertically by tidal motion. Their concentrations were highest around northwestern and northern regions of the bay near river sources and decreased with water depth from the inner bay to the outer bay. A phytoplankton bloom can occur around the northwestern coast due to the "accumulation" of nutrients under southeasterly wind conditions. The flux analysis suggests that in summer the nutrients in Jiaozhou Bay was directly supplied and maintained by physical processes, but the temporal variation of phytoplankton was controlled dominantly by biological processes associated with nutrient uptake, grazing by zooplankton, and consumption by shellfish. Shellfish aquaculture can modify the bay-scale balance of the ecosystem in Jiaozhou Bay. The loss of phytoplankton in shellfish aquaculture sites tended to be compensated by advection and diffusion from the surrounding waters. A large consumption of phytoplankton by shellfish can cause a net flux of phytoplankton from the Yellow Sea to Jiaozhou Bay, although there was a net nutrient flux flowing out of the bay. The physical mechanism for the water exchange between Jiaozhou Bay and the Yellow Sea was controlled mainly by a chaotic process associated with nonlinear interactions between oscillating tidal currents and double residual eddies.

  4. How do how internal and external processes affect the behaviors of coupled marsh mudflat systems; infill, stabilize, retreat, or drown?

    NASA Astrophysics Data System (ADS)

    Carr, J. A.; Mariotti, G.; Wiberg, P.; Fagherazzi, S.; McGlathery, K.

    2013-12-01

    Intertidal coastal environments are prone to changes induced by sea level rise, increases in storminess, and anthropogenic disturbances. It is unclear how changes in external drivers may affect the dynamics of low energy coastal environments because their response is non-linear, and characterized by many thresholds and discontinuities. As such, process-based modeling of the ecogeomorphic processes underlying the dynamics of these ecosystems is useful, not only to predict their change through time, but also to generate new hypotheses and research questions. Here, a three-point dynamic model was developed to investigate how internal and external processes affect the behavior of coupled marsh mudflat systems. The model directly incorporates ecogeomorphological feedbacks between wind waves, salt marsh vegetation, allochthonous sediment loading, tidal flat vegetation and sea level rise. The model was applied to examine potential trajectories of salt marshes on the Eastern seaboard of the United States, including those in the Plum Island Ecosystems (PIE), Virginia Coast Reserve (VCR) and Georgia Coastal Ecosystems (GCE) long term ecological research (LTER) sites. While these sites are undergoing similar rates of relative sea level rise (RSLR), they have distinct differences in site specific environmental drivers including tides, wind waves, allochthonous sediment supply and the presence or absence of seagrass. These differences lead to the emergence of altered behaviors in the coupled salt marsh-tidal flat system. For marsh systems without seagrass or significant riverine sediment supply, conditions similar to those at PIE, results indicated that horizontal and vertical marsh evolution respond in opposing ways to wave induced processes. Marsh horizontal retreat is triggered by large mudflats and strong winds, whereas small mudflats and weak winds reduce the sediment supply to the salt marsh, decreasing its capability to keep pace with sea level rise. Marsh expansion and

  5. Coupled process of plastics pyrolysis and chemical vapor deposition for controllable synthesis of vertically aligned carbon nanotube arrays

    NASA Astrophysics Data System (ADS)

    Yang, Zhou; Zhang, Qiang; Luo, Guohua; Huang, Jia-Qi; Zhao, Meng-Qiang; Wei, Fei

    2010-08-01

    Efficient conversion of waste plastics into advanced materials is of conspicuous environmental, social and economic benefits. A coupled process of plastic pyrolysis and chemical vapor deposition for vertically aligned carbon nanotube (CNT) array growth was proposed. Various kinds of plastics, such as polypropylene, polyethylene, and polyvinyl chloride, were used as carbon sources for the controllable growth of CNT arrays. The relationship between the length of CNT arrays and the growth time was investigated. It was found that the length of aligned CNTs increased with prolonged growth time. CNT arrays with a length of 500 μm were obtained for a 40-min growth and the average growth rate was estimated to be 12 μm/min. The diameter of CNTs in the arrays can be modulated by controlling the growth temperature and the feeding rate of ferrocene. In addition, substrates with larger specific surface area such as ceramic spheres, quartz fibers, and quartz particles, were adopted to support the growth of CNT arrays. Those results provide strong evidence for the feasibility of conversion from waste plastics into CNT arrays via this reported sustainable materials processing.

  6. Life cycle assessment of hydrogen production from S-I thermochemical process coupled to a high temperature gas reactor

    SciTech Connect

    Giraldi, M. R.; Francois, J. L.; Castro-Uriegas, D.

    2012-07-01

    The purpose of this paper is to quantify the greenhouse gas (GHG) emissions associated to the hydrogen produced by the sulfur-iodine thermochemical process, coupled to a high temperature nuclear reactor, and to compare the results with other life cycle analysis (LCA) studies on hydrogen production technologies, both conventional and emerging. The LCA tool was used to quantify the impacts associated with climate change. The product system was defined by the following steps: (i) extraction and manufacturing of raw materials (upstream flows), (U) external energy supplied to the system, (iii) nuclear power plant, and (iv) hydrogen production plant. Particular attention was focused to those processes where there was limited information from literature about inventory data, as the TRISO fuel manufacture, and the production of iodine. The results show that the electric power, supplied to the hydrogen plant, is a sensitive parameter for GHG emissions. When the nuclear power plant supplied the electrical power, low GHG emissions were obtained. These results improve those reported by conventional hydrogen production methods, such as steam reforming. (authors)

  7. Recovery of salts from ion-exchange regeneration streams by a coupled nanofiltration-membrane distillation process.

    PubMed

    Jiříček, Tomáš; De Schepper, Wim; Lederer, Tomáš; Cauwenberg, Peter; Genné, Inge

    2015-01-01

    Ion-exchange tap water demineralization for process water preparation results in a saline regeneration wastewater (20-100 mS cm(-1)) that is increasingly problematic in view of discharge. A coupled nanofiltration-membrane distillation (NF-MD) process is evaluated for the recovery of water and sodium chloride from this wastewater. NF-MD treatment of mixed regeneration wastewater is compared to NF-MD treatment of separate anion- and cation-regenerate fractions. NF on mixed regeneration wastewater results in a higher flux (30 L m(-2) h(-1) at 7 bar) compared to NF on the separate fractions (6-9 L m(-2) h(-1) at 30 bar). NF permeate recovery is strongly limited by scaling (50% for separate and 60% for mixed, respectively). Physical signs of scaling were found during MD treatment of the NF permeates but did not result in flux decline for mixed regeneration wastewater. Final salt composition is expected to qualify as a road de-icing salt. NF-MD is an economically viable alternative compared to external disposal of wastewater for larger-scale installations (1.4 versus 2.5 euro m(-3) produced demineralized water for a 10 m3 regenerate per day plant). The cost benefits of water re-use and salt recuperation are small when compared to total treatment costs for mixed regenerate wastewater.

  8. Faulting process of the August 8, 1993, Guam earthquake: A thrust event in an otherwise weakly coupled subduction zone

    NASA Astrophysics Data System (ADS)

    Campos, J.; Madariaga, R.; Scholz, C.

    1996-08-01

    We study a large Mw = 7.7 earthquake that occurred on June 8, 1993, slightly offshore and under the island of Guam in the southern Mariana island arc. From a complete study of P and SH body waves, a relocation of the aftershocks, and the subevents of the main shock, we propose a relatively simple model of the rupture process of this event. We propose that this earthquake ruptured a shallow-dipping thrust fault that corresponds to the subduction interface under Guam. Like many other earthquakes, this event started with a small foreshock and was followed by two large energy release events located to the northeast of the epicenter along the subduction zone. The rupture process had a relatively short duration of about 32 s, with a weak starting phase that lasted about 8 s. Seismic moments estimated from body waves, surface waves, and Global Positioning System (GPS) are very similar of the order of 4.5 × 1020 N m. The displacement field produced by our best model was compared to the GPS measurements of coseismic slip obtained by Beavan et al. [1994]. We find an excellent agreement both in displacement direction and magnitude between the predicted and observed GPS displacements. This appears to be then the largest earthquake to have occurred on a shallow-dipping thrust fault in the Mariana subduction zone during this century. Its occurrence requires a reassessment of the concept of seismic coupling in this subduction zone.

  9. A New Hybrid BFOA-PSO Optimization Technique for Decoupling and Robust Control of Two-Coupled Distillation Column Process

    PubMed Central

    Mohamed, Amr E.; Dorrah, Hassen T.

    2016-01-01

    The two-coupled distillation column process is a physically complicated system in many aspects. Specifically, the nested interrelationship between system inputs and outputs constitutes one of the significant challenges in system control design. Mostly, such a process is to be decoupled into several input/output pairings (loops), so that a single controller can be assigned for each loop. In the frame of this research, the Brain Emotional Learning Based Intelligent Controller (BELBIC) forms the control structure for each decoupled loop. The paper's main objective is to develop a parameterization technique for decoupling and control schemes, which ensures robust control behavior. In this regard, the novel optimization technique Bacterial Swarm Optimization (BSO) is utilized for the minimization of summation of the integral time-weighted squared errors (ITSEs) for all control loops. This optimization technique constitutes a hybrid between two techniques, which are the Particle Swarm and Bacterial Foraging algorithms. According to the simulation results, this hybridized technique ensures low mathematical burdens and high decoupling and control accuracy. Moreover, the behavior analysis of the proposed BELBIC shows a remarkable improvement in the time domain behavior and robustness over the conventional PID controller. PMID:27807444

  10. Prediction of Coupled Thermal, Hydrological and Chemical Processes at the Proposed Yucca Mountain Nuclear Waste Repository: An Integrated Approach

    SciTech Connect

    N. Spycher; E. Sonnenthal; T. Kneafsey; P. Dobson

    2003-10-17

    An integrated modeling approach was developed to investigate long-term coupled thermal, hydrological, and chemical (THC) processes that could take place around nuclear waste emplacement tunnels (drifts). The approach involves the development of process models, followed by numerical implementation and validation against field and laboratory experiments before conducting long-term predictive simulations. An outcome of this work was the refinement and validation of an existing reactive transport numerical code for applications specific to the geologic storage of nuclear waste. The model was applied to the case of the proposed high-level nuclear waste repository at Yucca Mountain, Nevada, to evaluate the chemistry of waters potentially seeping into drifts and the effect of water-rock interaction on long-term hydrological behavior around the repository. At liquid saturations significantly larger than residual, no extreme pH or salinity values were predicted. Mineral precipitation around drifts consists mainly of silica with minor calcite, trace zeolites and clays. The effect of mineral precipitation on flow depends largely on initial fracture porosity, and results in negligible to significant diversion of percolation around the drift. Further analyses of model uncertainty are under way to improve confidence in model results.

  11. Recovery of salts from ion-exchange regeneration streams by a coupled nanofiltration-membrane distillation process.

    PubMed

    Jiříček, Tomáš; De Schepper, Wim; Lederer, Tomáš; Cauwenberg, Peter; Genné, Inge

    2015-01-01

    Ion-exchange tap water demineralization for process water preparation results in a saline regeneration wastewater (20-100 mS cm(-1)) that is increasingly problematic in view of discharge. A coupled nanofiltration-membrane distillation (NF-MD) process is evaluated for the recovery of water and sodium chloride from this wastewater. NF-MD treatment of mixed regeneration wastewater is compared to NF-MD treatment of separate anion- and cation-regenerate fractions. NF on mixed regeneration wastewater results in a higher flux (30 L m(-2) h(-1) at 7 bar) compared to NF on the separate fractions (6-9 L m(-2) h(-1) at 30 bar). NF permeate recovery is strongly limited by scaling (50% for separate and 60% for mixed, respectively). Physical signs of scaling were found during MD treatment of the NF permeates but did not result in flux decline for mixed regeneration wastewater. Final salt composition is expected to qualify as a road de-icing salt. NF-MD is an economically viable alternative compared to external disposal of wastewater for larger-scale installations (1.4 versus 2.5 euro m(-3) produced demineralized water for a 10 m3 regenerate per day plant). The cost benefits of water re-use and salt recuperation are small when compared to total treatment costs for mixed regenerate wastewater. PMID:26177408

  12. Potentialities of coupling biological processes (biotrickler/biofilter) for the degradation of a mixture of sulphur compounds.

    PubMed

    Malhautier, Luc; Soupramanien, Alexandre; Bayle, Sandrine; Rocher, Janick; Fanlo, Jean-Louis

    2015-01-01

    This study deals with the potential of biological processes combining a biotrickler and a biofilter to treat a mixture of sulphur-reduced compounds including dimethyl sulphide (DMS), dimethyl disulphide (DMDS) and hydrogen sulphide (H2S). As a reference, duplicated biofilters were implemented, and operating conditions were similar for all bioprocesses. The first step of this work was to determine the efficiency removal level achieved for each compound of the mixture and in a second step, to assess the longitudinal distribution of biodegradation activities and evaluate the total bacteria, Hyphomicrobium sp. and Thiobacillus thioparus densities along the bed height. A complete removal of hydrogen sulphide is reached at the start of the experiment within the first stage (biotrickler) of the coupling. This study highlighted that the coupling of a biotrickling filter and a biofilter is an interesting way to improve both removal efficiency levels (15-20% more) and kinetics of recalcitrant sulphur compounds such as DMS and DMDS. The total cell densities remained similar (around 1 × 10(10) 16S recombinant DNA (rDNA) copies g dry packing material) for duplicated biofilters and the biofilter below the biotrickling filter. The relative abundances of Hyphomicrobium sp. and T. thioparus have been estimated to an average of 10 ± 7.0 and 0.23 ± 0.07%, respectively, for all biofilters. Further investigation should allow achieving complete removal of DMS by starting the organic sulphur compound degradation within the first stage and surveying microbial community structure colonizing this complex system. PMID:24898634

  13. Freeze-drying simulation framework coupling product attributes and equipment capability: toward accelerating process by equipment modifications.

    PubMed

    Ganguly, Arnab; Alexeenko, Alina A; Schultz, Steven G; Kim, Sherry G

    2013-10-01

    A physics-based model for the sublimation-transport-condensation processes occurring in pharmaceutical freeze-drying by coupling product attributes and equipment capabilities into a unified simulation framework is presented. The system-level model is used to determine the effect of operating conditions such as shelf temperature, chamber pressure, and the load size on occurrence of choking for a production-scale dryer. Several data sets corresponding to production-scale runs with a load from 120 to 485 L have been compared with simulations. A subset of data is used for calibration, whereas another data set corresponding to a load of 150 L is used for model validation. The model predictions for both the onset and extent of choking as well as for the measured product temperature agree well with the production-scale measurements. Additionally, we study the effect of resistance to vapor transport presented by the duct with a valve and a baffle in the production-scale freeze-dryer. Computation Fluid Dynamics (CFD) techniques augmented with a system-level unsteady heat and mass transfer model allow to predict dynamic process conditions taking into consideration specific dryer design. CFD modeling of flow structure in the duct presented here for a production-scale freeze-dryer quantifies the benefit of reducing the obstruction to the flow through several design modifications. It is found that the use of a combined valve-baffle system can increase vapor flow rate by a factor of 2.2. Moreover, minor design changes such as moving the baffle downstream by about 10 cm can increase the flow rate by 54%. The proposed design changes can increase drying rates, improve efficiency, and reduce cycle times due to fewer obstructions in the vapor flow path. The comprehensive simulation framework combining the system-level model and the detailed CFD computations can provide a process analytical tool for more efficient and robust freeze-drying of bio-pharmaceuticals.

  14. Evaluation of soil nitrogen emissions from riparian zones coupling simple process-oriented models with remote sensing data.

    PubMed

    Wang, Xuelei; Mannaerts, C M; Yang, Shengtian; Gao, Yunfei; Zheng, Donghai

    2010-07-15

    Riparian ecosystems have critical impacts on controlling the non-point source pollution and maintaining the health of aquatic ecosystems. In this study, a process oriented soil denitrification model was extended with algorithms from a simple nitrogen (N) cycle model and coupled to land surface remote sensing data to enhance its performance in spatial and temporal prediction of gaseous N emissions from soils in the riparian buffer zone surrounding the Guanting reservoir (China). The N emission model is based on chemical and physical relationships that govern the heat budget, soil moisture variations and nitrogen movement in soils. Besides soil water and heat processes, it includes nitrification, denitrification and ammonia (NH(3)) volatilization. SPOT-5 and Landsat-5 TM satellite data were used to derive spatial land surface information and the temporal variation in land cover parameters was also used to drive the model. A laboratory-scale anaerobic incubation experiment was used to estimate the soil denitrification model parameters for the different soil types. An in situ field-scale experiment was conducted to calibrate and validate the soil temperature, moisture and nitrogen sub-models. An indirect method was used to verify simulated N emissions, resulting in a coefficient of determination of R(2)=0.83 between simulated and observed values. Then the model was applied to the whole riparian buffer zone catchment, using the spatial resolution (10m) of the SPOT-5 image. Model sensitivity analysis showed that soil moisture was the most sensitive parameter for gaseous N emissions and soil denitrification was the main process affecting N losses to the atmosphere in the riparian area. From the aspect of land use management around the Guanting reservoir, the spatial structure and distribution of land cover and land use types in the riparian area should be adapted, to enhance faster ecological restoration of the wetland ecological system surrounding this strategically

  15. A Coupled GCM-Cloud Resolving Modeling System, and A Regional Scale Model to Study Precipitation Processes

    NASA Technical Reports Server (NTRS)

    Tao, Wei-Kuo

    2006-01-01

    Recent GEWEX Cloud System Study (GCSS) model comparison projects have indicated that cloud-resolving models (CRMs) agree with observations better than traditional single-column models in simulating various types of clouds and cloud systems from different geographic locations. Current and future NASA satellite programs can provide cloud, precipitation, aerosol and other data at very fine spatial and temporal scales. It requires a coupled global circulation model (GCM) and cloud-scale model (termed a super-parameterization or multi-scale modeling framework, MMF) to use these satellite data to improve the understanding of the physical processes that are responsible for the variation in global and regional climate and hydrological systems. The use of a GCM will enable global coverage, and the use of a CRM will allow for better and more sophisticated physical parameterization. NASA satellite and field campaign cloud related datasets can provide initial conditions as well as validation for both the MMF and CRMs. The Goddard MMF is based on the 2D Goddard Cumulus Ensemble (GCE) model and the Goddard finite volume general circulation model (fvGCM), and it has started production runs with two years results (1998 and 1999). Also, at Goddard, we have implemented several Goddard microphysical schemes (21CE, several 31CE), Goddard radiation (including explicitly calculated cloud optical properties), and Goddard Land Information (LIS, that includes the CLM and NOAH land surface models) into a next generation regional scale model, WRF. In this talk, I will present: (1) A brief review on GCE model and its applications on precipitation processes (microphysical and land processes), (2) The Goddard MMF and the major difference between two existing MMFs (CSU MMF and Goddard MMF), and preliminary results (the comparison with traditional GCMs), and (3) A discussion on the Goddard WRF version (its developments and applications).

  16. A Coupled GCM-Cloud Resolving Modeling System, and a Regional Scale Model to Study Precipitation Processes

    NASA Technical Reports Server (NTRS)

    Tao, Wei-Kuo

    2006-01-01

    Recent GEWEX Cloud System Study (GCSS) model comparison projects have indicated that cloud-resolving models (CRMs) agree with observations better than traditional single-column models in simulating various types of clouds and cloud systems from different geographic locations. Current and future NASA satellite programs can provide cloud, precipitation, aerosol and other data at very fine spatial and temporal scales. It requires a coupled global circulation model (GCM) and cloud-scale model (termed a super-parameterization or multi-scale modeling framework, MMF) to use these satellite data to improve the understanding of the physical processes that are responsible for the variation in global and regional climate and hydrological systems. The use of a GCM will enable global coverage, and the use of a CRM will allow for better and more sophisticated physical parameterization. NASA satellite and field campaign cloud related datasets can provide initial conditions as well as validation for both the MMF and CFWs. The Goddard MMF is based on the 2D Goddard Cumulus Ensemble (GCE) model and the Goddard finite volume general circulation model (fvGCM), and it has started production runs with two years results (1 998 and 1999). In this talk, I will present: (1) A brief review on GCE model and its applications on precipitation processes (microphysical and land processes), (2) The Goddard MMF and the major difference between two existing MMFs (CSU MMF and Goddard MMF), and preliminary results (the comparison with traditional GCMs), and (3) A discussion on the Goddard WRF version (its developments and applications).

  17. A Coupled GCM-Cloud Resolving Modeling System, and a Regional Scale Model to Study Precipitation Processes

    NASA Technical Reports Server (NTRS)

    Tao, Wei-Kuo

    2007-01-01

    Recent GEWEX Cloud System Study (GCSS) model comparison projects have indicated that cloud-resolving models (CRMs) agree with observations better than traditional single-column models in simulating various types of clouds and cloud systems from different geographic locations. Current and future NASA satellite programs can provide cloud, precipitation, aerosol and other data at very fine spatial and temporal scales. It requires a coupled global circulation model (GCM) and cloud-scale model (termed a superparameterization or multi-scale modeling framework, MMF) to use these satellite data to improve the understanding of the physical processes that are responsible for the variation in global and regional climate and hydrological systems. The use of a GCM will enable global coverage, and the use of a CRM will allow for better and more sophisticated physical parameterization. NASA satellite and field campaign cloud related datasets can provide initial conditions as well as validation for both the MMF and CRMs. The Goddard MMF is based on the 2D Goddard Cumulus Ensemble (GCE) model and the Goddard finite volume general circulation model (fvGCM), and it has started production runs with two years results (1998 and 1999). Also, at Goddard, we have implemented several Goddard microphysical schemes (2ICE, several 31CE), Goddard radiation (including explicitly calculated cloud optical properties), and Goddard Land Information (LIS, that includes the CLM and NOAH land surface models) into a next generatio11 regional scale model, WRF. In this talk, I will present: (1) A brief review on GCE model and its applications on precipitation processes (microphysical and land processes), (2) The Goddard MMF and the major difference between two existing MMFs (CSU MMF and Goddard MMF), and preliminary results (the comparison with traditional GCMs), and (3) A discussion on the Goddard WRF version (its developments and applications).

  18. Infrasound and Seismic Observation of the Hayabusa Reentry: Burst Signals and Air-to-Ground Coupling Process

    NASA Astrophysics Data System (ADS)

    Ishihara, Y.; Hiramatsu, Y.; Yamamoto, M.; Furumoto, M.; Fujita, K.

    2012-12-01

    The Hayabusa, the world's first sample-return minor body explorer, reentered the Earth's atmosphere on June 13, 2010. This was the third direct reentry event from the interplanetary transfer orbit to the Earth at a velocity of over 11.2 km/s, and was the world's first case of a direct reentry of the spacecraft itself from the interplanetary transfer orbit. This was the very good and rare opportunity to study bolide class meteor phenomena by various aspects. Multi-site ground observations of the Hayabusa reentry were carried out in the Woomera Prohibited Area, Australia (Fujita et al., 2011). The observations were configured with optical imaging, spectroscopies, and shockwave detection with infrasound and seismic sensors. At three main stations (GOS2, GOS2A, and GOS2B), we installed small aperture infrasound/seismic arrays, as well as three single component seismic sub stations (GOS2B-sub1, to GOS2B-sub3) (Yamamoto et al., 2011; Ishihara et al., 2012). The infrasound and seismic sensors clearly recorded sonic-boom-type shockwaves from the Hayabusa sample return capsule (Ishihara et al., 2012). In addition, following capsule signal, lots of signals that probably correspond shockwave from disrupted fragments of spacecraft and energetic bursts of the spacecraft were also recorded (Yamamoto et al., 2011). In this study, we analyze signals generated by hypersonic motion of the disrupted fragments and energetic burst of the spacecraft. In addition, we examine the air-to-ground coupling process by comparing the waveforms computed by finite difference scheme with the actual ones. At all three arrayed main stations, after the capsule's shockwave arrival, we detect multiple shockwave signals by both infrasound and seismic sensors. For some of these signals arrive within 10 seconds after capsule's signal, we can identify one to one correspondence with optically tracked disrupted fragments of the spacecraft. Far after the capsule's signal, we also detect some arrivals of wave

  19. Development of the T+M coupled flow–geomechanical simulator to describe fracture propagation and coupled flow–thermal–geomechanical processes in tight/shale gas systems

    SciTech Connect

    Kim, Jihoon; Moridis, George J.

    2013-10-01

    We developed a hydraulic fracturing simulator by coupling a flow simulator to a geomechanics code, namely T+M simulator. Modeling of the vertical fracture development involves continuous updating of the boundary conditions and of the data connectivity, based on the finite element method for geomechanics. The T+M simulator can model the initial fracture development during the hydraulic fracturing operations, after which the domain description changes from single continuum to double or multiple continua in order to rigorously model both flow and geomechanics for fracture-rock matrix systems. The T+H simulator provides two-way coupling between fluid-heat flow and geomechanics, accounting for thermoporomechanics, treats nonlinear permeability and geomechanical moduli explicitly, and dynamically tracks changes in the fracture(s) and in the pore volume. We also fully accounts for leak-off in all directions during hydraulic fracturing. We first validate the T+M simulator, matching numerical solutions with the analytical solutions for poromechanical effects, static fractures, and fracture propagations. Then, from numerical simulation of various cases of the planar fracture propagation, shear failure can limit the vertical fracture propagation of tensile failure, because of leak-off into the reservoirs. Slow injection causes more leak-off, compared with fast injection, when the same amount of fluid is injected. Changes in initial total stress and contributions of shear effective stress to tensile failure can also affect formation of the fractured areas, and the geomechanical responses are still well-posed.

  20. Improving carbohydrate production of Chlorella sorokiniana NIES-2168 through semi-continuous process coupled with mixotrophic cultivation.

    PubMed

    Wang, Yue; Chiu, Sheng-Yi; Ho, Shih-Hsin; Liu, Zhuo; Hasunuma, Tomohisa; Chang, Ting-Ting; Chang, Kuan-Fu; Chang, Jo-Shu; Ren, Nan-Qi; Kondo, Akihiko

    2016-08-01

    Biofuels from microalgae is now a hot issue of great potential. However, achieving high starch productivity with photoautotrophic microalgae is still challenging. A feasible approach to enhance the growth and target product of microalgae is to conduct mixotrophic cultivation. The appropriate acetate addition combined with CO2 supply as dual carbon sources (i.e., mixotrophic cultivation) could enhance the cell growth of some microalgae species, but the effect of acetate-mediated mixotrophic culture mode on carbohydrate accumulation in microalgae remains unclear. Moreover, there is still lack of the information concerning how to increase the productivity of carbohydrates from microalgae under acetate-amended mixotrophic cultivation and how to optimize the engineering strategies to achieve the goal. This study was undertaken to develop an optimal acetate-contained mixotrophic cultivation system coupled with effective operation strategies to markedly improve the carbohydrate productivity of Chlorella sorokiniana NIES-2168. The optimal carbohydrate productivity of 695 mg/L/d was obtained, which is the highest value ever reported. The monosaccharide in the accumulated carbohydrates is mainly glucose (i.e., 85-90%), which is very suitable for bio-alcohols fermentation. Hence, by applying the optimal process developed in this study, C. sorokiniana NIES-2168 has a high potential to serve as a feedstock for subsequent biofuels conversion. PMID:27312599

  1. Investigation of pharmaceuticals in processed animal by-products by liquid chromatography coupled to high-resolution mass spectrometry.

    PubMed

    Nácher-Mestre, Jaime; Ibáñez, María; Serrano, Roque; Boix, Clara; Bijlsma, Lubertus; Lunestad, Bjørn Tore; Hannisdal, Rita; Alm, Martin; Hernández, Félix; Berntssen, Marc H G

    2016-07-01

    There is an on-going trend for developing more sustainable salmon feed in which traditionally applied marine feed ingredients are replaced with alternatives. Processed animal products (PAPs) have been re-authorized as novel high quality protein ingredients in 2013. These PAPs may harbor undesirable substances such as pharmaceuticals and metabolites which are not previously associated with salmon farming, but might cause a potential risk for feed and food safety. To control these contaminants, an analytical strategy based on a generic extraction followed by ultra-high performance liquid chromatography coupled to high resolution mass spectrometry (UHPLC-HRMS) using quadrupole time-of-flight mass analyzer (QTOF MS) was applied for wide scope screening. Quality control samples, consisting of PAP commodities spiked at 0.02, 0.1 and 0.2 mg/kg with 150 analytes, were injected in every sample batch to verify the overall method performance. The methodology was applied to 19 commercially available PAP samples from six different types of matrices from the EU animal rendering industry. This strategy allows assessing possible emergent risk exposition of the salmon farming industry to 1005 undesirables, including pharmaceuticals, several dyes and relevant metabolites. PMID:27058915

  2. Evaluating the influence of process parameters on soluble microbial products formation using response surface methodology coupled with grey relational analysis.

    PubMed

    Xu, Juan; Sheng, Guo-Ping; Luo, Hong-Wei; Fang, Fang; Li, Wen-Wei; Zeng, Raymond J; Tong, Zhong-Hua; Yu, Han-Qing

    2011-01-01

    Soluble microbial products (SMPs) present a major part of residual chemical oxygen demand (COD) in the effluents from biological wastewater treatment systems, and the SMP formation is greatly influenced by a variety of process parameters. In this study, response surface methodology (RSM) coupled with grey relational analysis (GRA) method was used to evaluate the effects of substrate concentration, temperature, NH(4)(+)-N concentration and aeration rate on the SMP production in batch activated sludge reactors. Carbohydrates were found to be the major component of SMP, and the influential priorities of these factors were: temperature>substrate concentration > aeration rate > NH(4)(+)-N concentration. On the basis of the RSM results, the interactive effects of these factors on the SMP formation were evaluated, and the optimal operating conditions for a minimum SMP production in such a batch activated sludge system also were identified. These results provide useful information about how to control the SMP formation of activated sludge and ensure the bioreactor high-quality effluent. PMID:20832838

  3. Coupling of Cellular Processes and Their Coordinated Oscillations under Continuous Light in Cyanothece sp. ATCC 51142, a Diazotrophic Unicellular Cyanobacterium

    PubMed Central

    Vinh, Nguyen X.; Viswanathan, Ganesh A.; Chetty, Madhu; Wangikar, Pramod P.

    2015-01-01

    Unicellular diazotrophic cyanobacteria such as Cyanothece sp. ATCC 51142 (henceforth Cyanothece), temporally separate the oxygen sensitive nitrogen fixation from oxygen evolving photosynthesis not only under diurnal cycles (LD) but also in continuous light (LL). However, recent reports demonstrate that the oscillations in LL occur with a shorter cycle time of ~11 h. We find that indeed, majority of the genes oscillate in LL with this cycle time. Genes that are upregulated at a particular time of day under diurnal cycle also get upregulated at an equivalent metabolic phase under LL suggesting tight coupling of various cellular events with each other and with the cell’s metabolic status. A number of metabolic processes get upregulated in a coordinated fashion during the respiratory phase under LL including glycogen degradation, glycolysis, oxidative pentose phosphate pathway, and tricarboxylic acid cycle. These precede nitrogen fixation apparently to ensure sufficient energy and anoxic environment needed for the nitrogenase enzyme. Photosynthetic phase sees upregulation of photosystem II, carbonate transport, carbon concentrating mechanism, RuBisCO, glycogen synthesis and light harvesting antenna pigment biosynthesis. In Synechococcus elongates PCC 7942, a non-nitrogen fixing cyanobacteria, expression of a relatively smaller fraction of genes oscillates under LL condition with the major periodicity being 24 h. In contrast, the entire cellular machinery of Cyanothece orchestrates coordinated oscillation in anticipation of the ensuing metabolic phase in both LD and LL. These results may have important implications in understanding the timing of various cellular events and in engineering cyanobacteria for biofuel production. PMID:25973856

  4. Coupling of Cellular Processes and Their Coordinated Oscillations under Continuous Light in Cyanothece sp. ATCC 51142, a Diazotrophic Unicellular Cyanobacterium.

    PubMed

    Krishnakumar, S; Gaudana, Sandeep B; Vinh, Nguyen X; Viswanathan, Ganesh A; Chetty, Madhu; Wangikar, Pramod P

    2015-01-01

    Unicellular diazotrophic cyanobacteria such as Cyanothece sp. ATCC 51142 (henceforth Cyanothece), temporally separate the oxygen sensitive nitrogen fixation from oxygen evolving photosynthesis not only under diurnal cycles (LD) but also in continuous light (LL). However, recent reports demonstrate that the oscillations in LL occur with a shorter cycle time of ~11 h. We find that indeed, majority of the genes oscillate in LL with this cycle time. Genes that are upregulated at a particular time of day under diurnal cycle also get upregulated at an equivalent metabolic phase under LL suggesting tight coupling of various cellular events with each other and with the cell's metabolic status. A number of metabolic processes get upregulated in a coordinated fashion during the respiratory phase under LL including glycogen degradation, glycolysis, oxidative pentose phosphate pathway, and tricarboxylic acid cycle. These precede nitrogen fixation apparently to ensure sufficient energy and anoxic environment needed for the nitrogenase enzyme. Photosynthetic phase sees upregulation of photosystem II, carbonate transport, carbon concentrating mechanism, RuBisCO, glycogen synthesis and light harvesting antenna pigment biosynthesis. In Synechococcus elongates PCC 7942, a non-nitrogen fixing cyanobacteria, expression of a relatively smaller fraction of genes oscillates under LL condition with the major periodicity being 24 h. In contrast, the entire cellular machinery of Cyanothece orchestrates coordinated oscillation in anticipation of the ensuing metabolic phase in both LD and LL. These results may have important implications in understanding the timing of various cellular events and in engineering cyanobacteria for biofuel production.

  5. Development of Modeling Methods and Tools for Predicting Coupled Reactive Transport Processes in Porous Media at Multiple Scales

    SciTech Connect

    Clement, T Prabhakar; Barnett, Mark O; Zheng, Chunmiao; Jones, Norman L

    2010-05-05

    DE-FG02-06ER64213: Development of Modeling Methods and Tools for Predicting Coupled Reactive Transport Processes in Porous Media at Multiple Scales Investigators: T. Prabhakar Clement (PD/PI) and Mark O. Barnett (Auburn), Chunmiao Zheng (Univ. of Alabama), and Norman L. Jones (BYU). The objective of this project was to develop scalable modeling approaches for predicting the reactive transport of metal contaminants. We studied two contaminants, a radioactive cation [U(VI)] and a metal(loid) oxyanion system [As(III/V)], and investigated their interactions with two types of subsurface materials, iron and manganese oxyhydroxides. We also developed modeling methods for describing the experimental results. Overall, the project supported 25 researchers at three universities. Produced 15 journal articles, 3 book chapters, 6 PhD dissertations and 6 MS theses. Three key journal articles are: 1) Jeppu et al., A scalable surface complexation modeling framework for predicting arsenate adsorption on goethite-coated sands, Environ. Eng. Sci., 27(2): 147-158, 2010. 2) Loganathan et al., Scaling of adsorption reactions: U(VI) experiments and modeling, Applied Geochemistry, 24 (11), 2051-2060, 2009. 3) Phillippi, et al., Theoretical solid/solution ratio effects on adsorption and transport: uranium (VI) and carbonate, Soil Sci. Soci. of America, 71:329-335, 2007

  6. Coupled-channels quantum theory of electronic flux density in electronically adiabatic processes: application to the hydrogen molecule ion.

    PubMed

    Diestler, D J; Kenfack, A; Manz, J; Paulus, B

    2012-03-22

    This article presents the results of the first quantum simulations of the electronic flux density (j(e)) by the "coupled-channels" (CC) theory, the fundamentals of which are presented in the previous article [Diestler, D. J. J. Phys. Chem. A 2012, DOI: 10.1021/jp207843z]. The principal advantage of the CC scheme is that it employs exclusively standard methods of quantum chemistry and quantum dynamics within the framework of the Born-Oppenheimer approximation (BOA). The CC theory goes beyond the BOA in that it yields a nonzero j(e) for electronically adiabatic processes, in contradistinction to the BOA itself, which always gives j(e) = 0. The CC is applied to oriented H(2)(+) vibrating in the electronic ground state ((2)Σ(g)(+)), for which the nuclear and electronic flux densities evolve on a common time scale of about 22 fs per vibrational period. The system is chosen as a touchstone for the CC theory, because it is the only one for which highly accurate flux densities have been calculated numerically without invoking the BOA [Barth et al, Chem. Phys. Lett. 2009, 481, 118]. Good agreement between CC and accurate results supports the CC approach, another advantage of which is that it allows a transparent interpretation of the temporal and spatial properties of j(e).

  7. Phosphorus removal and recovery from domestic wastewater in a novel process of enhanced biological phosphorus removal coupled with crystallization.

    PubMed

    Zou, Haiming; Wang, Yan

    2016-07-01

    A new process of enhanced biological phosphorus removal coupled with crystallization recovery of phosphorus was developed here, where the feasibility of nutrients removal and potential for phosphorus recovery from domestic wastewater was further assessed. Results showed that an excellent nutrients removal and phosphorus recovery performance was achieved, in which the averaged COD, PO4(3-)-P and NO3(-)-N removal efficiencies were 82.6%, 87.5% and 91.6%, respectively and a total of 59.3% of phosphorus was recovered as hydroxyapatite. What's more, crystallization recovery of phosphorus greatly enhanced the biological phosphorus removal efficiency. After the incorporation of the phosphorus recovery column via side-stream, the phosphorus concentration of effluent was significantly decreased ranging from 1.24mg/L to 0.85mg/L, 0.52mg/L and 0.41mg/L at the lateral flow ratios of 0, 0.1, 0.2 and 0.3, respectively. The results obtained here would be beneficial to provide a prospective alternative for phosphorus removal and recovery from wastewater.

  8. A comparative simulation study of coupled THM processes and their effect on fractured rock permeability around nuclear waste repositories

    SciTech Connect

    Rutqvist, Jonny; Barr, Deborah; Birkholzer, Jens T.; Fujisaki, Kiyoshi; Kolditz, Olf; Liu, Quan-Shen; Fujita, tomoo; Wang, Wenqing; Zhang, Cheng-Yuan

    2008-10-23

    This paper presents an international, multiple-code, simulation study of coupled thermal, hydrological, and mechanical (THM) processes and their effect on permeability and fluid flow in fractured rock around heated underground nuclear waste emplacement drifts. Simulations were conducted considering two types of repository settings: (a) open emplacement drifts in relatively shallow unsaturated volcanic rock, and (b) backfilled emplacement drifts in deeper saturated crystalline rock. The results showed that for the two assumed repository settings, the dominant mechanism of changes in rock permeability was thermal-mechanically-induced closure (reduced aperture) of vertical fractures, caused by thermal stress resulting from repository-wide heating of the rock mass. The magnitude of thermal-mechanically-induced changes in permeability was more substantial in the case of an emplacement drift located in a relatively shallow, low-stress environment where the rock is more compliant, allowing more substantial fracture closure during thermal stressing. However, in both of the assumed repository settings in this study, the thermal-mechanically-induced changes in permeability caused relatively small changes in the flow field, with most changes occurring in the vicinity of the emplacement drifts.

  9. Phosphorus removal and recovery from domestic wastewater in a novel process of enhanced biological phosphorus removal coupled with crystallization.

    PubMed

    Zou, Haiming; Wang, Yan

    2016-07-01

    A new process of enhanced biological phosphorus removal coupled with crystallization recovery of phosphorus was developed here, where the feasibility of nutrients removal and potential for phosphorus recovery from domestic wastewater was further assessed. Results showed that an excellent nutrients removal and phosphorus recovery performance was achieved, in which the averaged COD, PO4(3-)-P and NO3(-)-N removal efficiencies were 82.6%, 87.5% and 91.6%, respectively and a total of 59.3% of phosphorus was recovered as hydroxyapatite. What's more, crystallization recovery of phosphorus greatly enhanced the biological phosphorus removal efficiency. After the incorporation of the phosphorus recovery column via side-stream, the phosphorus concentration of effluent was significantly decreased ranging from 1.24mg/L to 0.85mg/L, 0.52mg/L and 0.41mg/L at the lateral flow ratios of 0, 0.1, 0.2 and 0.3, respectively. The results obtained here would be beneficial to provide a prospective alternative for phosphorus removal and recovery from wastewater. PMID:27003794

  10. Characterization of low temperature graphene synthesis in inductively coupled plasma chemical vapor deposition process with optical emission spectroscopy.

    PubMed

    Ma, Yifei; Kim, Daekyoung; Jang, Haegyu; Cho, Sung Min; Chae, Heeyeop

    2014-12-01

    Low-temperature graphene was synthesized at 400 degrees C with inductively coupled plasma chemical vapor deposition (PECVD) process. The effects of plasma power and flow rate of various carbon containing precursors and hydrogen on graphene properties were investigated with optical emission spectroscopy (OES). Various radicals monitored by OES were correlated with graphene film properties such as sheet resistance, I(D)/I(G) ratio of Raman spectra and transparency. C2H2 was used as a main precursor and the increase of plasma power enhanced intensity of carbon (C2) radical OES intensity in plasma, reduced sheet resistance and increased transparency of graphene films. The reduced flow rate of C2H2 decreased sheet resistance and increased transparency of graphene films in the range of this study. H2 addition was found to increase sheet resistance, transparency and attributed to reduction of graphene grain and etching graphene layers. OES analysis showed that C2 radicals contribute to graphite networking and sheet resistance reduction. TEM and AFM were applied to provide credible information that graphene had been successfully grown at low temperature. PMID:25971011

  11. A Coupled GCM-Cloud Resolving Modeling System, and A Regional Scale Model to Study Precipitation Processes

    NASA Technical Reports Server (NTRS)

    Tao, Wei-Kuo

    2006-01-01

    Recent GEWEX Cloud System Study (GCSS) model comparison projects have indicated that cloud-resolving models (CRMs) agree with observations better than traditional single-column models in simulating various types of clouds and cloud systems from different geographic locations. Current and future NASA satellite programs can provide cloud, precipitation, aerosol and other data at very fine spatial and temporal scales. It requires a coupled global circulation model (GCM) and cloud-scale model (termed a super-parameterization or multi-scale modeling framework, MMF) to use these satellite data to improve the understanding of the physical processes that are responsible for the variation in global and regional climate and hydrological systems. The use of a GCM will enable global coverage, and the use of a CRM will allow for better and more sophisticated physical parameterization. NASA satellite and field campaign cloud related datasets can provide initial conditions as well as validation for both the MMF and CRMs. The Goddard MMF is based on the 2D Goddard Cumulus Ensemble (GCE) model and the Goddard finite volume general circulation model (fvGCM), and it has started production runs with two years results (1 998 and 1999).

  12. The coupled moisture-heat process of permafrost around a thermokarst pond in Qinghai-Tibet Plateau under global warming

    NASA Astrophysics Data System (ADS)

    Li, Shuangyang; Zhan, Hongbin; Lai, Yuanming; Sun, Zhizhong; Pei, Wansheng

    2014-04-01

    Due to environmental disturbances such as local human activity and global warming, melting of massive ground ice has resulted in thermokarst ponds, which are extensively distributed in the Qinghai-Tibet Plateau (QTP). Besides the global warming, the thermokarst pond, as a major heat source, speeds up the moisture change and degradation of its surrounding permafrost. To analyze the long-term coupled moisture-heat process near a representative nonpenetrative thermokarst pond in a permafrost region, abundant temperature data over multiple years at different depths and horizontal distances from the center of the thermokarst pond have been collected at a field experimental station in QTP. A numerical model is built to analyze this thermokarst pond. The temperature and moisture processes of surrounding permafrost are simulated by this model and compared with measured temperature data. Our results show that if the rate of air temperature rise is 0.048°C/yr, which refers to a 2.4°C temperature rise over 50 years, the thawing fronts underneath the thermokarst pond move downward at a linear rate of 0.18 m/yr and the permafrost beneath the pond center would disappear after the year of 2281. Beyond that time, the impact range of the pond on the natural ground increases to about 50 m in horizontal direction. So a dish-shape thawing zone occurs around the thermokarst pond. Simultaneously, the moisture state is greatly changed in 2281 and becomes completely different from that in 2013. All of these would inevitably deteriorate the ecological and environmental system in QTP.

  13. An efficient proton-coupled electron-transfer process during oxidation of ferulic acid by horseradish peroxidase: coming full cycle.

    PubMed

    Derat, Etienne; Shaik, Sason

    2006-10-25

    Quantum mechanics/molecular mechanics calculations were utilized to study the process of oxidation of a native substrate (ferulic acid) by the active species of horseradish peroxidase (Dunford, H. B. Heme Peroxidases; Wiley-VCH: New York, 1999), Compound I and Compound II, and the manner by which the enzyme returns to its resting state. The results match experimental findings and reveal additional novel features. The calculations demonstrate that both oxidation processes are initiated by a proton-coupled electron-transfer (PCET) step, in which the active species of the enzyme participate only as electron-transfer partners, while the entire proton-transfer event is being relayed from the substrate to and from the His42 residue by a water molecule (W402). The reason for the observed (Henriksen, A; Smith, A. T.; Gajhede, M. J. Biol. Chem. 1999, 274, 35005-35011) similar reactivities of Compound I and Compound II toward ferulic acid is that the reactive isomer of Compound II is the, hitherto unobserved, Por(*)(+)Fe(III)OH isomer that resembles Compound I. The PCET mechanism reveals that His42 and W402 are crucial moieties and they determine the function of the HRP enzyme and account for its ability to perform substrate oxidation (Poulos, T. L. Peroxidases and Cytochrome P450. In The Porphyrin Handbook; Kadish, K. M., Smith, K. M., Guilard, R., Eds.; Academic Press: New York, 2000; Vol. 4, pp 189). In view of the results, the possibility of manipulating substrate oxidation by magnetic fields is an intriguing possibility. PMID:17044722

  14. Comprehensive View of the Human Mating Process Among Young Couples in Isfahan-Iran: An Explanatory Mixed-Method Study

    PubMed Central

    Merghati Khoei, Effat; Ziaei, Tayebe; Salehi, Mehrdad; Farajzadegan, Ziba

    2013-01-01

    Background: Heterosexual relationship is the main component of mate selection. Regardless of the importance of mate favorites, little is known about exact valued criteria in potential mates. Objectives: This study was designed to comprehensively explain the theoretical view of the human mating process. Materials and Methods: This was as an explanatory mixed–method study. The first phase was a cross-sectional quantitative study with two Farsi-modified versions of instruments: preferences concerning potential mates and factors of choosing a mate; content analysis was the second phase. The quantitative phase of this study consisted of 202 dating couples, decided to get married. The qualitative phase consisted of 28 participants who acquired the extreme scores (highest and lowest) in the first phase. Results: Average age of marriage for women and men was 23.04 and 26.41 respectively; the actual age difference was 3.37 years (women younger than men). The results of this study in support of evolution-based theory explained that, age is a preference and choosing an older husband and a younger wife is due to having reproductive capacity. Also, they mentioned that appearance is necessary for men because of sexual attraction, not as a prediction for the next generation appearance. In both phases of this study, both genders had a strong emphasis on “chastity” in a potential mate. Results showed that, men preferred a mate who was a good housewife, capable of cooking, and women preferred a mate with “Good earning capacity”, “Good financial prospect” “university education”, “Favorable social status” and “Industriousness”. Conclusions: The results confirmed that for a comprehensive view in human mating process, we need a combined theoretical approach as well as qualitative and quantitative study to explore the real meaning of each preference in a mate. PMID:24693380

  15. Experimental Investigation of Fracture Aperture Evolution Under Coupled Thermo-Hydro-Mechanical-Chemical Processes Encountered in Enhanced Geyhermal Systems

    NASA Astrophysics Data System (ADS)

    Ghazanfari, E.

    2015-12-01

    The success and sustainability of an Enhance Gethermal System (EGS) reservoir depends strongly on the permeability of its fracture network. Several processes affect the permeability of the system, including thermo, hydro, mechanical and chemical processes. These processes interact with one another temporally and contribute to the evolution of permeability within an EGS reservoir during normal operation. This study attempts to experimentally investigate the fracture aperture evolution under coupled processes in EGS reservoir. Granite specimens extracted from the Barre Granite quarry (Barre, Vermont) were used in the experiments. The artificially fractured core rock specimens were scanned using X-Ray Micro- CT and steady-state flow-through experiments were performed on the fractured specimens using high pressure/temperature servo-hydraulic operated system (Autolab 1500). The rock specimens were subjected to 30 MPa of confining pressure and 5 MPa of static internal pore pressure and Temperature of 120 °C. After 24 hours of equilibration, the flow of deionized water was initiated through the artificial fracture at a rate of 0.000351 ml/min for 40 days, during which effluent samples were collected for ICP-MS analysis and fracture permeability was monitored using upstream and downstream pore pressures. Upon termination of the experiments, the core rocks were scanned again to investigate the changes in fracture aperture and dissolution/precipitation of minerals at different sections of the core rock. The experimental results demonstrated that fracture surface asperities initially prop the fracture open, but upon introduction to deionized water, the asperities dissolve and the fracture aperture closes, resulting in decreased permeability. In most experiments, fracture aperture decreased steadily with the presumed dissolution of fracture surface asperities up to 30 days and then a decrease of upstream pore pressure was observed, which might be explained by etching

  16. A progress report for the large block test of the coupled thermal-mechanical-hydrological-chemical processes

    SciTech Connect

    Lin, W.; Wilder, D.G.; Blink, J.

    1994-10-01

    This is a progress report on the Large Block Test (LBT) project. The purpose of the LBT is to study some of the coupled thermal-mechanical-hydrological-chemical (TMHC) processes in the near field of a nuclear waste repository under controlled boundary conditions. To do so, a large block of Topopah Spring tuff will be heated from within for about 4 to 6 months, then cooled down for about the same duration. Instruments to measure temperature, moisture content, stress, displacement, and chemical changes will be installed in three directions in the block. Meanwhile, laboratory tests will be conducted on small blocks to investigate individual thermal-mechanical, thermal-hydrological, and thermal-chemical processes. The fractures in the large block will be characterized from five exposed surfaces. The minerals on fracture surfaces will be studied before and after the test. The results from the LBT will be useful for testing and building confidence in models that will be used to predict TMHC processes in a repository. The boundary conditions to be controlled on the block include zero moisture flux and zero heat flux on the sides, constant temperature on the top, and constant stress on the outside surfaces of the block. To control these boundary conditions, a load-retaining frame is required. A 3 x 3 x 4.5 m block of Topopah Spring tuff has been isolated on the outcrop at Fran Ridge, Nevada Test Site. Pre-test model calculations indicate that a permeability of at least 10{sup -15} m{sup 2} is required so that a dryout zone can be created within a practical time frame when the block is heated from within. Neutron logging was conducted in some of the vertical holes to estimate the initial moisture content of the block. It was found that about 60 to 80% of the pore volume of the block is saturated with water. Cores from the vertical holes have been used to map the fractures and to determine the properties of the rock. A current schedule is included in the report.

  17. Pilot-scale study on nitrogen and aromatic compounds removal in printing and dyeing wastewater by reinforced hydrolysis-denitrification coupling process and its microbial community analysis.

    PubMed

    Li, Chao; Ren, Hongqiang; Yin, Erqin; Tang, Siyuan; Li, Yi; Cao, Jiashun

    2015-06-01

    Aiming to efficiently dispose printing and dyeing wastewater with "high organic nitrogen and aromatic compounds, but low carbon source quality", the reinforced anaerobic hydrolysis-denitrification coupling process, based on improved UASB reactors and segregated collection-disposition strategy, was designed and applied at the pilot scale. Results showed that the coupling process displayed efficient removal for these two kinds of pollutants (nitrogen and aromatics), since the concentration of NH3-N (shortened as ρ (NH3-N)) < 8 mg/L, ρ (TN) < 15 mg/L with long-term stability for the effluent, and both species and abundances of aromatics reduced greatly by UASBs according to GC-MS. Microbial community analysis by PCR-DGGE showed that Bacteroidetes and Alphaproteobacteria were the dominant communities in the bioreactors and some kinds of VFAs-producing, denitrifying and aromatic ring opening microorganisms were discovered. Further, the nirK and bcrA genes quantification also indicated the coupling process owned outstanding denitrification and aromatic compound-degrading potential, which demonstrates that the coupling process owns admirable applicability for this kind of wastewater treatment.

  18. Simulation of Coupled Processes of Flow, Transport, and Storage of CO2 in Saline Aquifers

    SciTech Connect

    Wu, Yu-Shu; Chen, Zizhong; Kazemi, Hossein; Yin, Xiaolong; Pruess, Karsten; Oldenburg, Curt; Winterfeld, Philip; Zhang, Ronglei

    2014-09-30

    This report is the final scientific one for the award DE- FE0000988 entitled “Simulation of Coupled Processes of Flow, Transport, and Storage of CO2 in Saline Aquifers.” The work has been divided into six tasks. In task, “Development of a Three-Phase Non-Isothermal CO2 Flow Module,” we developed a fluid property module for brine-CO2 mixtures designed to handle all possible phase combinations of aqueous phase, sub-critical liquid and gaseous CO2, supercritical CO2, and solid salt. The thermodynamic and thermophysical properties of brine-CO2 mixtures (density, viscosity, and specific enthalpy of fluid phases; partitioning of mass components among the different phases) use the same correlations as an earlier fluid property module that does not distinguish between gaseous and liquid CO2-rich phases. We verified the fluid property module using two leakage scenarios, one that involves CO2 migration up a blind fault and subsequent accumulation in a secondary “parasitic” reservoir at shallower depth, and another investigating leakage of CO2 from a deep storage reservoir along a vertical fault zone. In task, “Development of a Rock Mechanical Module,” we developed a massively parallel reservoir simulator for modeling THM processes in porous media brine aquifers. We derived, from the fundamental equations describing deformation of porous elastic media, a momentum conservation equation relating mean stress, pressure, and temperature, and incorporated it alongside the mass and energy conservation equations from the TOUGH2 formulation, the starting point for the simulator. In addition, rock properties, namely permeability and porosity, are functions of effective stress and other variables that are obtained from the literature. We verified the simulator formulation and numerical implementation using analytical solutions and example problems from the literature. For

  19. Rearrangement of stresses in fault zones - detecting major issues of coupled hydraulic-mechanical processes with relevance to geothermal applications

    NASA Astrophysics Data System (ADS)

    Ziefle, G.

    2014-09-01

    The South German Molasse Basin provides favourable conditions for geothermal plants. Nevertheless, micro-seismic events occur in the vicinity of the geothermal Unterhaching Gt2 well and seem to be caused by the geothermal plant. The injection and production are located in an existing fault system. The majority of seismic events takes place at a horizontal distance of 500 m or less of the borehole. However, none of the seismic events are located in the injection reservoir but in fact at a significantly greater depth. A deeper process understanding of the interacting thermal-hydraulic-mechanical effects in the vicinity of the well is desired. This article presents a significantly simplified 2-D model, investigating interactions of the stress field in the vicinity of the geothermal well and movements in the fault system. This might be of special interest, as the operation of the geothermal plant might lead to changes in the material and fracture properties on the one hand and in the equilibrium state on the other. A detailed description of the model, as well as various parameter studies, is presented. It can be seen that boundary conditions such as direction of the stress field in relation to the fault system, geometry of the fault system and parameters of the fractures have a significant influence on stresses in the proximity of the geothermal well. A variation in the spatial stress field in some parts of the fault system is to be expected. For the chosen assumptions the dimension of this variation is about 25% of the assumed stresses. Future work on this model might focus on the characteristics of the fault system, as well as on the influence of the coupled thermal-hydraulic-mechanical effects.

  20. A Natural Analogue for Thermal-Hydrological-Chemical Coupled Processes at the Proposed Nuclear Waste Repository at Yucca Mountain, Nevada

    SciTech Connect

    Bill Carey; Gordon Keating; Peter C. Lichtner

    1999-08-01

    Dike and sill complexes that intruded tuffaceous host rocks above the water table are suggested as natural analogues for thermal-hydrologic-chemical (THC) processes at the proposed nuclear waste repository at Yucca Mountain, Nevada. Scoping thermal-hydrologic calculations of temperature and saturation profiles surrounding a 30-50 m wide intrusion suggest that boiling conditions could be sustained at distances of tens of meters from the intrusion for several thousand years. This time scale for persistence of boiling is similar to that expected for the Yucca Mountain repository with moderate heat loading. By studying the hydrothermal alteration of the tuff host rocks surrounding the intrusions, insight and relevant data can be obtained that apply directly to the Yucca Mountain repository and can shed light on the extent and type of alteration that should be expected. Such data are needed to bound and constrain model parameters used in THC simulations of the effect of heat produced by the waste on the host rock and to provide a firm foundation for assessing overall repository performance. One example of a possible natural analogue for the repository is the Paiute Ridge intrusive complex located on the northeastern boundary of the Nevada Test Site, Nye County, Nevada. The complex consists of dikes and sills intruded into a partially saturated tuffaceous host rock that has stratigraphic sequences that correlate with those found at Yucca Mountain. The intrusions were emplaced at a depth of several hundred meters below the surface, similar to the depth of the proposed repository. The tuffaceous host rock surrounding the intrusions is hydrothermally altered to varying extents depending on the distance from the intrusions. The Paiute Ridge intrusive complex thus appears to be an ideal natural analogue of THC coupled processes associated with the Yucca Mountain repository. It could provide much needed physical and chemical data for understanding the influence of heat

  1. Fundamental studies of the plasma extraction and ion beam formation processes in inductively coupled plasma mass spectrometry

    SciTech Connect

    Niu, Hongsen

    1995-02-10

    The fundamental and practical aspects are described for extracting ions from atmospheric pressure plasma sources into an analytical mass spectrometer. Methodologies and basic concepts of inductively coupled plasma mass spectrometry (ICP-MS) are emphasized in the discussion, including ion source, sampling interface, supersonic expansion, slumming process, ion optics and beam focusing, and vacuum considerations. Some new developments and innovative designs are introduced. The plasma extraction process in ICP-MS was investigated by Langmuir measurements in the region between the skimmer and first ion lens. Electron temperature (T{sub e}) is in the range 2000--11000 K and changes with probe position inside an aerosol gas flow. Electron density (n{sub e}) is in the range 10{sup 8}--10{sup 10} {sup {minus}cm }at the skimmer tip and drops abruptly to 10{sup 6}--10{sup 8} cm{sup {minus}3} near the skimmer tip and drops abruptly to 10{sup 6}--10{sup 8} cm{sup {minus}3} downstream further behind the skimmer. Electron density in the beam leaving the skimmer also depends on water loading and on the presence and mass of matrix elements. Axially resolved distributions of electron number-density and electron temperature were obtained to characterize the ion beam at a variety of plasma operating conditions. The electron density dropped by a factor of 101 along the centerline between the sampler and skimmer cones in the first stage and continued to drop by factors of 10{sup 4}--10{sup 5} downstream of skimmer to the entrance of ion lens. The electron density in the beam expansion behind sampler cone exhibited a 1/z{sup 2} intensity fall-off (z is the axial position). An second beam expansion originated from the skimmer entrance, and the beam flow underwent with another 1/z{sup 2} fall-off behind the skimmer. Skimmer interactions play an important role in plasma extraction in the ICP-MS instrument.

  2. Total Synthesis of Macrocarpines D and E via an Enolate-Driven Copper-Mediated Cross-Coupling Process: Replacement of Catalytic Palladium with Copper Iodide.

    PubMed

    Rahman, M Toufiqur; Deschamps, Jeffrey R; Imler, Gregory H; Schwabacher, Alan W; Cook, James M

    2016-09-01

    An enolate driven copper-mediated cross-coupling process enabled cheaper and greener access to the key pentacyclic intermediates required for the enantiospecific total synthesis of a number of C-19 methyl substituted sarpagine/macroline indole alkaloids. Replacement of palladium (60-68%) with copper iodide (82-89%) resulted in much higher yields. The formation of an unusual 7-membered cross-coupling product was completely inhibited by using TEMPO as a radical scavenger. Further functionalization led to the first enantiospecific total synthesis of macrocarpines D and E. PMID:27526647

  3. A self-consistent synthesis description of magnetosphere-ionosphere coupling and scale-dependent auroral process using shear Alfvén wave

    NASA Astrophysics Data System (ADS)

    Yoshikawa, A.; Amm, O.; Vanhamäki, H.; Fujii, R.

    2011-08-01

    In order to correctly describe the dynamical behavior of the magnetosphere-ionosphere (MI) coupling system and the scale-dependent auroral process, we develop a synthesis formulation that combines the process of (1) the inverse Walen separation of MHD disturbance into parallel- and antiparallel-propagating shear Alfvén wave to the ambient magnetic field, (2) the shear Alfvén wave reflection process including (3) the scale-dependent electrostatic coupling process through the linearized Knight relation, (4) two-layer ionosphere model, and (5) dynamic conductance variations. A novel procedure that applies the inverse Walen relation to the incompressional MHD disturbances at the inner boundary of the MHD region enables to extract the component of the shear Alfvén wave incident to the ionosphere. The extracted incident electric field supplies an electromotive force for the generation of the MI coupling system, and the reflected electric field is generated such that it totally satisfies the synthesis MI-coupling equation. A three-dimensional ionospheric current system is represented by a two-layer model in which the Pedersen and the Hall current are confined in the separated layers, which are connected by field-aligned currents driven by the linear current-voltage relation between two layers. Hence, our scheme possibly reproduces two types of the scale-dependent MI-decoupling process of the perpendicular potential structure: due to the parallel potential drop at the auroral acceleration region and the other due to the parallel potential differences inside the ionosphere. Our newly formulation may be well suited for description of scale-dependent auroral process and mesoscale ionospheric electrodynamics interlocked with the dynamical development of magnetospheric processes.

  4. Process simulation for a new conceptual design of LNG terminal coupling NGL recovery and LNG re-gasification for maximum energy savings

    NASA Astrophysics Data System (ADS)

    Muqeet, Mohammed A.

    With the high demands of shale gas and promising development of LNG terminals, a lot of research has focused towards the process development for effective recovery of C2+ hydrocarbons (NGL). Shale gas requires a large amount of cold energy to cool down and recover the NGL; and the LNG re-gasification process requires a lot of heat energy to evaporate for NGL recovery. Thus, coupling the shale gas NGL recovery process and LNG re-gasification process, for utilizing the cold energy from LNG re-gasification process to assist NGL recovery from shale gas has significant economic benefits on both energy saving and high value product recovery. Wang et al. developed new conceptual design of such coupled process in 2013 and later Wang and Xu developed an optimal design considering uncertainties in 2014. This work deals with process simulation of both these designs and the feasibility of the process is verified. A steady state model is developed based on the plant design proposed by Wang et al. using Aspen plusRTM and then a dynamic model of the process is developed using Aspen dynamicsRTM. An effective control strategy is developed and the flexibility of the dynamic model is examined by giving disturbances in the shale gas feed. A comparison is made between the two proposed design and the prospects of the design for real plant scenario is discussed.

  5. Interface-coupled dissolution-precipitation processes allow a photonic crystal to replace an ionic crystal along lattice planes

    NASA Astrophysics Data System (ADS)

    Liesegang, Moritz; Milke, Ralf

    2015-04-01

    of fossil shells replaced by opal-A reveals clues for the understanding of structural and chemical reorganization mechanisms behind silica pseudomorphism. Fundamental knowledge about the highly selective replacement process is absent so far, impeding an adequate interpretation of the observations. The replacement of calcitic shells by amorphous silica spheres (~300 nm in size) is a unique example for the transformation of an ionic to a photonic crystal accompanied by a large size contrast of ions and spheres, respectively, but preserving lattice planes. The observed replication of polysynthetic twinning and cleavage planes of calcite by opal-A spheres indicates that silicification occurs via dissolution of shell material and immediate precipitation of amorphous silica. This follows the interface-coupled dissolution-precipitation mechanism model (Putnis and Putnis, 2007), but requires some modification to allow for open space necessary to form spheres in the 100s-nm size range with a core-shell structure. While sphere growth by a gravitational ordering process is implausible, we assume that the ordered array of monodisperse spheres forms via layer-by-layer deposition. References: Putnis A. and Putnis C.V. (2007), J. Solid State Chem., 180, 1783-1786

  6. Autonomous Studies of Coupled Physical-Biogeochemical Processes- Lessons from NAB08 and Prospects for the Future

    NASA Astrophysics Data System (ADS)

    Lee, Craig; D'Asaro, Eric; Perry, Mary Jane

    2013-04-01

    Motivated by the increasing application of autonomous sensors to physical, biological and biogeochemical investigations at the submesoscale, we examine techniques developed during the 2008 North Atlantic Bloom Experiment (NAB08), review successes, failures, and lessons learned, and offer perspectives on how these approaches might evolve in response to near-term shifts in scientific goals and technological advances. NAB08 exploited the persistence of autonomous platforms coupled with the extensive capabilities of a ship-based sampling program to investigate the patch-scale physics, biogeochemistry and community dynamics of a spring phytoplankton bloom. Autonomous platforms (Seagliders following a heavily-instrumented Lagrangian float) collected measurements in a quasi-Lagrangian frame, beginning before bloom initiation and extending well past its demise. This system of autonomous instruments resolved variability at the patch scale while also providing the persistence needed to follow bloom evolution. Biological and biogeochemical measurements were conducted from R/V Knorr during the bloom. An aggressive protocol for sensor calibration and proxy building bridged the ship-based and autonomous efforts, leveraging the intensive but sparse ship-based measurements onto the much more numerous autonomous observations. The combination of sampling in the patch-following frame, persistent, autonomous surveys and focused, aggressive calibration and proxy building produced robust, quantitative estimates of physical and biogeochemical processes. For example, budgets of nitrate, dissolved oxygen and particulate organic carbon (POC) following the patch were used to estimate net community production (NCP) and apparent POC export. Net community production was 805 mmol C?m-2 during the main bloom, with apparent POC export of 564 mmol C?m-2 and 282 mmol C?m-2 lost due to net respiration (70%) and apparent export (30%) on the day following bloom termination. Thus, POC export of roughly

  7. Implications for post-comminution processes in subglacial suspended sediment using coupled radiogenic strontium and neodymium isotopes

    NASA Astrophysics Data System (ADS)

    Clinger, Anna E.; Aciego, Sarah M.; Stevenson, Emily I.; Arendt, Carli A.; Robbins, Mark J.

    2016-04-01

    Enhanced physical weathering rates in subglacial systems promote high levels of comminution, transport, and deposition of fine-grained sediment within the subglacial drainage network. The impact of shifts in sediment loads from variations in meltwater flux, and their effects on downstream ecosystems, remains poorly quantified and places a fundamental importance on our ability to characterize subglacial depositional environments. Here, for the first time, we assess the seasonal evolution of the subglacial suspended sediment using coupled radiogenic strontium (87Sr/86Sr) and neodymium (143Nd/144Nd) isotopic ratios with elemental ratios and in situ measurements. Weathering rates in fluvial and riverine systems have been traditionally assessed using radiogenic isotopic tracers: 143Nd/144Nd ratios relate to the crustal age whereas 87Sr/86Sr ratios relate to age and preferential mineral dissolution. Thus relative shifts in these ratios will allow us to characterize distinct sediment transport networks. We apply this technique to the Lemon Creek Glacier (LCG), Alaska, USA, and to the Athabasca Glacier (AG), Alberta, CA. At the LCG, the 143Nd/144Nd values range from εNd of - 4.6 (0.9) to - 8.7 (0.2), which suggests a poorly mixed sediment flux. However, the greatest period of variability may correlate with the drainage of a supraglacial lake and suggests caution should be exerted in time-scale 143Nd/144Nd provenance studies that may be affected by climatic disturbances. In contrast, limited variation is observed within the AG 143Nd/144Nd seasonal record. A consistent, direct relation between the Rb/Sr elemental ratio and the 87Sr/86Sr ratio proves interesting as it enables us to unravel incongruent weathering trends in the radiogenic Sr record. Correlation between the 87Sr/86Sr and total discharge suggests that the process is partially controlled by mantling of the bedrock, which can be detected using post-comminution ages. While the subglacial structure may be enabled by

  8. Aggregate-scale spatial heterogeneity in reductive transformation of ferrihydrite resulting from coupled biogeochemical and physical processes

    NASA Astrophysics Data System (ADS)

    Pallud, C.; Masue-Slowey, Y.; Fendorf, S.

    2010-05-01

    Iron (hydr)oxides are ubiquitous in soils and sediments and play a dominant role in the geochemistry of surface and subsurface environments. Their fate depends on local environmental conditions, which in structured soils may vary significantly over short distances due to mass-transfer limitations on solute delivery and metabolite removal. In the present study, artificial soil aggregates were used to investigate the coupling of physical and biogeochemical processes affecting the spatial distribution of iron (Fe) phases resulting from reductive transformation of ferrihydrite. Spherical aggregates made of ferrihydrite-coated sand were inoculated with the dissimilatory Fe-reducing bacterium Shewanella putrefaciens strain CN-32, and placed into a flow reactor, the reaction cell simulates a diffusion-dominated soil aggregate surrounded by an advective flow domain. The spatial and temporal evolution of secondary mineralization products resulting from dissimilatory Fe reduction of ferrihydrite were followed within the aggregates in response to a range of flow rates and lactate concentrations. Strong radial variations in the distribution of secondary phases were observed owing to diffusively controlled delivery of lactate and efflux of Fe(II) and bicarbonate. In the aggregate cortex, only limited formation of secondary Fe phases were observed over 30 d of reaction, despite high rates of ferrihydrite reduction. Under all flow conditions tested, ferrihydrite transformation was limited in the cortex (70-85 mol.% Fe remained as ferrihydrite) because metabolites such as Fe(II) and bicarbonate were efficiently removed in outflow solutes. In contrast, within the inner fractions of the aggregate, limited mass-transfer results in metabolite (Fe(II) and bicarbonate) build-up and the consummate transformation of ferrihydrite - only 15-40 mol.% Fe remained as ferrihydrite after 30 d of reaction. Goethite/lepidocrocite, and minor amounts of magnetite, formed in the aggregate mid

  9. Estimates of Z' couplings within data on the AF B for Drell-Yan process at the LHC at √{s }=7 and 8 TeV

    NASA Astrophysics Data System (ADS)

    Pevzner, A.; Skalozub, V.

    2016-07-01

    A model-independent search for the Abelian Z' gauge boson in the Drell-Yan process at the LHC at √{s }=7 and 8 TeV is fulfilled. Estimations of the Z' axial-vector coupling af2 to the standard model fermions, the couplings of the axial vector to lepton vector currents afvl, and the couplings of the axial vector to quark vector currents afvq are derived within data on the forward-backward asymmetry presented by the CMS Collaboration. The analysis takes into consideration the behavior of the differential cross section, which exhibits itself if the derived already special relations between the couplings proper to the renormalizable theories are accounted for. In particular, they hold in all the models of Abelian Z' usually considered in the model-dependent analysis of the LHC data. The coupling values are estimated at ˜92 % confidence level by means of the maximum likelihood function. They weakly depend on the Z' mass in the investigated interval 1.2 TeV

  10. Modeling Hydrological Processes with a Fully-Coupled Atmospheric-Hydrological Modeling System for the Poyang Lake Basin, China

    NASA Astrophysics Data System (ADS)

    Wagner, S.; Fersch, B.; Yu, Z.; Yuan, F.; Kunstmann, H.

    2015-12-01

    For a rational quantification of past, current and future water availability, the feedback mechanisms among atmosphere, land surface and subsurface play a crucial role. Investigations of these feedback mechanisms require coupled atmospheric-hydrological modeling systems. Investigations of climate and land use changes on the regional water balance require model systems, which describe the feedback mechanisms between groundwater-, soil moisture dynamics and precipitation and which allow long-term simulations for climate-relevant scales. We have developed such a fully-coupled, meso-scale modeling system extending the atmospheric model WRF-ARW with the hydrological model HMS, which includes lateral water fluxes at the land surface and subsurface. In addition, two-way interaction between the saturated and the unsaturated zone is implemented by replacing the free drainage bottom boundary of the Noah Land Surface Model (LSM) with two approaches, a Fixed-head boundary condition assuming an equilibrium soil moisture distribution or a Darcy-flux at the boundary assuming a quasi-steady-state moisture profile below the LSM. The computational demand of this coupled model system allows long-term simulations. The first application of the fully-coupled modeling system is for the Poyang Lake basin (160,000 km²) in South China for the years 1979-1986. The performance of fully-coupled simulations requires first rational setups of WRF and HMS. For WRF, a double-nesting approach is applied covering East Asia at 30 km resolution and the Poyang Lake basin at 10 km using ERA Interim data as global forcing. HMS simulations are performed on the 10 km grid. Simulation results are validated against CRU, GPCC, APHRODITE, CPC, GLEAM and streamflow observations. The performance of stand-alone WRF, HMS and the fully coupled simulations are shown. Furthermore, the impact of groundwater coupling on soil moisture, evapotranspiration, temperature and precipitation is investigated. The potential of

  11. Coupled Geochemical and Hydrological Processes Governing the Fate and Transport of Radionuclides and Toxic Metals Beneath the Hanford Tank Farms

    SciTech Connect

    Scott Fendorf; Phil Jardine

    2006-07-21

    The goal of this research was to provide an improved understanding and predictive capability of coupled hydrological and geochemical mechanisms that are responsible for the accelerated migration and immobilization of radionuclides and toxic metals in the badose zone beneath the Hanford Tank Farms.

  12. The Effect of Temperature and Carbon to Hematite Ratio on the Formation of Cementite During the Couple of STMA and Partial Melting Processes

    NASA Astrophysics Data System (ADS)

    Soleymani, Amir Peyman; Panjepour, Masoud; Meratian, Mahmood

    2016-04-01

    In this research, the role of the couple of simultaneous thermal-mechanical activation (STMA) and partial melting (PM) processes in the carbothermic reduction of hematite and cementite formation was studied. For this purpose, the STMA process was performed for 6 hours at 1073 K (800 °C) on the mixture of hematite and graphite with stoichiometry ratio (22 wt pct C) in argon atmosphere in the first stage, and then this process was coupled to the PM process at 1453 K (1180 °C) for 25 minutes. The results obtained showed that the percentage of cementite phase in the product of the STMA process was only about 24 wt pct and after carrying out the PM process, this value reached 77 wt pct in the final product. In the second stage, the effect of the ratio of the parameters of carbon to hematite on the initial mixture (1:1, 1:25, and 1:5 times the stoichiometry ratio) and STMA process temperature [1073 K, 1123 K, and 1173 K (800 °C, 850 °C, and 900 °C)] was studied. The results were indicative of the fact that by an increase in the ratio of carbon to hematite and at STMA temperature, the percentage of cementite in the final product obtained from the PM process significantly increased. In fact, the specimens obtained from the couple of the STMA and PM processes with a carbon to hematite ratio of 1.5:1 at 1073 K (800 °C) and that of 1.25:1 at 1173 K (900 °C) showed the greatest percentage of cementite. The mechanism regarding the processes showed that by controlling the amount and manner of free carbon distribution in the STMA product based on the parameters of the ratio of carbon to hematite and temperature, it was possible to obtain pure cementite. Therefore, the couple of STMA and PM processes can also be brought up as a new method in the production of pure cementite.

  13. Depression: The Differing Narratives of Couples in Couple Therapy

    ERIC Educational Resources Information Center

    Rautiainen, Eija-Liisa; Aaltonen, Jukka

    2010-01-01

    How does the spouse of a person with depression take part in constructing narratives of depression in couple therapy? In this study we examined couples' ways of co-constructing narratives of depression in couple therapy. Three couple therapy processes were chosen for the study, one spouse in each couple having been referred to an outpatient clinic…

  14. TOUGH2Biot - A simulator for coupled thermal-hydrodynamic-mechanical processes in subsurface flow systems: Application to CO2 geological storage and geothermal development

    NASA Astrophysics Data System (ADS)

    Lei, Hongwu; Xu, Tianfu; Jin, Guangrong

    2015-04-01

    Coupled thermal-hydrodynamic-mechanical processes have become increasingly important in studying the issues affecting subsurface flow systems, such as CO2 sequestration in deep saline aquifers and geothermal development. In this study, a mechanical module based on the extended Biot consolidation model was developed and incorporated into the well-established thermal-hydrodynamic simulator TOUGH2, resulting in an integrated numerical THM simulation program TOUGH2Biot. A finite element method was employed to discretize space for rock mechanical calculation and the Mohr-Coulomb failure criterion was used to determine if the rock undergoes shear-slip failure. Mechanics is partly coupled with the thermal-hydrodynamic processes and gives feedback to flow through stress-dependent porosity and permeability. TOUGH2Biot was verified against analytical solutions for the 1D Terzaghi consolidation and cooling-induced subsidence. TOUGH2Biot was applied to evaluate the thermal, hydrodynamic, and mechanical responses of CO2 geological sequestration at the Ordos CCS Demonstration Project, China and geothermal exploitation at the Geysers geothermal field, California. The results demonstrate that TOUGH2Biot is capable of analyzing change in pressure and temperature, displacement, stress, and potential shear-slip failure caused by large scale underground man-made activity in subsurface flow systems. TOUGH2Biot can also be easily extended for complex coupled process problems in fractured media and be conveniently updated to parallel versions on different platforms to take advantage of high-performance computing.

  15. Anomalous WW{gamma} coupling in photon-induced processes using forward detectors at the CERN LHC

    SciTech Connect

    Kepka, O.; Royon, C.

    2008-10-01

    We present a new method to test the standard model expectations at the LHC using photon-induced WW production. Both W decay in the main ATLAS or CMS detectors while scattered protons are measured in forward detectors. The sensitivity to anomalous WW{gamma} triple gauge coupling can be improved by more than a factor of 5 or 30 compared to the present LEP or Tevatron sensitivity, respectively.

  16. Reappraisal of nuclear quadrupole moments of atomic halogens via relativistic coupled cluster linear response theory for the ionization process.

    PubMed

    Chaudhuri, Rajat K; Chattopadhyay, Sudip; Mahapatra, Uttam Sinha

    2013-11-27

    The coupled cluster based linear response theory (CCLRT) with four-component relativistic spinors is employed to compute the electric field gradients (EFG) of (35)Cl, (79)Br, and (127)I nuclei. The EFGs resulting from these calculations are combined with experimental nuclear quadrupole coupling constants (NQCC) to determine the nuclear quadrupole moments (NQM), Q of the halide nuclei. Our estimated NQMs [(35)Cl = -81.12 mb, (79)Br = 307.98 mb, and (127)I = -688.22 mb] agree well with the new atomic values [(35)Cl = -81.1(1.2), (79)Br = 302(5), and (127)I = -680(10) mb] obtained via Fock space multireference coupled cluster method with the Dirac-Coulomb-Breit Hamiltonian. Although our estimated Q((79)Br) value deviates from the accepted reference value of 313(3) mb, it agrees well with the recently recommended value, Q((79)Br) = 308.7(20) mb. Good agreement with current reference data indicates the accuracy of the proposed value for these halogen nuclei and lends credence to the results obtained via CCLRT approach. The electron affinities yielded by this method with no extra cost are also in good agreement with experimental values, which bolster our belief that the NQMs values for halogen nuclei derived here are reliable.

  17. Enhancement of aerosol responses to changes in emissions over East Asia by gas-oxidant-aerosol coupling and detailed aerosol processes

    NASA Astrophysics Data System (ADS)

    Matsui, H.; Koike, M.

    2016-06-01

    We quantify the responses of aerosols to changes in emissions (sulfur dioxide, black carbon (BC), primary organic aerosol, nitrogen oxides (NOx), and volatile organic compounds) over East Asia by using simulations including gas-oxidant-aerosol coupling, organic aerosol (OA) formation, and BC aging processes. The responses of aerosols to NOx emissions are complex and are dramatically changed by simulating gas-phase chemistry and aerosol processes online. Reduction of NOx emissions by 50% causes a 30-40% reduction of oxidant (hydroxyl radical and ozone) concentrations and slows the formation of sulfate and OA by 20-30%. Because the response of OA to changes in NOx emissions is sensitive to the treatment of emission and oxidation of semivolatile and intermediate volatility organic compounds, reduction of the uncertainty in these processes is necessary to evaluate gas-oxidant-aerosol coupling accurately. Our simulations also show that the sensitivity of aerosols to changes in emissions is enhanced by 50-100% when OA formation and BC aging processes are resolved in the model. Sensitivity simulations show that the increase of NOx emissions from 1850 to 2000 explains 70% (40%) of the enhancement of aerosol mass concentrations (direct radiative effects) over East Asia during that period through enhancement of oxidant concentrations and that this estimation is sensitive to the representation of OA formation and BC aging processes. Our results demonstrate the importance of simultaneous simulation of gas-oxidant-aerosol coupling and detailed aerosol processes. The impact of NOx emissions on aerosol formation will be a key to formulating effective emission reduction strategies such as BC mitigation and aerosol reduction policies in East Asia.

  18. Impact of Scale-Dependent Coupled Processes on Solute Fate and Transport in the Critical Zone: Case Studies Involving Inorganic and Radioactive Contaminants

    NASA Astrophysics Data System (ADS)

    Jardine, P. M.; Gentry, R. W.

    2011-12-01

    Soil, the thin veneer of matter covering the Earths surface that supports a web of living diversity, is often abused through anthropogenic inputs of toxic waste. This subsurface regime, coupled with life sustaining surface water and groundwater is known as the "Critical Zone". The disposal of radioactive and toxic organic and inorganic waste generated by industry and various government agencies has historically involved shallow land burial or the use of surface impoundments in unsaturated soils and sediments. Presently, contaminated sites have been closing rapidly and many remediation strategies have chosen to leave contaminants in-place. As such, contaminants will continue to interact with the geosphere and investigations on long term changes and interactive processes is imperative to verify risks. In this presentation we provide a snap-shot of subsurface science research from the past 25 y that seeks to provide an improved understanding and predictive capability of multi-scale contaminant fate and transport processes in heterogeneous unsaturated and saturated environments. Investigations focus on coupled hydrological, geochemical, and microbial processes that control reactive contaminant transport and that involve multi-scale fundamental research ranging from the molecular scale (e.g. synchrotrons, electron sources, arrays) to in situ plume interrogation strategies at the macroscopic scale (e.g. geophysics, field biostimulation, coupled processes monitoring). We show how this fundamental research is used to provide multi-process, multi-scale predictive monitoring and modeling tools that can be used at contaminated sites to (1) inform and improve the technical basis for decision making, and (2) assess which sites are amenable to natural attenuation and which would benefit from source zone remedial intervention.

  19. A daily process examination of the temporal association between alcohol use and verbal and physical aggression in community couples.

    PubMed

    Testa, Maria; Derrick, Jaye L

    2014-03-01

    Alcohol use has been associated with intimate partner aggression perpetration and victimization; however, much of the evidence is based on survey research. Few studies have addressed the proximal effects of drinking episodes on the subsequent occurrence of partner aggression. The current study used daily diary methodology to consider the daily and temporal association between drinking episodes and episodes of partner verbal and physical aggression among a community sample of married and cohabiting couples (N = 118). Male and female partners each provided 56 days of independent daily reports of drinking and partner conflict episodes, including verbal and physical aggression, using interactive voice response technology. Dyadic data analyses, guided by the actor-partner interdependence model, were conducted using hierarchical generalized linear modeling with multivariate outcomes. Daily analyses revealed that alcohol consumption was associated with perpetration of verbal and physical aggression the same day, but not with victimization. Temporal analyses revealed that the likelihood of perpetrating verbal and physical aggression, and the likelihood of being verbally and physically victimized, increased significantly when alcohol was consumed in the previous four hours. Findings did not differ according to gender of perpetrator or victim, and the interaction between perpetrator and victim's alcohol use was not significant in any analysis. The study provides clear evidence that, within a sample of community couples without substance-use disorders or other psychopathology, alcohol consumption by men and women contributes to the occurrence of partner aggression episodes.

  20. Ensemble forecasts of monthly catchment rainfall out to long lead times by post-processing coupled general circulation model output

    NASA Astrophysics Data System (ADS)

    Schepen, Andrew; Wang, Q. J.

    2014-11-01

    Monthly streamflow forecasts with long lead time are being sought by water managers in Australia. In this study, we take a first step towards a monthly streamflow modelling approach by harnessing a coupled ocean-atmosphere general circulation model (CGCM) to produce monthly rainfall forecasts for three catchments across Australia. Bayesian methodologies are employed to produce forecasts based on CGCM raw rainfall forecasts and also CGCM sea surface temperature forecasts. The Schaake Shuffle is used to connect forecast ensemble members of individual months to form ensemble monthly time series forecasts. Monthly forecasts and three-monthly forecasts of rainfall are assessed for lead times of 0-6 months, based on leave-one-year-out cross-validation for 1980-2010. The approach is shown to produce well-calibrated ensemble forecasts that source skill from both the atmospheric and ocean modules of the CGCM. Although skill is generally low, moderate skill scores are observed in some catchments for lead times of up to 6 months. In months and catchments where there is limited skill, the forecasts revert to climatology. Thus the forecasts developed can be considered suitable for continuously forecasting time series of streamflow to long lead times, when coupled with a suitable monthly hydrological model.

  1. A daily process examination of the temporal association between alcohol use and verbal and physical aggression in community couples.

    PubMed

    Testa, Maria; Derrick, Jaye L

    2014-03-01

    Alcohol use has been associated with intimate partner aggression perpetration and victimization; however, much of the evidence is based on survey research. Few studies have addressed the proximal effects of drinking episodes on the subsequent occurrence of partner aggression. The current study used daily diary methodology to consider the daily and temporal association between drinking episodes and episodes of partner verbal and physical aggression among a community sample of married and cohabiting couples (N = 118). Male and female partners each provided 56 days of independent daily reports of drinking and partner conflict episodes, including verbal and physical aggression, using interactive voice response technology. Dyadic data analyses, guided by the actor-partner interdependence model, were conducted using hierarchical generalized linear modeling with multivariate outcomes. Daily analyses revealed that alcohol consumption was associated with perpetration of verbal and physical aggression the same day, but not with victimization. Temporal analyses revealed that the likelihood of perpetrating verbal and physical aggression, and the likelihood of being verbally and physically victimized, increased significantly when alcohol was consumed in the previous four hours. Findings did not differ according to gender of perpetrator or victim, and the interaction between perpetrator and victim's alcohol use was not significant in any analysis. The study provides clear evidence that, within a sample of community couples without substance-use disorders or other psychopathology, alcohol consumption by men and women contributes to the occurrence of partner aggression episodes. PMID:24341618

  2. The measurement of sucrose concentration by two-tapered all-fiber Mach-Zehnder interferometer employing different coupling structures and manufacture processes

    NASA Astrophysics Data System (ADS)

    Zhu, Yu-Sheng; Wang, Hsin-Wen; Hsu, Yi-Cheng

    2016-08-01

    The sucrose concentration measurement and characteristics of light coupling taper structure on sensitivity with various fabrication processes of taper structure for all-fiber Mach-Zehnder interferometer (AFMZI) are presented. Using fusion splicer with electrical discharge, the standard single-mode fiber is employed to be fabricated as conical coupling/decoupling taper structure. The basic two fabrication processes are designed as single fusion-stretching (SFS), multiple fusions without stretching (MF). The third advanced process is composed of SFS and multiple fusions without stretching processes, and called multiple fusions with single stretching (MFSS). Various types of coupling/decoupling taper structures were fabricated based on the three kinds of fabrication processes. The effects of geometry shape including taper waist, taper angle, and sensing length on sensing sensitivity of AFMZIs are estimated. The modifications of fiber core and cladding induced by thermal effect affect the refractive index distributions and shapes of taper structure. The effects of refractive index changes of fiber core and cladding on sensing sensitivity are also discussed. The AFMZI was tested by measuring aqueous sucrose solution of refractive index unit (RIU) from 1.333 to 1.420 RIU. The optical spectrums are measured by a spectrometer. The spectrum dip shifts and sensing sensitivity was measured and calculated, respectively. As shown in results, sensing sensitivities of AFMZIs of taper structure fabricated by MFSS and multiple fusions without stretching processing are generally higher than SFS. The reasons could be aimed on materials modification through thermal effect on blurring fiber core-cladding interface and proper taper angle of taper structure. The more homogeneous refractive index distribution on fiber core-cladding interface, the more detecting light power decoupled through core-cladding interface to interact with exterior environment and enhance the sensing sensitivity

  3. CLMT2 user's guide: A Coupled Model for Simulation of HydraulicProcesses from Canopy to Aquifer Version 1.0

    SciTech Connect

    Pan, Lehua

    2006-07-26

    CLMT2 is designed to simulate the land-surface andsubsurface hydrologic response to meteorological forcing. This modelcombines a state-of-the-art land-surface model, the NCAR Community LandModel version 3 (CLM3), with a variably saturated groundwater model, theTOUGH2, through an internal interface that includes flux and statevariables shared by the two submodels. Specifically, TOUGH2, in itssimulation, uses infiltration, evaporation, and root-uptake rates,calculated by CLM3, as source/sink terms; CLM3, in its simulation, usessaturation and capillary pressure profiles, calculated by TOUGH2, asstate variables. This new model, CLMT2, preserves the best aspects ofboth submodels: the state-of-the-art modeling capability of surfaceenergy and hydrologic processes from CLM3 (including snow, runoff,freezing/melting, evapotranspiration, radiation, and biophysiologicalprocesses) and the more realistic physical-process-based modelingcapability of subsurface hydrologic processes from TOUGH2 (includingheterogeneity, three-dimensional flow, seamless combining of unsaturatedand saturated zone, and water table). The preliminary simulation resultsshow that the coupled model greatly improved the predictions of the watertable, evapotranspiration, and surface temperature at a real watershed,as evaluated using 18 years of observed data. The new model is also readyto be coupled with an atmospheric simulation model, representing one ofthe first models that are capable to simulate hydraulic processes fromtop of the atmosphere to deep-ground.

  4. Progress Towards Coupled Simulation of Surface/Subsurface Hydrologic Processes and Terrestrial Ecosystem Dynamics Using the Community Models PFLOTRAN and CLM

    NASA Astrophysics Data System (ADS)

    Mills, R. T.; Bisht, G.; Karra, S.; Hoffman, F. M.; Hammond, G. E.; Kumar, J.; Painter, S.; Thornton, P. E.; Lichtner, P. C.

    2012-12-01

    Accurately simulating regional water cycle dynamics is challenging because of strong soil moisture-rainfall feedbacks and large uncertainties associated with vegetation and energy interactions. Earth system models of today cannot accurately capture such interactions, because current-generation land surface models (LSMs) 1) do not explicitly represent the fine-scale spatial variability of topography, soils, and vegetation that play a significant role in determining the response of hydrologic states (soil moisture) and fluxes (interception, infiltration, runoff, evapotranspiration) and 2) over-simplify or completely omit some key physical processes, such as lateral flow of water and heat, surface-subsurface interactions, realistic groundwater-vadose zone interactions, and freeze-thaw dynamics. Capturing such processes is critically important for predicting regional precipitation, vegetation productivity, and the disposition of carbon stored in potentially vulnerable permafrost under scenarios of climate change. Towards this end, we have added coupled surface water-groundwater interactions to the the open-source, massively parallel flow and reactive transport model PFLOTRAN, and have been developing a framework for coupling PFLOTRAN with the Community Land Model (CLM). PFLOTRAN is an open-source (LGPL-licensed) code -- with a growing community of users -- developed for simulation of multiscale, multiphase, multicomponent subsurface flow and reactive transport problems on machines ranging from laptops to leadership-class supercomputers. It has been applied in studies of contaminant fate and transport, geologic CO2 sequestration, and geothermal energy production, among others, and has been run using up to 262,144 processor cores on Jaguar, the Cray XK6 supercomputer at Oak Ridge National Laboratory. We have recently added a surface flow component in PFLOTRAN that is integrated with the subsurface. The underlying solver framework employed allows significant flexibility

  5. Touch as an interpersonal emotion regulation process in couples' daily lives: the mediating role of psychological intimacy.

    PubMed

    Debrot, Anik; Schoebi, Dominik; Perrez, Meinrad; Horn, Andrea B

    2013-10-01

    Interpersonal touch seems to promote physical health through its effects on stress-sensitive parameters. However, less is known about the psychological effects of touch. The present study investigates associations between touch and romantic partners' affective state in daily life. We hypothesized that this association is established by promoting the recipient's experience of intimacy. Both partners of 102 dating couples completed an electronic diary 4 times a day during 1 week. Multilevel analyses revealed that touch was associated with enhanced affect in the partner. This association was mediated by the partner's psychological intimacy. Touch was also associated with intimacy and positive affect in the actor. Finally, participants who were touched more often during the diary study week reported better psychological well-being 6 months later. This study provides evidence that intimate partners benefit from touch on a psychological level, conveying a sense of strengthened bonds between them that enhances affect and well-being. PMID:23885034

  6. Novel process for producing 6-deoxy monosaccharides from l-fucose by coupling and sequential enzymatic method.

    PubMed

    Shompoosang, Sirinan; Yoshihara, Akihide; Uechi, Keiko; Asada, Yasuhiko; Morimoto, Kenji

    2016-01-01

    We biosynthesized 6-deoxy-L-talose, 6-deoxy-L-sorbose, 6-deoxy-L-gulose, and 6-deoxy-L-idose, which rarely exist in nature, from L-fucose by coupling and sequential enzymatic reactions. The first product, 6-deoxy-L-talose, was directly produced from L-fucose by the coupling reactions of immobilized D-arabinose isomerase and immobilized L-rhamnose isomerase. In one-pot reactions, the equilibrium ratio of L-fucose, L-fuculose, and 6-deoxy-L-talose was 80:9:11. In contrast, 6-deoxy-L-sorbose, 6-deoxy-L-gulose, and 6-deoxy-L-idose were produced from L-fucose by sequential enzymatic reactions. D-Arabinose isomerase converted L-fucose into L-fuculose with a ratio of 88:12. Purified L-fuculose was further epimerized into 6-deoxy-L-sorbose by D-allulose 3-epimerase with a ratio of 40:60. Finally, purified 6-deoxy-L-sorbose was isomerized into both 6-deoxy-L-gulose with an equilibrium ratio of 40:60 by L-ribose isomerase, and 6-deoxy-L-idose with an equilibrium ratio of 73:27 by D-glucose isomerase. Based on the amount of L-fucose used, the production yields of 6-deoxy-L-talose, 6-deoxy-L-sorbose, 6-deoxy-L-gulose, and 6-deoxy-L-idose were 7.1%, 14%, 2%, and 2.4%, respectively.

  7. Comparative Simulation Syudy of Coupled THM Processes near Back-Filled and Open-Drift Nuclear Waste Repositories in Task D of International DECOVALEX Project

    SciTech Connect

    J. Rutqvist; J.T. Birkholzer; M. Chijimatsu; O. Kolditz; Q.S. Liu; Y. Oda; W. Wang; C.Y. Zhang

    2006-05-08

    As part of the ongoing international DECOVALEX project, four research teams used five different models to simulate coupled thermal, hydrological, and mechanical (THM) processes near underground waste emplacement drifts. The simulations were conducted for two generic repository types, one with open and the other with back-filled repository drifts, under higher and lower post-closure temperature, respectively. In the completed first model inception phase of the project, a good agreement was achieved between the research teams in calculating THM responses for both repository types, although some disagreement in hydrological responses are currently being resolved. Good agreement in the basic thermal-mechanical responses was also achieved for both repository types, even though some teams used relatively simplified thermal-elastic heat-conduction models that neglect complex near-field thermal-hydrological processes. The good agreement between the complex and simplified process models indicates that the basic thermal-mechanical responses can be predicted with a relatively high confidence level.

  8. Comparative simulation study of coupled THM processes nearback-filled and open-drift nuclear waste repositories in Task D of theInternational DECOVALEX Project

    SciTech Connect

    Rutqvist, J.; Birkholzer, J.T.; Chijimatsu, M.; Kolditz, O.; Liu,Quan-Sheng; Oda, Y.; Wang, Wenqing; Zhang, Cheng-Yuan

    2006-05-10

    As part of the ongoing international DECOVALEX project, fourresearch teams used five different models to simulate coupled thermal,hydrological, and mechanical (THM) processes near underground wasteemplacement drifts. The simulations were conducted for two genericrepository types, one with open and the other with back-filled repositorydrifts, under higher and lower post-closure temperature, respectively. Inthe completed first model inception phase of the project, a goodagreement was achieved between the research teams in calculating THMresponses for both repository types, although some disagreement inhydrological responses are currently being resolved. Good agreement inthe basic thermal-mechanical responses was also achieved for bothrepository types, even though some teams used relatively simplifiedthermal-elastic heat-conduction models that neglect complex near-fieldthermal-hydrological processes. The good agreement between the complexand simplified process models indicates that the basic thermal-mechanicalresponses can be predicted with a relatively high confidencelevel.

  9. Feedback control of HfO{sub 2} etch processing in inductively coupled Cl{sub 2}/N{sub 2}/Ar plasmas

    SciTech Connect

    Lin Chaung; Leou, K.-C.; Li, T.-C.; Lee, L.-S.; Tzeng, P.-J.

    2008-09-15

    The etch rate of HfO{sub 2} etch processing has been feedback controlled in inductively coupled Cl{sub 2}/N{sub 2}/Ar plasmas. The ion current and the root mean square rf voltage on the wafer stage, which are measured using a commercial impedance meter connected to the wafer stage, are chosen as controlled variables because the positive-ion flux and ion energy incident upon the wafer surface are the key factors that determine the etch rate. Two 13.56 MHz rf generators are used to adjust the inductively coupled plasma power and bias power which control ion density and ion energy, respectively. The adopted HfO{sub 2} etch processing used rather low rf voltage. The ion-current value obtained by the power/voltage method is underestimated, so the neural-network model was developed to assist estimating the correct ion-current value. The experimental results show that the etch-rate variation of the closed-loop control is smaller than that of the open-loop control. However, the first wafer effect cannot be eliminated using closed-loop control and thus to achieve a constant etch rate, the chamber-conditioning procedure is required in this etch processing.

  10. A coupled model of TiN inclusion growth in GCr15SiMn during solidification in the electroslag remelting process

    NASA Astrophysics Data System (ADS)

    Yang, Liang; Cheng, Guo-guang; Li, Shi-jian; Zhao, Min; Feng, Gui-ping; Li, Tao

    2015-12-01

    TiN inclusions observed in an ingot produced by electroslag remelting (ESR) are extremely harmful to GCr15SiMn steel. Therefore, accurate predictions of the growth size of these inclusions during steel solidification are significant for clean ESR ingot production. On the basis of our previous work, a coupled model of solute microsegregation and TiN inclusion growth during solidification has been established. The results demonstrate that compared to a non-coupled model, the coupled model predictions of the size of TiN inclusions are in good agreement with experimental results using scanning electron microscopy with energy disperse spectroscopy (SEM-EDS). Because of high cooling rate, the sizes of TiN inclusions in the edge area of the ingots are relatively small compared to the sizes in the center area. During the ESR process, controlling the content of Ti in the steel is a feasible and effective method of decreasing the sizes of TiN inclusions.

  11. Coupling of histone methylation and RNA processing by the nuclear mRNA cap-binding complex.

    PubMed

    Li, Zicong; Jiang, Danhua; Fu, Xing; Luo, Xiao; Liu, Renyi; He, Yuehui

    2016-01-01

    In eukaryotes, genes are transcribed into pre-mRNAs that are subsequently processed into mature mRNAs by adding a 5'-cap and a 3'-polyA tail and splicing introns. Pre-mRNA processing involves their binding proteins and processing factors, whereas gene transcription often involves chromatin modifiers. It has been unclear how the factors involved in chromatin modifications and RNA processing function in concert to control mRNA production. Here, we show that in Arabidopsis thaliana, the evolutionarily conserved nuclear mRNA cap-binding complex (CBC) forms multi-protein complexes with a conserved histone 3 lysine 4 (H3K4) methyltransferase complex called COMPASS-like and a histone 3 lysine 36 (H3K36) methyltransferase to integrate active histone methylations with co-transcriptional mRNA processing and cap preservation, leading to a high level of mature mRNA production. We further show that CBC is required for H3K4 and H3K36 trimethylation, and the histone methyltransferases are required for CBC-mediated mRNA cap preservation and efficient pre-mRNA splicing at their target loci, suggesting that these factors are functionally interdependent. Our study reveals novel roles for histone methyltransferases in RNA-processing-related events and provides mechanistic insights into how the 'downstream' RNA CBC controls eukaryotic gene transcription. PMID:27249350

  12. Coupled hydrological and biogeochemical processes controlling variability of nitrogen species in streamflow during autumn in an upland forest

    NASA Astrophysics Data System (ADS)

    Sebestyen, Stephen D.; Shanley, James B.; Boyer, Elizabeth W.; Kendall, Carol; Doctor, Daniel H.

    2014-02-01

    Autumn is a season of dynamic change in forest streams of the northeastern United States due to effects of leaf fall on both hydrology and biogeochemistry. Few studies have explored how interactions of biogeochemical transformations, various nitrogen sources, and catchment flow paths affect stream nitrogen variation during autumn. To provide more information on this critical period, we studied (1) the timing, duration, and magnitude of changes to stream nitrate, dissolved organic nitrogen (DON), and ammonium concentrations; (2) changes in nitrate sources and cycling; and (3) source areas of the landscape that most influence stream nitrogen. We collected samples at higher temporal resolution for a longer duration than typical studies of stream nitrogen during autumn. This sampling scheme encompassed the patterns and extremes that occurred during base flow and stormflow events of autumn. Base flow nitrate concentrations decreased by an order of magnitude from 5.4 to 0.7 µmol L-1 during the week when most leaves fell from deciduous trees. Changes to rates of biogeochemical transformations during autumn base flow explained the low nitrate concentrations; in-stream transformations retained up to 72% of the nitrate that entered a stream reach. A decrease of in-stream nitrification coupled with heterotrophic nitrate cycling were primary factors in the seasonal nitrate decline. The period of low nitrate concentrations ended with a storm event in which stream nitrate concentrations increased by 25-fold. In the ensuing weeks, peak stormflow nitrate concentrations progressively decreased over closely spaced, yet similarly sized events. Most stormflow nitrate originated from nitrification in near-stream areas with occasional, large inputs of unprocessed atmospheric nitrate, which has rarely been reported for nonsnowmelt events. A maximum input of 33% unprocessed atmospheric nitrate to the stream occurred during one event. Large inputs of unprocessed atmospheric nitrate show

  13. Coupled hydrological and biogeochemical processes controlling variability of nitrogen species in streamflow during autumn in an upland forest

    USGS Publications Warehouse

    Sebestyen, Stephen D.; Shanley, James B.; Boyer, Elizabeth W.; Kendall, Carol; Doctor, Daniel H.

    2014-01-01

    Autumn is a season of dynamic change in forest streams of the northeastern United States due to effects of leaf fall on both hydrology and biogeochemistry. Few studies have explored how interactions of biogeochemical transformations, various nitrogen sources, and catchment flow paths affect stream nitrogen variation during autumn. To provide more information on this critical period, we studied (1) the timing, duration, and magnitude of changes to stream nitrate, dissolved organic nitrogen (DON), and ammonium concentrations; (2) changes in nitrate sources and cycling; and (3) source areas of the landscape that most influence stream nitrogen. We collected samples at higher temporal resolution for a longer duration than typical studies of stream nitrogen during autumn. This sampling scheme encompassed the patterns and extremes that occurred during base flow and stormflow events of autumn. Base flow nitrate concentrations decreased by an order of magnitude from 5.4 to 0.7 µmol L−1 during the week when most leaves fell from deciduous trees. Changes to rates of biogeochemical transformations during autumn base flow explained the low nitrate concentrations; in-stream transformations retained up to 72% of the nitrate that entered a stream reach. A decrease of in-stream nitrification coupled with heterotrophic nitrate cycling were primary factors in the seasonal nitrate decline. The period of low nitrate concentrations ended with a storm event in which stream nitrate concentrations increased by 25-fold. In the ensuing weeks, peak stormflow nitrate concentrations progressively decreased over closely spaced, yet similarly sized events. Most stormflow nitrate originated from nitrification in near-stream areas with occasional, large inputs of unprocessed atmospheric nitrate, which has rarely been reported for nonsnowmelt events. A maximum input of 33% unprocessed atmospheric nitrate to the stream occurred during one event. Large inputs of unprocessed atmospheric nitrate

  14. The Madden–Julian oscillation wind-convection coupling and the role of moisture processes in the MM5 model

    SciTech Connect

    Monier, Erwan; Weare, Bryan C.; Gustafson, William I.

    2009-07-24

    The realism of the Madden-Julian Oscillation (MJO) produced by the MM5 regional model is investigated using systematic and standardized statistical diagnostics. This study expands on previous work by choosing a larger domain and a different input dataset (ECMWF ERA-40 reanalysis) to force the initial and boundary conditions of the model. Results show that upper- and lower-level zonal winds display the correct MJO structure, phase speed (8 m s -1) and space-time power spectrum. However, the simulated free atmosphere moisture, Outgoing Longwave Radation (OLR) and precipitation do not exhibit any clear MJO signal. Yet, the boundary layer moisture, the moist static energy and the atmospheric instability, measured using a moist static energy instability index have clear MJO signals. A significant finding of this study is the ability of MM5 to simulate a realistic MJO phase speed in the winds without reproducing the MJO wind-convection coupling or a realistic propagation in the free atmosphere water vapor. This study suggests that the convergence of boundary layer moisture and the discharge and recharge of the moist static energy and atmospheric instability may be responsible for controlling the speed of propagation of the MJO circulation.

  15. Effect of thermo-coupled processes on the behaviour of a clay barrier submitted to heating and hydration.

    PubMed

    Sánchez, Marcelo; Gens, Antonio; Olivella, Sebastia

    2010-03-01

    The storage of high level radioactive waste is still an unresolved problem of the nuclear industry, being geological disposal the most favoured option and, naturally, the one requiring the strongest geo-mechanical input. Most conceptual designs for the deep geological disposal of nuclear waste envisage placing the canisters containing the waste in horizontal drifts or vertical boreholes. The empty space surrounding the canisters is filled by an engineered barrier often made up of compacted swelling clay. In the barrier and the near field, significant thermo-hydro-mechanical(THM) phenomena take place that interact in a complex way. A good understanding of THM issues is, therefore, necessary to ensure a correct performance of engineered barriers and seals. The conditions of the bentonite in an engineered barrier for high-level radioactive waste disposal are being simulated in a mock-up heating test at almost scale, at the premises of CIEMAT in Madrid. The evolution of the main Thermo-Hydro-Mechanical (THM) variables of this test are analysed in this paper by using a fully coupled THM formulation and the corresponding finite element code. Special emphasis has been placed on the study of the effect of thermo-osmotic flow in the hydration of the clay barrier at an advanced staged of the experiment. PMID:20209250

  16. TYPE Ia SUPERNOVAE AS SITES OF THE p-PROCESS: TWO-DIMENSIONAL MODELS COUPLED TO NUCLEOSYNTHESIS

    SciTech Connect

    Travaglio, C.; Gallino, R.; Roepke, F. K.; Hillebrandt, W. E-mail: claudia.travaglio@b2fh.org

    2011-10-01

    Beyond Fe, there is a class of 35 proton-rich nuclides, between {sup 74}Se and {sup 196}Hg, called p-nuclei. They are bypassed by the s and r neutron capture processes and are typically 10-1000 times less abundant than the s- and/or r-isotopes in the solar system. The bulk of p-isotopes is created in the 'gamma processes' by sequences of photodisintegrations and beta decays in explosive conditions in both core collapse supernovae (SNe II) and in Type Ia supernovae (SNe Ia). SNe II contribute to the production of p-nuclei through explosive neon and oxygen burning. However, the major problem in SN II ejecta is a general underproduction of the light p-nuclei for A < 120. We explore SNe Ia as p-process sites in the framework of a two-dimensional SN Ia delayed detonation model as well as pure deflagration models. The white dwarf precursor is assumed to have reached the Chandrasekhar mass in a binary system by mass accretion from a giant/main-sequence companion. We use enhanced s-seed distributions, with seeds directly obtained from a sequence of thermal pulse instabilities both in the asymptotic giant branch phase and in the accreted material. We apply the tracer-particle method to reconstruct the nucleosynthesis by the thermal histories of Lagrangian particles, passively advected in the hydrodynamic calculations. For each particle, we follow the explosive nucleosynthesis with a detailed nuclear reaction network for all isotopes up to {sup 209}Bi. We select tracers within the typical temperature range for p-process production, (1.5-3.7) x 10{sup 9} K, and analyze in detail their behavior, exploring the influence of different s-process distributions on the p-process nucleosynthesis. In addition, we discuss the sensitivity of p-process production to parameters of the explosion mechanism, taking into account the consequences on Fe and alpha elements. We find that SNe Ia can produce a large amount of p-nuclei, both the light p-nuclei below A = 120 and the heavy-p nuclei, at

  17. Numerical Simulation Of Steel Plate Bending Process Using Stationary Laser Beam By A Coupled Finite Element Thermal Mechanical Analysis

    SciTech Connect

    Kheloufi, Karim; Amara, El Hachemi

    2008-09-23

    We analyze the deformation induced by focusing a CW high power laser beam on stainless steel plate. A non-linear 3D finite element approach is used to simulate the thermo-elastoplastic deformation, the heat conduction, and stresses. Material properties including density, yield stress, Young modulus, specific heat, and thermal expansion coefficient are considered as temperature-dependent. The effect of heating time on transient temperatures, stresses, strains and bending angles during the process is studied, and the process parameters affecting the bending angles were also investigated.

  18. Process coupling and control over the response of net ecosystem CO2 exchange to climate variability and insect disturbance in subalpine forests of the Western US

    NASA Astrophysics Data System (ADS)

    Monson, R. K.; Moore, D. J.; Trahan, N. A.; Scott-Denton, L.; Burns, S. P.; Hu, J.; Bowling, D. R.

    2011-12-01

    Following ten years of studies in subalpine forest ecosystems of the Western US, we have concluded that the tight coupling between gross primary productivity (GPP) and the autotrophic component of soil respiration (Ra) drives responses of net ecosystem CO2 exchange (NEE) to climate variability and insect disturbance. This insight has been gained through long-term eddy flux observations, manipulative plot experiments, analyses of dynamics in the stable isotope compositions of CO2 and H2O, and chamber gas-exchange measurements. Using past observations from these studies, we deployed model-data assimilation techniques and forecast weather/climate modeling to estimate how the coupling between GPP and Ra is likely to affect future (Year 2100) dynamics in NEE. The amount of winter snow and its melting dynamics in the spring represents the dominant control over interannual variation in GPP. Using the SIPNET ecosystem process model, combined with knowledge about the stable isotope content of different water sources, we estimated that approximately 75% of growing season GPP is coupled to the use of snowmelt water, whereas approximately 25% is coupled to summer rain. The tight coupling between GPP and winter snow pack drives a similar tight coupling between soil respiration (Rs) and winter snow pack. Manipulation of snow pack on forest plots has shown that Rs increases with increased snow pack, and this effect disappears when trees are girdled, which stops the transfer of GPP to roots and the soil rhizosphere. Higher-than-normal winter snowpacks cause the carbon isotope ratios of soil-respired CO2 to be depleted in 13C, reflecting a signal of lower photosynthetic water-use efficiency in the GPP that is transferred to the soil rhizosphere. Large-scale forest disturbance due to catastrophic tree mortality from mountain pine beetle attack causes an initial (2-3 year) reduction in Rs, which is attributable to the loss of GPP and its effect on Ra. This near-term reduction in Rs

  19. Strategic Coupling of Advanced Induction Heating with Magnetic Field Processing Technologies Provides Innovative Solutions for Elevated Industries Demands

    SciTech Connect

    Ludtka, Mackiewicz-Ludtka; Pfaffmann, George; Ludtka, Gerard Michael

    2013-01-01

    Industry s relentless pursuit of product performance improvements is now challenging the capability of available/existing Thermal processing technologies, i.e., Heat Treating. In fact, the EPA-mandated requirement for light-weighting vehicles underscores the urgent US need for achieving higher product strength improvements.

  20. Fundamental processes in the expansion, energization, and coupling of single- and multi-Ion plasmas in space: Laboratory simulation experiments

    NASA Technical Reports Server (NTRS)

    Szuszczewicz, E. P.; Bateman, T. T.

    1996-01-01

    We have conducted a laboratory investigation into the physics of plasma expansions and their associated energization processes. We studied single- and multi-ion plasma processes in self-expansions, and included light and heavy ions and heavy/light mixtures to encompass the phenomenological regimes of the solar and polar winds and the AMPTE and CRRES chemical release programs. The laboratory experiments provided spatially-distributed time-dependent measurements of total plasma density, temperature, and density fluctuation power spectra with the data confirming the long-theorized electron energization process in an expanding cloud - a result that was impossible to determine in spaceborne experiments (as e.g., in the CRRES program). These results provided the missing link in previous laboratory and spaceborne programs. confirming important elements in our understanding of such solar-terrestrial processes as manifested in expanding plasmas in the solar wind (e.g., CMES) and in ionospheric outflow in plasmaspheric fluctuate refilling after a storm. The energization signatures were seen in an entire series of runs that varied the ion species (Ar', Xe', Kr' and Ne'), and correlative studies included spectral analyses of electrostatic waves collocated with the energized electron distributions. In all cases wave energies were most intense during the times in which the suprathermal populations were present, with wave intensity increasing with the intensity of the suprathermal electron population. This is consistent with theoretical expectations wherein the energization process is directly attributable to wave particle interactions. No resonance conditions were observed, in an overall framework in which the general wave characteristics were broadband with power decreasing with increasing frequency.

  1. Finite element method for simulating coupled thermo-hydro-mechanical processes in discretely fractured porous media and application to enhanced geothermal reservoir analysis

    NASA Astrophysics Data System (ADS)

    Watanabe, N.; Wong, L.; Bloecher, G.; Cacace, M.; Kolditz, O.

    2012-12-01

    We present our recent development of the finite element method (FEM) for simulating coupled thermo-hydro-mechanical (THM) processes in discretely fractured porous media and an application to geothermal reservoir modeling for the research test site Gross Schoenebeck in Germany operated by the GFZ German Research Centre for Geosciences. Numerical analysis of multi-physics problems in fractured rocks is important for various geotechnical applications. In particular for enhanced geothermal reservoirs where induced fractures and possibly natural fault systems dominate the system behavior, explicit modeling of those characteristic fractures (i.e. discrete fracture models) is essential to get more detailed understanding of in-situ processes and reliable estimations of heat extraction from those deep reservoirs. However, as fractures are mechanical discontinuities, it is difficult to solve the problems using continuity based numerical methods such as the FEM. Currently, equivalent porous medium or multiple continuum model approaches are often only the way to model fractured rocks with the FEM. The authors have recently developed lower-dimensional interface elements (LIEs) for modeling mechanics-involved coupled processes with pre-existing fractures (Watanabe et al. 2012 IJNME). The method does not require any double nodes unlike conventional interface elements. Moreover, for coupled problems, the approach allows for the use of a single mesh for both mechanical and other related processes such as flow and transport. All the code developments have been carried out within the scientific open source project OpenGeoSys (www.opengeosys.net) (Kolditz et al. 2012 EES). Using both traditional and new simulation techniques, a geothermal reservoir model for the research test site Gross Schoenebeck has been developed. Unstructured meshing of the complex faulted reservoir including both rock matrix and fracture elements has been conducted using recently developed automatic

  2. Graphics processing unit aided highly stable real-time spectral-domain optical coherence tomography at 1375 nm based on dual-coupled-line subtraction

    NASA Astrophysics Data System (ADS)

    Kim, Ji-hyun; Han, Jae-Ho; Jeong, Jichai

    2013-04-01

    We have proposed and demonstrated a highly stable spectral-domain optical coherence tomography (SD-OCT) system based on dual-coupled-line subtraction. The proposed system achieved an ultrahigh axial resolution of 5 μm by combining four kinds of spectrally shifted superluminescent diodes at 1375 nm. Using the dual-coupled-line subtraction method, we made the system insensitive to fluctuations of the optical intensity that can possibly arise in various clinical and experimental conditions. The imaging stability was verified by perturbing the intensity by bending an optical fiber, our system being the only one to reduce the noise among the conventional systems. Also, the proposed method required less computational complexity than conventional mean- and median-line subtraction. The real-time SD-OCT scheme was implemented by graphics processing unit aided signal processing. This is the first reported reduction method for A-line-wise fixed-pattern noise in a single-shot image without estimating the DC component.

  3. Coenzyme Q(10) production by immobilized Sphingomonas sp. ZUTE03 via a conversion-extraction coupled process in a three-phase fluidized bed reactor.

    PubMed

    Qiu, Lequan; Ding, Hanbing; Wang, Weijian; Kong, Zhuoyi; Li, Xuanzhen; Shi, Yuping; Zhong, Weihong

    2012-02-10

    A three-phase fluidized bed reactor (TPFBR) was designed to evaluate the potential of CoQ(10) production by gel-entrapped Sphingomonas sp. ZUTE03 via a conversion-extract coupled process. In the reactor, the CoQ(10) yield reached 46.99 mg/L after 8 h of conversion; a high-level yield of about 45 mg/L was maintained even after 15 repetitions (8 h/batch). To fully utilize the residual precursor (para-hydroxybenzoic acid, PHB) in the aqueous phase, the organic phase was replaced with new solution containing 70 mg/L solanesol for each 8 h batch. The CoQ(10) yield of each batch was maintained at a level of about 43 mg/L until the PHB ran out. When solid solanesol was fed to the organic phase for every 8 h batch, CoQ(10) could accumulate and reach a yield of 171.52 mg/L. When solid solanesol and PHB were fed to the conversion system after every 8 h batch, the CoQ(10) yield reached 441.65 mg/L in the organic phase after 20 repetitions, suggesting that the conversion-extract coupled process could enhance CoQ(10) production in the TPFBR.

  4. Multiple-Code BenchMaek Simulation Stidy of Coupled THMC Processes IN the EXCAVATION DISTURBED ZONE Associated with Geological Nuclear Waste Repositories

    SciTech Connect

    J. Rutqvist; X. Feng; J. Hudson; L. Jing; A. Kobayashi; T. Koyama; P.Pan; H. Lee; M. Rinne; E. Sonnenthal; Y. Yamamoto

    2006-05-08

    An international, multiple-code benchmark test (BMT) study is being conducted within the international DECOVALEX project to analyze coupled thermal, hydrological, mechanical and chemical (THMC) processes in the excavation disturbed zone (EDZ) around emplacement drifts of a nuclear waste repository. This BMT focuses on mechanical responses and long-term chemo-mechanical effects that may lead to changes in mechanical and hydrological properties in the EDZ. This includes time-dependent processes such as creep, and subcritical crack, or healing of fractures that might cause ''weakening'' or ''hardening'' of the rock over the long term. Five research teams are studying this BMT using a wide range of model approaches, including boundary element, finite element, and finite difference, particle mechanics, and elasto-plastic cellular automata methods. This paper describes the definition of the problem and preliminary simulation results for the initial model inception part, in which time dependent effects are not yet included.

  5. Fundamental of a Planar Type of Inductively Coupled Thermal Plasma (ICTP) on a Substrate for a Large-area Materials Processings

    NASA Astrophysics Data System (ADS)

    Suantial, Maikai; Akao, Mika; Irie, Hiromitsu; Maruyama, Yuji; Tanaka, Yasunori; Uesugi, Yoshihiko; Ishijima, Tatsuo; Kanazawa University Team

    2015-09-01

    In this paper, the fundamental of a planar type Ar inductively coupled thermal plasmas (ICTP) with oxygen molecular gas have been studied on a substrate. Previously, we have developed a planar-ICTP torch with a rectangular quartz vessel with an air core coil or a ferrite core coil instead of a cylindrical tube for a large-area materials processing. For adoption of such a planar-ICTP to material processings, it needs to sustain the ICTP with molecular gases on a substrate stably. To consider the uniformity of the ICTP formed on the substrate, spectroscopic observation was carried out at 3 mm above the substrate. Results showed that the radiation intensities of specified O atomic lines were almost uniformly detected along the surface of the substrate. This means that O excited atoms, which are important radicals for thermal plasma oxidation, are present in planar-ICTP uniformly on the substrate.

  6. Fundamental study of Ti feedstock evaporation and the precursor formation process in inductively coupled thermal plasmas during TiO2 nanopowder synthesis

    NASA Astrophysics Data System (ADS)

    Kodama, Naoto; Tanaka, Yasunori; Kita, K.; Ishisaka, Y.; Uesugi, Y.; Ishijima, T.; Sueyasu, S.; Nakamura, K.

    2016-08-01

    Two-dimensional spectroscopic observations were conducted for an inductively coupled thermal plasma (ICTP) torch during TiO2 nanopowder synthesis. The feedstock was injected intermittently into the ICTP torch to investigate the Ti feedstock evaporation process clearly and to elucidate the formation process of precursor species. Spatiotemporal distributions of Ti atomic lines and TiO spectra were observed simultaneously inside the plasma torch with the observation system developed. The observation results showed that the injected Ti feedstock was evaporated to form high-density Ti atomic vapour in the torch, and that the generated Ti atomic vapour is transported and diffused by gas flow and the density gradient. In addition, TiO molecular vapour was generated almost simultaneously around the on-axis region in the torch.

  7. Model-based analysis of coupled equilibrium-kinetic processes: indirect kinetic studies of thermodynamic parameters using the dynamic data.

    PubMed

    Emami, Fereshteh; Maeder, Marcel; Abdollahi, Hamid

    2015-05-01

    Thermodynamic studies of equilibrium chemical reactions linked with kinetic procedures are mostly impossible by traditional approaches. In this work, the new concept of generalized kinetic study of thermodynamic parameters is introduced for dynamic data. The examples of equilibria intertwined with kinetic chemical mechanisms include molecular charge transfer complex formation reactions, pH-dependent degradation of chemical compounds and tautomerization kinetics in micellar solutions. Model-based global analysis with the possibility of calculating and embedding the equilibrium and kinetic parameters into the fitting algorithm has allowed the complete analysis of the complex reaction mechanisms. After the fitting process, the optimal equilibrium and kinetic parameters together with an estimate of their standard deviations have been obtained. This work opens up a promising new avenue for obtaining equilibrium constants through the kinetic data analysis for the kinetic reactions that involve equilibrium processes.

  8. A Fully Coupled Simulation and Optimization Scheme for the Design of 3D Powder Injection Molding Processes

    SciTech Connect

    Ayad, G.; Barriere, T.; Gelin, J. C.; Liu, B.

    2007-05-17

    The paper is concerned with optimization and parametric identification of Powder Injection Molding process that consists first in injection of powder mixture with polymer binder and then to the sintering of the resulting powders parts by solid state diffusion. In the first part, one describes an original methodology to optimize the injection stage based on the combination of Design Of Experiments and an adaptive Response Surface Modeling. Then the second part of the paper describes the identification strategy that one proposes for the sintering stage, using the identification of sintering parameters from dilatometer curves followed by the optimization of the sintering process. The proposed approaches are applied to the optimization for manufacturing of a ceramic femoral implant. One demonstrates that the proposed approach give satisfactory results.

  9. Evaluation of Fenton oxidation process coupled with biological treatment for the removal of reactive black 5 from aqueous solution

    PubMed Central

    2013-01-01

    Biodegradation of azo dyes is difficult due to their complex structures and low BOD to COD ratios. In the present study, the efficiency of using Fenton’s reagent (H2O2 + Fe2+) as a pretreatment process to enhance microbial transformation of reactive black 5 (RB5) in an aqueous system was evaluated. The RB5 with an initial concentration of 250 mg/L was decolorized up to 90% in 60 h by using a bacterial consortium. Fenton’s reagent at a Fe2+ concentration of 0.5 mM and H2O2 concentration of 2.9 mM (molar ratio, 1:5.8) was most effective for decolorization at pH = 3.0. The extent of RB5 removal by the combined Fenton–biotreatment was about 2 times higher than that of biotreatment alone. The production of some aromatic amines intermediates implied partial mineralization of the RB5 in Fenton treatment alone; in addition, decreasing of GC-MS peaks suggested that dearomatization occurred in Fenton-biological process. Fenton pretreatment seems to be a cost–effective option for the biotreatment of azo dyes, due mainly to the lower doses of chemicals, lower sludge generation, and saving of time. Our results demonstrated positive effects of inoculating bacterial consortium which was capable of dye biodegradation with a Fenton’s pretreatment step as well as the benefits of low time required for the biological process. In addition, the potential of field performance of Fenton-biological process because of using bacterial consortium is an other positive effect of it. PMID:24499597

  10. Mountain-Scale Coupled Thermal-Hydrological-Chemical Processes Around the Potential Nuclear Waste Repository at Yucca Mountain

    SciTech Connect

    E. Sonnenthal; C. Haukwa; N. Spycher

    2001-06-04

    The objectives of this study were to evaluate the thermal-hydrological-chemical (THC) effects on flow and geochemistry in the unsaturated zone (UZ) at Yucca Mountain at a mountain scale. The major THC processes important in the UZ are (1) mineral precipitation/dissolution affecting flow and transport to and from the potential repository, and (2) changes in the compositions of gas and liquid that may seep into drifts.

  11. Modeling coupled thermal-hydrological-chemical processes in theunsaturated fractured rock of Yucca Mountain, Nevada: Heterogeneity andseepage

    SciTech Connect

    Mukhopadhyay, Sumit; Sonnenthal, Eric L.; Spycher, Nicolas

    2005-07-15

    An understanding of processes affecting seepage intoemplacement tunnels is needed for correctly predicting the performance ofunderground radioactive waste repositories. It has been previouslyestimated that the capillary and vaporization barriers in the unsaturatedfractured rock of Yucca Mountain are enough to prevent seepage underpresent day infiltration conditions. It has also been thought that asubstantially elevated infiltration flux will be required to causeseepage after the thermal period is over. While coupledthermal-hydrological-chemical (THC) changes in Yucca Mountain host rockdue to repository heating has been previously investigated, those THCmodels did not incorporate elements of the seepage model. In this paper,we combine the THC processes in unsaturated fractured rock with theprocesses affecting seepage. We observe that the THC processes alter thehydrological properties of the fractured rock through mineralprecipitation and dissolution. We show that such alteration in thehydrological properties of the rock often leads to local flow channeling.We conclude that such local flow channeling may result in seepage undercertain conditions, even with nonelevated infiltrationfluxes.

  12. Coupled molecular dynamics-Monte Carlo model to study the role of chemical processes during laser ablation of polymeric materials

    NASA Astrophysics Data System (ADS)

    Prasad, Manish; Conforti, Patrick F.; Garrison, Barbara J.

    2007-08-01

    The coarse grained chemical reaction model is enhanced to build a molecular dynamics (MD) simulation framework with an embedded Monte Carlo (MC) based reaction scheme. The MC scheme utilizes predetermined reaction chemistry, energetics, and rate kinetics of materials to incorporate chemical reactions occurring in a substrate into the MD simulation. The kinetics information is utilized to set the probabilities for the types of reactions to perform based on radical survival times and reaction rates. Implementing a reaction involves changing the reactants species types which alters their interaction potentials and thus produces the required energy change. We discuss the application of this method to study the initiation of ultraviolet laser ablation in poly(methyl methacrylate). The use of this scheme enables the modeling of all possible photoexcitation pathways in the polymer. It also permits a direct study of the role of thermal, mechanical, and chemical processes that can set off ablation. We demonstrate that the role of laser induced heating, thermomechanical stresses, pressure wave formation and relaxation, and thermochemical decomposition of the polymer substrate can be investigated directly by suitably choosing the potential energy and chemical reaction energy landscape. The results highlight the usefulness of such a modeling approach by showing that various processes in polymer ablation are intricately linked leading to the transformation of the substrate and its ejection. The method, in principle, can be utilized to study systems where chemical reactions are expected to play a dominant role or interact strongly with other physical processes.

  13. Tropical Indian Ocean surface salinity bias in Climate Forecasting System coupled models and the role of upper ocean processes

    NASA Astrophysics Data System (ADS)

    Parekh, Anant; Chowdary, Jasti S.; Sayantani, Ojha; Fousiya, T. S.; Gnanaseelan, C.

    2016-04-01

    In the present study sea surface salinity (SSS) biases and seasonal tendency over the Tropical Indian Ocean (TIO) in the coupled models [Climate Forecasting System version 1 (CFSv1) and version 2 (CFSv2)] are examined with respect to observations. Both CFSv1 and CFSv2 overestimate SSS over the TIO throughout the year. CFSv1 displays improper SSS seasonal cycle over the Bay of Bengal (BoB), which is due to weaker model precipitation and improper river runoff especially during summer and fall. Over the southeastern Arabian Sea (AS) weak horizontal advection associated with East Indian coastal current during winter limits the formation of spring fresh water pool. On the other hand, weaker Somali jet during summer results for reduced positive salt tendency in the central and eastern AS. Strong positive precipitation bias in CFSv1 over the region off Somalia during winter, weaker vertical mixing and absence of horizontal salt advection lead to unrealistic barrier layer during winter and spring. The weaker stratification and improper spatial distribution of barrier layer thickness (BLT) in CFSv1 indicate that not only horizontal flux distribution but also vertical salt distribution displays large discrepancies. Absence of fall Wyrtki jet and winter equatorial currents in this model limit the advection of horizontal salt flux to the eastern equatorial Indian Ocean. The associated weaker stratification in eastern equatorial Indian Ocean can lead to deeper mixed layer and negative Sea Surface Temperature (SST) bias, which in turn favor positive Indian Ocean Dipole bias in CFSv1. It is important to note that improper spatial distribution of barrier layer and stratification can alter the air-sea interaction and precipitation in the models. On the other hand CFSv2 could produce the seasonal evolution and spatial distribution of SSS, BLT and stratification better than CFSv1. However CFSv2 displays positive bias in evaporation over the whole domain and negative bias in

  14. Coupled modelling of cryosphere dynamics and hydrological processes at the watershed scale in the Upper Indus Basin (UIB)

    NASA Astrophysics Data System (ADS)

    Forsythe, N. D.; Fowler, H. J.; Kilsby, C. G.; Blenkinsop, S.; O'Donnell, G. M.; Rutter, N.; Brock, B. W.; Archer, D.

    2013-12-01

    The hydrology of the UIB (above the Tarbela reservoir) is overwhelmingly dominated by nival (seasonal snowmelt) and glacial regimes exhibited by its constituent tributaries. Similarly the future of glaciers in this western extremity of the Himalayan arc is dependent upon changes in precipitation and energy (most easily indexed by temperature). While previous large-scale modelling studies primarily stipulated fixed scenarios of glacial retreat (e.g. areal reductions of 25 to 100%), recent climatological and remote sensing studies have shown evidence of glacial stagnation or expansion in the Karakoram coupled with decreases in summer temperature. Summer cooling is part of seasonally asymmetric temperature change in the region over recent decades with large winter temperature increases yielding net annual warming. In light of this uncertainty in present glacial mass balance sign and rate, it was decided to develop a custom large-scale (>1000km2), high resolution (500m grid) model capable of simulating cryosphere response to variable mass and energy inputs along with the resulting hydrological impacts in meltwater generation. The model presented here yields improvements over previous studies including: i) modelling of snow covered area (SCA) as an output; ii) modelling of glacial catchment fractions variable both in mass and area; and iii) modelling of mass transfer between grid cells based on gravity-driven basal sliding. Simulation results are presented for two UIB tributary catchments, a nival and a glacial dominated regime, for both calibration/validation runs as well as a simulated synthetic control climate and two contrasting scenarios of Summer temperature. The resulting divergence in glacial mass balance and seasonality of river flows between the future scenarios is striking with strong warming leading to drastic glacier retreat but Summer cooling yielding consistent glacial expansion. Furthermore, prior to simulation of future conditions remote sensing data

  15. A Online NIR Sensor for the Pilot-Scale Extraction Process in Fructus Aurantii Coupled with Single and Ensemble Methods

    PubMed Central

    Pan, Xiaoning; Li, Yang; Wu, Zhisheng; Zhang, Qiao; Zheng, Zhou; Shi, Xinyuan; Qiao, Yanjiang

    2015-01-01

    Model performance of the partial least squares method (PLS) alone and bagging-PLS was investigated in online near-infrared (NIR) sensor monitoring of pilot-scale extraction process in Fructus aurantii. High-performance liquid chromatography (HPLC) was used as a reference method to identify the active pharmaceutical ingredients: naringin, hesperidin and neohesperidin. Several preprocessing methods and synergy interval partial least squares (SiPLS) and moving window partial least squares (MWPLS) variable selection methods were compared. Single quantification models (PLS) and ensemble methods combined with partial least squares (bagging-PLS) were developed for quantitative analysis of naringin, hesperidin and neohesperidin. SiPLS was compared to SiPLS combined with bagging-PLS. Final results showed the root mean square error of prediction (RMSEP) of bagging-PLS to be lower than that of PLS regression alone. For this reason, an ensemble method of online NIR sensor is here proposed as a means of monitoring the pilot-scale extraction process in Fructus aurantii, which may also constitute a suitable strategy for online NIR monitoring of CHM. PMID:25875194

  16. Pure & crystallized 2D Boron Nitride sheets synthesized via a novel process coupling both PDCs and SPS methods

    NASA Astrophysics Data System (ADS)

    Yuan, Sheng; Linas, Sébastien; Journet, Catherine; Steyer, Philippe; Garnier, Vincent; Bonnefont, Guillaume; Brioude, Arnaud; Toury, Bérangère

    2016-02-01

    Within the context of emergent researches linked to graphene, it is well known that h-BN nanosheets (BNNSs), also referred as 2D BN, are considered as the best candidate for replacing SiO2 as dielectric support or capping layers for graphene. As a consequence, the development of a novel alternative source for highly crystallized h-BN crystals, suitable for a further exfoliation, is a prime scientific issue. This paper proposes a promising approach to synthesize pure and well-crystallized h-BN flakes, which can be easily exfoliated into BNNSs. This new accessible production process represents a relevant alternative source of supply in response to the increasing need of high quality BNNSs. The synthesis strategy to prepare pure h-BN is based on a unique combination of the Polymer Derived Ceramics (PDCs) route with the Spark Plasma Sintering (SPS) process. Through a multi-scale chemical and structural investigation, it is clearly shown that obtained flakes are large (up to 30 μm), defect-free and well crystallized, which are key-characteristics for a subsequent exfoliation into relevant BNNSs.

  17. A highly energetic process couples calcium influx through L-type calcium channels to insulin secretion in pancreatic β-cells

    PubMed Central

    Jung, Seung-Ryoung; Reed, Benjamin J.; Sweet, Ian R.

    2009-01-01

    Calcium (Ca2+) influx is required for the sustained secretion of insulin and is accompanied by a large rate of energy usage. We hypothesize that the energy usage reflects a process [Ca2+/metabolic coupling process (CMCP)] that couples Ca2+ to insulin secretion by pancreatic islets. The aim of the study was to test this hypothesis by testing the effect of inhibiting candidate Ca2+-sensitive proteins proposed to play a critical role in the CMCP. The effects of the inhibitors on oxygen consumption rate (OCR), a reflection of ATP usage, and insulin secretion rate (ISR) were compared with those seen when L-type Ca2+ channels were blocked with nimodipine. We reasoned that if a downstream Ca2+-regulated site was responsible for the OCR associated with the CMCP, then its inhibition should mimic the effect of nimodipine. Consistent with previous findings, nimodipine decreased glucose-stimulated OCR by 36% and cytosolic Ca2+ by 46% and completely suppressed ISR in rat pancreatic islets. Inhibitors of three calmodulin-sensitive proteins (myosin light-chain kinase, calcineurin, and Ca2+/calmodulin-dependent protein kinase II) did not meet the criteria. In contrast, KN-62 severed the connection between Ca2+ influx, OCR, and ISR without interfering with Ca2+ influx. In the presence of nimodipine or KN-62, potentiators of ISR, acetylcholine, GLP-1, and arginine had little effect on insulin secretion, suggesting that the CMCP is also essential for the amplification of ISR. In conclusion, a KN-62-sensitive process directly mediates the effects of Ca2+ influx via L-type Ca2+ channels on OCR and ISR, supporting the essential role of the CMCP in mediating ISR. PMID:19584201

  18. Coupling Aerosol-Cloud-Radiative Processes in the WRF-Chem Model: Investigating the Radiative Impact of Elevated Point Sources

    SciTech Connect

    Chapman, Elaine G.; Gustafson, William I.; Easter, Richard C.; Barnard, James C.; Ghan, Steven J.; Pekour, Mikhail S.; Fast, Jerome D.

    2009-02-01

    The local and regional influence of elevated point sources on summertime aerosol forcing and cloud-aerosol interactions in northeastern North America was investigated using the WRF-Chem community model. The direct effects of aerosols on incoming solar radiation were simulated using existing modules to relate aerosol sizes and chemical composition to aerosol optical properties. Indirect effects were simulated by adding a prognostic treatment of cloud droplet number and adding modules that activate aerosol particles to form cloud droplets, simulate aqueous phase chemistry, and tie a two-moment treatment of cloud water (cloud water mass and cloud droplet number) to an existing radiation scheme. Fully interactive feedbacks thus were created within the modified model, with aerosols affecting cloud droplet number and cloud radiative properties, and clouds altering aerosol size and composition via aqueous processes, wet scavenging, and gas-phase-related photolytic processes. Comparisons of a baseline simulation with observations show that the model captured the general temporal cycle of aerosol optical depths (AODs) and produced clouds of comparable thickness to observations at approximately the proper times and places. The model slightly overpredicted SO2 mixing ratios and PM2.5 mass, but reproduced the range of observed SO2 to sulfate aerosol ratios, suggesting that atmospheric oxidation processes leading to aerosol sulfate formation are captured in the model. The baseline simulation was compared to a sensitivity simulation in which all emissions at model levels above the surface layer were set to zero, thus removing stack emissions. Instantaneous, site-specific differences for aerosol and cloud related properties between the two simulations could be quite large, as removing above-surface emission sources influenced when and where clouds formed within the modeling domain. When summed spatially over the finest resolution model domain (the extent of which corresponds to

  19. CFD analysis of a solid oxide fuel cell with internal reforming: Coupled interactions of transport, heterogeneous catalysis and electrochemical processes

    NASA Astrophysics Data System (ADS)

    Janardhanan, Vinod M.; Deutschmann, Olaf

    Direct internal reforming in solid oxide fuel cell (SOFC) results in increased overall efficiency of the system. Present study focus on the chemical and electrochemical process in an internally reforming anode supported SOFC button cell running on humidified CH 4 (3% H 2 O). The computational approach employs a detailed multi-step model for heterogeneous chemistry in the anode, modified Butler-Volmer formalism for the electrochemistry and Dusty Gas Model (DGM) for the porous media transport. Two-dimensional elliptic model equations are solved for a button cell configuration. The electrochemical model assumes hydrogen as the only electrochemically active species. The predicted cell performances are compared with experimental reports. The results show that model predictions are in good agreement with experimental observation except the open circuit potentials. Furthermore, the steam content in the anode feed stream is found to have remarkable effect on the resulting overpotential losses and surface coverages of various species at the three-phase boundary.

  20. Advances in ultra-high performance liquid chromatography coupled to tandem mass spectrometry for sensitive detection of several food allergens in complex and processed foodstuffs.

    PubMed

    Planque, M; Arnould, T; Dieu, M; Delahaut, P; Renard, P; Gillard, N

    2016-09-16

    Sensitive detection of food allergens is affected by food processing and foodstuff complexity. It is therefore a challenge to detect cross-contamination in food production that could endanger an allergic customer's life. Here we used ultra-high performance liquid chromatography coupled to tandem mass spectrometry for simultaneous detection of traces of milk (casein, whey protein), egg (yolk, white), soybean, and peanut allergens in different complex and/or heat-processed foodstuffs. The method is based on a single protocol (extraction, trypsin digestion, and purification) applicable to the different tested foodstuffs: chocolate, ice cream, tomato sauce, and processed cookies. The determined limits of quantitation, expressed in total milk, egg, peanut, or soy proteins (and not soluble proteins) per kilogram of food, are: 0.5mg/kg for milk (detection of caseins), 5mg/kg for milk (detection of whey), 2.5mg/kg for peanut, 5mg/kg for soy, 3.4mg/kg for egg (detection of egg white), and 30.8mg/kg for egg (detection of egg yolk). The main advantage is the ability of the method to detect four major food allergens simultaneously in processed and complex matrices with very high sensitivity and specificity.

  1. Advances in ultra-high performance liquid chromatography coupled to tandem mass spectrometry for sensitive detection of several food allergens in complex and processed foodstuffs.

    PubMed

    Planque, M; Arnould, T; Dieu, M; Delahaut, P; Renard, P; Gillard, N

    2016-09-16

    Sensitive detection of food allergens is affected by food processing and foodstuff complexity. It is therefore a challenge to detect cross-contamination in food production that could endanger an allergic customer's life. Here we used ultra-high performance liquid chromatography coupled to tandem mass spectrometry for simultaneous detection of traces of milk (casein, whey protein), egg (yolk, white), soybean, and peanut allergens in different complex and/or heat-processed foodstuffs. The method is based on a single protocol (extraction, trypsin digestion, and purification) applicable to the different tested foodstuffs: chocolate, ice cream, tomato sauce, and processed cookies. The determined limits of quantitation, expressed in total milk, egg, peanut, or soy proteins (and not soluble proteins) per kilogram of food, are: 0.5mg/kg for milk (detection of caseins), 5mg/kg for milk (detection of whey), 2.5mg/kg for peanut, 5mg/kg for soy, 3.4mg/kg for egg (detection of egg white), and 30.8mg/kg for egg (detection of egg yolk). The main advantage is the ability of the method to detect four major food allergens simultaneously in processed and complex matrices with very high sensitivity and specificity. PMID:27554027

  2. New directing groups for metal-catalyzed asymmetric carbon-carbon bond-forming processes: stereoconvergent alkyl-alkyl Suzuki cross-couplings of unactivated electrophiles.

    PubMed

    Wilsily, Ashraf; Tramutola, Francesco; Owston, Nathan A; Fu, Gregory C

    2012-04-01

    The ability of two common protected forms of amines (carbamates and sulfonamides) to serve as directing groups in Ni-catalyzed Suzuki reactions has been exploited in the development of catalytic asymmetric methods for cross-coupling unactivated alkyl electrophiles. Racemic secondary bromides and chlorides undergo C-C bond formation in a stereoconvergent process in good ee at room temperature in the presence of a commercially available Ni complex and chiral ligand. Structure-enantioselectivity studies designed to elucidate the site of binding to Ni (the oxygen of the carbamate and of the sulfonamide) led to the discovery that sulfones also serve as useful directing groups for asymmetric Suzuki cross-couplings of racemic alkyl halides. To our knowledge, this investigation provides the first examples of the use of sulfonamides or sulfones as effective directing groups in metal-catalyzed asymmetric C-C bond-forming reactions. A mechanistic study established that transmetalation occurs with retention of stereochemistry and that the resulting Ni-C bond does not undergo homolysis in subsequent stages of the catalytic cycle.

  3. Palladium-catalyzed C(sp3)-H arylation of diarylmethanes at room temperature: synthesis of triarylmethanes via deprotonative-cross-coupling processes.

    PubMed

    Zhang, Jiadi; Bellomo, Ana; Creamer, Andrea D; Dreher, Spencer D; Walsh, Patrick J

    2012-08-22

    Although metal-catalyzed direct arylation reactions of non- or weakly acidic C-H bonds have recently received much attention, chemists have relied heavily on substrates with appropriately placed directing groups to steer reactivity. To date, examples of intermolecular arylation of unactivated C(sp(3))-H bonds in the absence of a directing group remain scarce. We report herein the first general, high-yielding, and scalable method for palladium-catalyzed C(sp(3))-H arylation of simple diarylmethane derivatives with aryl bromides at room temperature. This method facilitates access to a variety of sterically and electronically diverse hetero- and nonheteroaryl-containing triarylmethanes, a class of compounds with various applications and interesting biological activity. Key to the success of this approach is an in situ metalation of the substrate via C-H deprotonation under catalytic cross-coupling conditions, which is referred to as a deprotonative-cross-coupling process (DCCP). Base and catalyst identification were performed by high-throughput experimentation (HTE) and led to a unique base/catalyst combination [KN(SiMe(3))(2)/Pd-NiXantphos] that proved to efficiently promote the room-temperature DCCP of diarylmethanes. Additionally, the DCCP exhibits remarkable chemoselectivity in the presence of substrates that are known to undergo O-, N-, enolate-, and C(sp(2))-H arylation.

  4. Dynamics of coupled ice-ocean system in the marginal ice zone: Study of the mesoscale processes and of constitutive equations for sea ice

    NASA Technical Reports Server (NTRS)

    Hakkinen, S.

    1984-01-01

    This study is aimed at the modelling of mesoscale processed such as up/downwelling and ice edge eddies in the marginal ice zones. A 2-dimensional coupled ice-ocean model is used for the study. The ice model is coupled to the reduced gravity ocean model (f-plane) through interfacial stresses. The constitutive equations of the sea ice are formulated on the basis of the Reiner-Rivlin theory. The internal ice stresses are important only at high ice concentrations (90-100%), otherwise the ice motion is essentially free drift, where the air-ice stress is balanced by the ice-water stress. The model was tested by studying the upwelling dynamics. Winds parallel to the ice edge with the ice on the right produce upwilling because the air-ice momentum flux is much greater that air-ocean momentum flux, and thus the Ekman transport is bigger under the ice than in the open water. The upwelling simulation was extended to include temporally varying forcing, which was chosen to vary sinusoidally with a 4 day period. This forcing resembles successive cyclone passings. In the model with a thin oceanic upper layer, ice bands were formed.

  5. Photophysical and photochemical aspects of coupled semiconductors. Charge-transfer processes in colloidal CdS-TiO sub 2 and CdS-AgI systems

    SciTech Connect

    Gopidas, K.R.; Bohorquez, M.; Kamat, P.V. )

    1990-08-09

    The mechanistic and kinetic details of the charge injection from excited CdS into a large bandgap semiconductor such as AgI and TiO{sub 2} have been investigated by coupling the two semiconductor systems in the colloidal form. The interaction between the two colloids led to the quenching of CdS emission. The rate constants for the charge injection from excited CdS into the conduction band of AgI and TiO{sub 2} colloids were determined to be 2.2 {times} 10{sup 7} and >5 {times} 10{sup 10} s{sup {minus}1}, respectively. Transmission electron microscopic analysis indicated the possibility of several CdS colloidal particles interacting with a single particle of TiO{sub 2} and participating in the charge injection process. Primary photochemical events in the CdS-TiO{sub 2} system were investigated by picosecond laser flash photolysis. The charge injected into the TiO{sub 2} colloid and trapped at the Ti{sup 4+} site was characterized from its broad absorption in the region of 500-760 nm. The extended lifetime of these trapped charge carriers indicated an improved charge separation in the coupled semiconductor system.

  6. [Effect of different volume loading of aerobic/anaerobic zone on nitrogen and phosphorus removal by biofilm and granular sludge coupling process].

    PubMed

    Yin, Hang; Liu, Chang; Gao, Hui; Gao, Da-Wen

    2014-05-01

    The effect of different aerobic/anaerobic zone volume loading on nitrogen and phosphorus removal by biological film and granular coupling process was investigated using a self-designed Biofilm/Granular sludge coupling reactor. Three operating modes were conducted in the experiment. In operating mode I ,the volume of aerobic zone was 9. 66 L, and the volume of anaerobic zone was 15. 34 L. In operating mode II , the volume of aerobic zone was 12. 56 L, and the volume of anaerobic zone was 12. 44 L. In operating mode III , the volume of aerobic zone was 15.42 L, and the volume of anaerobic zone was 9.58 L. Three operating modes expressed different volume loading of the reactor because of different aerobic/anaerobic zone. The results showed that the performance of ammonia nitrogen and phosphorus removal was a bit poor in operating mode I , the effluent nitrate nitrogen was higher in operating mode III compared with other modes, which brought the total nitrogen removal efficiency lower. The operating mode II was optimal for nitrogen and phosphorus removal. In operating mode II , the ammonia nitrogen removal efficiency was about 80. 63% , the volume loading rate of nitrogen removal was about 150. 27 g(m3 d)-1, and the COD removal efficiency was higher than 83.24%; the amounts of phosphorus release and uptake under anaerobic conditions were 7. 23 mg L-1 and 11. 93 mg L-1.

  7. A coupled model of the airborne and surface concentration of radionuclides considering the resuspension-deposition process

    NASA Astrophysics Data System (ADS)

    Ichige, Hiroyuki; Hatano, Yuko; Onda, Yuichi

    2014-05-01

    We propose a new model of estimating the long-term behavior of both the airborne and the surface concentrations of radionuclides in the vicinity of 30 km of Fukushima plant. Our model consists of the following simultaneous equations: δC- = viδC-+ ΛupS - ΛdownC - ΛdecC (1) δt δxi δS- = - Λ S + Λ C - Λ S, (2) δt up down env where C is the airborne concentration of a specific nuclide, S the surface concentration, the suffix i is 1 or 2 (2 dimensional), v the effective wind velocity which migrates the radionuclides in the air, Λup the rate constant of resuspension process, Λdown of deposition process, Λdec the decay constant, and Λenv is the rate constant of the surface concentration decrease due to environmental factors such as runoff, washoff, infiltrations, and the vegetation effects. These equations are based on our former study (Hatano and Hatano, 1997; Hatano et al., 1998) which successfully reproduce the long-term decrease of airborne concentration of the Chernobyl data such as Cs-137, Cs-134, Ce-144, and Ru-106 over nearly a decade. The first equation of the present study is essentially the same as our previous studies, besides that we added a new term for deposition. The second equation is newly added in the present study which describes the behavior of the surface concentration. In Fukushima case, we found that the radiation risk is much higher than the airborne concentration. That is why we add the second equation. Since the new model requires parameter values of Λs we need to estimate these values from actual data. In order to do so, we apply the method of inverse problem and thereby estimate the values. We also do the spectral analysis of the dose rate (mainly from Cs-137, -134) and study if it is possible to estimate the resuspended amount from the ground surface.

  8. Optimization of Surface Roughness Parameters of Al-6351 Alloy in EDC Process: A Taguchi Coupled Fuzzy Logic Approach

    NASA Astrophysics Data System (ADS)

    Kar, Siddhartha; Chakraborty, Sujoy; Dey, Vidyut; Ghosh, Subrata Kumar

    2016-06-01

    This paper investigates the application of Taguchi method with fuzzy logic for multi objective optimization of roughness parameters in electro discharge coating process of Al-6351 alloy with powder metallurgical compacted SiC/Cu tool. A Taguchi L16 orthogonal array was employed to investigate the roughness parameters by varying tool parameters like composition and compaction load and electro discharge machining parameters like pulse-on time and peak current. Crucial roughness parameters like Centre line average roughness, Average maximum height of the profile and Mean spacing of local peaks of the profile were measured on the coated specimen. The signal to noise ratios were fuzzified to optimize the roughness parameters through a single comprehensive output measure (COM). Best COM obtained with lower values of compaction load, pulse-on time and current and 30:70 (SiC:Cu) composition of tool. Analysis of variance is carried out and a significant COM model is observed with peak current yielding highest contribution followed by pulse-on time, compaction load and composition. The deposited layer is characterised by X-Ray Diffraction analysis which confirmed the presence of tool materials on the work piece surface.

  9. Removal and transformation of recalcitrant organic matter from stabilized saline landfill leachates by coagulation-ozonation coupling processes.

    PubMed

    Monje-Ramirez, I; Orta de Velásquez, M T

    2004-05-01

    The Bordo Poniente sanitary landfill in Mexico City currently receives 11,500 ton/day of solid wastes. The landfill has been in operation since 1985, in what was formerly Texcoco Lake, now a dried-up lakebed. The physico-chemical characteristics of the leachate generated by this particular landfill are altered by the incorporation of freatic saline water present in the area. This paper reports the results from a study evaluating coagulation and ozonation as alternative processes for removing and transforming recalcitrant organic matter from stabilized saline landfill leachate. Coagulation with ferric sulfate was found to remove up to 67% of COD and 96% of leachate color. The remaining 33% COD was removed with ozone. Recalcitrant organic matter removal by ozonation is limited by the reaction kinetic due mainly to ozone's low reactivity with the organic compounds present in the leachates (amines, amides, alcohols, aliphatic compounds, and carboxylic acids). However, ozone contributes greatly to changing the recalcitrant characteristics of organic matter. Leachate biodegradability was found to be significantly enhanced through ozonation: BOD(5) values reach 265%, and the BOD(5)/COD ratio increases from 0.003 to 0.015. Infrared analysis of ozonated leachates shows that the main by-products of recalcitrant organic matter ozonation are an increase in the hydroxyl and carboxylic groups, and the presence of aldehydes groups.

  10. Hydrothermal treatment coupled with mechanical expression at increased temperature for excess sludge dewatering: influence of operating conditions and the process energetics.

    PubMed

    Wang, Liping; Zhang, Lei; Li, Aimin

    2014-11-15

    Dewatering is very important for excess sludge treatment and disposal. Hydrothermal treatment coupled with mechanical expression is a novel technology, in which a conventional pressure dewatering is combined with hydrothermal effect to realize an improved liquid/solids separation with low energy consumption. In this study, the process was performed by way of that the excess sludge was hydrothermally treated first and then the mechanical expression was employed immediately at increased temperature in two separate cells respectively. The results demonstrated that the mechanical expression employed at increased temperature showed a significant advantage than that at room temperature, given a further reduction of 19-47% of the moisture content. The dewatering process at room temperature was mostly depended on the effect of mechanical expression. Hydrothermal process, more importantly than mechanical effect at increased temperatures, seemed to govern the extent to which the dewatering process occurred. The dewatering began to show a positive effect when the temperature was exceeded the threshold temperature (between 120 and 150 °C). The residence time of 30 min promoted a substantial conversion in the sludge surface properties. After dewatering at temperatures of 180-210 °C, the moisture content decreased from 52 to 20% and the corresponding total water removal as filtrate was between 81 and 93%. It was observed that the moisture content of filter cake correlated with surface charge (Rp = -0.93, p < 0.05) and relative hydrophobicity (Rp = -0.99, p < 0.05). The calculated energy balance suggested that no additional external energy input is needed to support the dewatering process for excess sludge. The dewatering process needs an obviously lower energy input compared to thermal drying and electro-dewatering to produce a higher solids content cake.

  11. On the connection between continental-scale land surface processes and the tropical climate in a coupled ocean-atmosphere-land system

    SciTech Connect

    Ma, Hsi-Yen; Mechoso, C. R.; Xue, Yongkang; Xiao, Heng; Neelin, David; Ji, Xuan

    2013-11-15

    The impact of global tropical climate to perturbations in land surface processes (LSP) are evaluated using perturbations given by different LSP representations of continental-scale in a global climate model that includes atmosphere-ocean interactions. One representation is a simple land scheme, which specifies climatological albedos and soil moisture availability. The other representation is the more comprehensive Simplified Simple Biosphere Model, which allows for interactive soil moisture and vegetation biophysical processes. The results demonstrate that LSP processes such as interactive soil moisture and vegetation biophysical processes have strong impacts on the seasonal mean states and seasonal cycles of global precipitation, clouds, and surface air temperature. The impact is especially significant over the tropical Pacific. To explore the mechanisms for such impact, different LSP representations are confined to selected continental-scale regions where strong interactions of climate-vegetation biophysical processes are present. We find that the largest impact is mainly from LSP perturbations over the tropical African continent. The impact is through anomalous convective heating in tropical Africa due to changes in the surface heat fluxes, which in turn affect basinwide teleconnections in the Pacific through equatorial wave dynamics. The modifications in the equatorial Pacific climate are further enhanced by strong air-sea coupling between surface wind stress and upwelling, as well as effect of ocean memory. Our results further suggest that correct representations of land surface processes, land use change and the associated changes in the deep convection over tropical Africa are crucial to reducing the uncertainty when performing future climate projections under different climate change scenarios.

  12. MODFLOW–USG version 1: An unstructured grid version of MODFLOW for simulating groundwater flow and tightly coupled processes using a control volume finite-difference formulation

    USGS Publications Warehouse

    Panday, Sorab; Langevin, Christian D.; Niswonger, Richard G.; Ibaraki, Motomu; Hughes, Joseph D.

    2013-01-01

    A new version of MODFLOW, called MODFLOW–USG (for UnStructured Grid), was developed to support a wide variety of structured and unstructured grid types, including nested grids and grids based on prismatic triangles, rectangles, hexagons, and other cell shapes. Flexibility in grid design can be used to focus resolution along rivers and around wells, for example, or to subdiscretize individual layers to better represent hydrostratigraphic units. MODFLOW–USG is based on an underlying control volume finite difference (CVFD) formulation in which a cell can be connected to an arbitrary number of adjacent cells. To improve accuracy of the CVFD formulation for irregular grid-cell geometries or nested grids, a generalized Ghost Node Correction (GNC) Package was developed, which uses interpolated heads in the flow calculation between adjacent connected cells. MODFLOW–USG includes a Groundwater Flow (GWF) Process, based on the GWF Process in MODFLOW–2005, as well as a new Connected Linear Network (CLN) Process to simulate the effects of multi-node wells, karst conduits, and tile drains, for example. The CLN Process is tightly coupled with the GWF Process in that the equations from both processes are formulated into one matrix equation and solved simultaneously. This robustness results from using an unstructured grid with unstructured matrix storage and solution schemes. MODFLOW–USG also contains an optional Newton-Raphson formulation, based on the formulation in MODFLOW–NWT, for improving solution convergence and avoiding problems with the drying and rewetting of cells. Because the existing MODFLOW solvers were developed for structured and symmetric matrices, they were replaced with a new Sparse Matrix Solver (SMS) Package developed specifically for MODFLOW–USG. The SMS Package provides several methods for resolving nonlinearities and multiple symmetric and asymmetric linear solution schemes to solve the matrix arising from the flow equations and the Newton

  13. Deep Crustal Magma Conduits, Diabase Internal Structure, and Coupled Hydrothermal Processes in Mesozoic Basins of Eastern North America

    NASA Astrophysics Data System (ADS)

    Ryan, M. P.; Ingerov, A.; Daniels, D. L.; Carr, P. M.; Elliott, G.; Fox, L.; Pierce, H. A.; Sutphin, D. M.

    2004-05-01

    Gettysburg basin has been interpreted from wavelength-filtered aeromagnetic data processing. Lopoliths may be solitary, intersecting, or ``nested'' in concentrically-arranged groups. Collectively, the Gettysburg basin is intruded by some 8 major diabase complexes. Contemporary compartmentalization and fracture flow. Relatively low permeability diabase (10-17}processes. Finite element simulations of hydrothermal flow around and through diabase-compartmentalized basins define the geometric relations promoting subsurface fluid flow and include the roles played by sheets, lopoliths, and en-echelon--arranged dike complexes in regulating aqueous fluid leakage across basins.

  14. Direct functionalization processes: a journey from palladium to copper to iron to nickel to metal-free coupling reactions.

    PubMed

    Mousseau, James J; Charette, André B

    2013-02-19

    , which led to the first description of a direct copper-catalyzed alkenylation onto an electron-deficient arene. This particular directing group offers two advantages: (1) it can be easily appended and removed to reveal the desired pyridine target, and (2) it can be incorporated in a cascade process in the preparation of pharmacologically relevant 2-pyrazolo[1,5-a]pyridines. This work has solved some of the challenges in the direct arylation of nonheterocyclic arenes, including reversing the reactivity often observed with such transformations. Readily convertible directing groups were applied to facilitate the transformation. We also demonstrated that iron can promote intermolecular arylations effectively and that the omission of any metal still permits intramolecular arylation reactions. Lastly, we recently discovered a nickel-catalyzed intramolecular arylation of sp(3) C-H bonds. Our mechanistic investigations of these processes have elucidated radical pathways, opening new avenues in future direct C-H functionalization reactions. PMID:23098328

  15. Electrokinetic treatment of polluted soil at pilot level coupled to an advanced oxidation process of its wastewater

    NASA Astrophysics Data System (ADS)

    Ochoa, B.; Ramos, L.; Garibay, A.; Pérez-Corona, M.; Cuevas, M. C.; Cárdenas, J.; Teutli, M.; Bustos, E.

    2016-02-01

    Soil contaminated with hydrocarbons is a current problem of great importance. These contaminants may be toxic, can retain water and block gas exchange with the atmosphere, which produces a poor-quality soil unsuitable for ecological health. Electroremediation is among the treatments for the removal of such contaminants. In this research, a pilot-level electroremediation test was applied using a circular arrangement of electrodes with a Ti cathode at the middle of the cell surrounded by six IrO2-Ta2O5 | Ti anodes. The presence of an NaOH electrolyte helps to develop the electromigration and electro-osmosis of gasoline molecules (at 1126 mg kg-1) surrounded by Na+ ions. The hydrocarbons are directed towards the cathode and subsequently removed in an aqueous Na+ - hydrocarbon solution, and the -OH migrates to the anode. During electrokinetic treatment, the physicochemical characteristics of the soil close to either the cathode or anode and at the half-cell were evaluated during the three weeks of treatment. During that time, more than 80% of hydrocarbons were removed. Hydrocarbons removed by the electrokinetic treatment of gasoline-polluted soil were collected in a central wastewater compartment and subsequently treated with a Fenton-type advanced oxidation process. This achieved more than 70% mineralization of the hydrocarbons to CO2 and H2O within 1.5 h; its low toxicity status was verified using the Deltatox® kit test. With this approach, the residual water complied with the permissible limits of COD, pH, and electrical conductivity for being discharged into water bodies, according to Mexican norm NOM-001-SEMARNAT-1996.

  16. Electrokinetic treatment of polluted soil at pilot level coupled to an advanced oxidation process of its wastewater

    NASA Astrophysics Data System (ADS)

    Ochoa, B.; Ramos, L.; Garibay, A.; Pérez-Corona, M.; Cuevas, M. C.; Cárdenas, J.; Teutli, M.; Bustos, E.

    2016-02-01

    Soil contaminated with hydrocarbons is a current problem of great importance. These contaminants may be toxic, can retain water and block gas exchange with the atmosphere, which produces a poor-quality soil unsuitable for ecological health. Electroremediation is among the treatments for the removal of such contaminants. In this research, a pilot-level electroremediation test was applied using a circular arrangement of electrodes with a Ti cathode at the middle of the cell surrounded by six IrO2-Ta2O5 | Ti anodes. The presence of an NaOH electrolyte helps to develop the electromigration and electro-osmosis of gasoline molecules (at 1126 mg kg-1) surrounded by Na+ ions. The hydrocarbons are directed towards the cathode and subsequently removed in an aqueous Na+ - hydrocarbon solution, and the -OH migrates to the anode. During electrokinetic treatment, the physicochemical characteristics of the soil close to either the cathode or anode and at the half-cell were evaluated during the three weeks of treatment. During that time, more than 80% of hydrocarbons were removed. Hydrocarbons removed by the electrokinetic treatment of gasoline-polluted soil were collected in a central wastewater compartment and subsequently treated with a Fenton-type advanced oxidation process. This achieved more than 70% mineralization of the hydrocarbons to CO2 and H2O within 1.5 h; its low toxicity status was verified using the Deltatox® kit test. With this approach, the residual water complied with the permissible limits of COD, pH, and electrical conductivity for being discharged into water bodies, according to Mexican norm NOM-001-SEMARNAT-1996.

  17. Coupling Fluvial Processes and Landslide Distribution Toward Geomorphological Hazard Assessment: Cases in Tectonically Active Mountain Ranges in Taiwan and Japan

    NASA Astrophysics Data System (ADS)

    Tsou, C. Y.; Chigira, M.; Matsushi, Y.; Arai, N.; Chen, S. C.; Feng, Z. Y.

    2015-12-01

    Large-scale destabilization of mountain slopes, which are affected by long-term river incision, give rise to the risk of catastrophic failures in tectonically active ranges. We found deep-seated gravitational slope deformations (DGSDs) induced by these processes in the Chishan River and Dahan River in the Central Range in Taiwan and the Kumano River in the Kii Mts. in Japan. These areas comprise paleosurface remnants with moderate relief at higher elevations and incised V-shaped inner gorges below them, which were made by the recession of knickpoints. Our studies include field surveys, mapping of DGSD and landslide scars, and cosmogenic nuclide exposure dating of several landform surfaces. In the Dahan River catchment, rims of paleosurfaces, which have a minimum age of ca. 150 kyr, are distributed up to 600 m above the present river bed, acting as a proxy of fluvial dissection associated with phases of river incision since the middle to late Pleistocene. The relationships between slope movements and the topography modified by the river incision show that about 53% of all DGSDs, or all large DGSDs (>106 m2) and catastrophic landslides occurred on slopes along the rims of paleosurfaces, suggesting they could be fundamentally controlled by long-term river incision. Catastrophic landslides observed along or below the rims of paleosurfaces were preceded by buckling of alternating beds of sandstone and mudstone on parallel or underdip cataclinal slopes dipped at 50° to 58°. This suggests that the peripheral zones of the paleosurfaces may be most susceptible to future catastrophic landslides, particularly on parallel or underdip cataclinal slopes comprising alternating beds of sandstone and mudstone dipping at 50° to 60°. The 2009 Typhoon Morakot-induced Shiaolin landslide along the Chishan River and the 2011 Typhoon Talas-induced catastrophic landslides along the Kumano River also occurred on the gravitationally deformed slopes along the rims of paleosurfaces.

  18. Dynamic modeling of nitrogen losses in river networks unravels the coupled effects of hydrological and biogeochemical processes

    USGS Publications Warehouse

    Alexander, R.B.; Böhlke, J.K.; Boyer, E.W.; David, M.B.; Harvey, J.W.; Mulholland, P.J.; Seitzinger, S.P.; Tobias, C.R.; Tonitto, C.; Wollheim, W.M.

    2009-01-01

    The importance of lotic systems as sinks for nitrogen inputs is well recognized. A fraction of nitrogen in streamflow is removed to the atmosphere via denitrification with the remainder exported in streamflow as nitrogen loads. At the watershed scale, there is a keen interest in understanding the factors that control the fate of nitrogen throughout the stream channel network, with particular attention to the processes that deliver large nitrogen loads to sensitive coastal ecosystems. We use a dynamic stream transport model to assess biogeochemical (nitrate loadings, concentration, temperature) and hydrological (discharge, depth, velocity) effects on reach-scale denitrification and nitrate removal in the river networks of two watersheds having widely differing levels of nitrate enrichment but nearly identical discharges. Stream denitrification is estimated by regression as a nonlinear function of nitrate concentration, streamflow, and temperature, using more than 300 published measurements from a variety of US streams. These relations are used in the stream transport model to characterize nitrate dynamics related to denitrification at a monthly time scale in the stream reaches of the two watersheds. Results indicate that the nitrate removal efficiency of streams, as measured by the percentage of the stream nitrate flux removed via denitrification per unit length of channel, is appreciably reduced during months with high discharge and nitrate flux and increases during months of low-discharge and flux. Biogeochemical factors, including land use, nitrate inputs, and stream concentrations, are a major control on reach-scale denitrification, evidenced by the disproportionately lower nitrate removal efficiency in streams of the highly nitrate-enriched watershed as compared with that in similarly sized streams in the less nitrate-enriched watershed. Sensitivity analyses reveal that these important biogeochemical factors and physical hydrological factors contribute nearly

  19. On the importance of coupled THM processes to predict the long-term response of a generic salt repository for high-level nuclear waste

    NASA Astrophysics Data System (ADS)

    Blanco Martin, L.; Rutqvist, J.; Birkholzer, J. T.

    2013-12-01

    Salt is a potential medium for the underground disposal of nuclear waste because it has several assets, in particular its ability to creep and heal fractures generated by excavation and its water and gas tightness in the undisturbed state. In this research, we focus on disposal of heat-generating nuclear waste (such as spent fuel) and we consider a generic salt repository with in-drift emplacement of waste packages and subsequent backfill of the drifts with run-of-mine crushed salt. As the natural salt creeps, the crushed salt backfill gets progressively compacted and an engineered barrier system is subsequently created. In order to evaluate the integrity of the natural and engineered barriers over the long-term, it is important to consider the coupled effects of the thermal, hydraulic and mechanical processes that take place. In particular, the results obtained so far show how the porosity reduction of the crushed salt affects the saturation and pore pressure evolution throughout the repository, both in time and space. Such compaction is induced by the stress and temperature regime within the natural salt. Also, transport properties of the host rock are modified not only by thermo-mechanically and hydraulically-induced damaged processes, but also by healing/sealing of existing fractures. In addition, the THM properties of the backfill evolve towards those of the natural salt during the compaction process. All these changes are based on dedicated laboratory experiments and on theoretical considerations [1-3]. Different scenarios are modeled and compared to evaluate the relevance of different processes from the perspective of effective nuclear waste repositories. The sensitivity of the results to some parameters, such as capillarity, is also addressed. The simulations are conducted using an updated version of the TOUGH2-FLAC3D simulator, which is based on a sequential explicit method to couple flow and geomechanics [4]. A new capability for large strains and creep

  20. Annual and semi-annual variability in the lower and upper atmosphere-ionosphere coupling processes by observations from Abastumani (41.75 N, 42.82 E)

    NASA Astrophysics Data System (ADS)

    Didebulidze, G. G.; Todua, M.; Javakhishvili, G.

    2015-12-01

    The importance of annual and semi-annual variability in the long-term variations of the ionosphere F2 layer parameters (NmF2, hmF2), the hydroxyl OH bands, the oxygen green 557.7 nm and red 630.0 line intensities observed from Abastumani is noted. The amplitudes of the semi-annual variations of these upper atmosphere-ionosphere parameters with maxima at equinoctial months depend on the value of the planetary geomagnetic Ap index, also observed in the inter-annual distribution of the total ozone content (TOC) and cloud covering over this region of South Caucasus. The observed dependence of semi-annual variations of these parameters on Ap index indicated possible influence of cosmic factors on the lower and upper atmosphere-ionosphere coupling processes.

  1. A versatile approach to Ullmann C-N couplings at room temperature: new families of nucleophiles and electrophiles for photoinduced, copper-catalyzed processes.

    PubMed

    Ziegler, Daniel T; Choi, Junwon; Muñoz-Molina, José María; Bissember, Alex C; Peters, Jonas C; Fu, Gregory C

    2013-09-01

    The use of light to facilitate copper-catalyzed cross-couplings of nitrogen nucleophiles can enable C-N bond formation to occur under unusually mild conditions. In this study, we substantially expand the scope of such processes, establishing that this approach is not limited to reactions of carbazoles with iodobenzene and alkyl halides. Specifically, we demonstrate for the first time that other nitrogen nucleophiles (e.g., common pharmacophores such as indoles, benzimidazoles, and imidazoles) as well as other electrophiles (e.g., hindered/deactivated/heterocyclic aryl iodides, an aryl bromide, an activated aryl chloride, alkenyl halides, and an alkynyl bromide) serve as suitable partners. Photoinduced C-N bond formation can be achieved at room temperature using a common procedure with an inexpensive catalyst (CuI) that does not require a ligand coadditive and is tolerant of moisture and a variety of functional groups. PMID:23968565

  2. Numerical Simulation of Tuff Dissolution and Precipitation Experiments: Validation of Thermal-Hydrologic-Chemical (THC) Coupled-Process Modeling

    NASA Astrophysics Data System (ADS)

    Dobson, P. F.; Kneafsey, T. J.

    2001-12-01

    to evaluate larger-scale silica sealing observed in a portion of the Yellowstone geothermal system, a natural analog for the precipitation-experiment processes.

  3. Results from an International Simulation Study on Coupled Thermal,Hydrological, and Mechanical (THM) Processes near Geological NuclearWaste Repositories

    SciTech Connect

    Rutqvist, Jonny; Rutqvist, J.; Barr, D.; Birkholzer, J.T.; Chijimatsu, M.; Kolditz, O.; Liu, Q.-S; Oda, Y.; Wang, W.; Zhang, C.-Y.

    2007-10-23

    As part of the ongoing international DECOVALEX project, four research teams used five different models to simulate coupled thermal, hydrological, and mechanical (THM) processes near waste emplacement drifts of geological nuclear waste repositories. The simulations were conducted for two generic repository types, one with open and the other with back-filled repository drifts, under higher and lower postclosure temperatures, respectively. In the completed first model inception phase of the project, a good agreement was achieved between the research teams in calculating THM responses for both repository types, although some disagreement in hydrological responses is currently being resolved. In particular, good agreement in the basic thermal-mechanical responses was achieved for both repository types, even though some teams used relatively simplified thermal-elastic heat-conduction models that neglected complex near-field thermal-hydrological processes. The good agreement between the complex and simplified process models indicates that the basic thermal-mechanical responses can be predicted with a relatively high confidence level.

  4. Reconfigured, close-coupled reconfigured, and Wyodak coal integrated two-stage coal liquefaction process materials from the Wilsonville facility: Chemical and toxicological evaluation

    SciTech Connect

    Wright, C.W.

    1987-03-01

    This document reports the results of the chemical analysis and toxicological testing of process materials sampled during the operation of the Advanced Coal Liquefaction Research and Development Facility (Wilsonville, AL) in the reconfigured, integrated (RITSL run No. 247), the close-coupled, reconfigured, integrated (CCRITSL run No. 249), and the Wyodak coal integrated (ITSL run No. 246) two-stage liquefaction operating modes. Chemical methods of analysis included proton nuclear magnetic resonance spectroscopy, adsorption column chromatography, high resolution gas chromatography, gas chromatography/mass spectrometry, and low-voltage probe-inlet mass spectrometry. Toxicological evaluation of the process materials included a histidine reversion assay for microbial mutagenicity, an initiation/promotion assay for tumorigenicity in mouse skin, and an aquatic toxicity assay using Daphnia magna. The results of these analyses and tests are compared to the previously reported results derived from the Illinois No. 6 coal ITSL and nonintegrated two-stage liquefaction (NTSL) process materials from the Wilsonville facility. 21 refs., 13 figs., 21 tabs.

  5. Process controllability of inductively coupled plasma-enhanced reactive sputter deposition for the fabrication of amorphous InGaZnOx channel thin-film transistors

    NASA Astrophysics Data System (ADS)

    Takenaka, Kosuke; Nakata, Keitaro; Otani, Hirofumi; Osaki, Soichiro; Uchida, Giichiro; Setsuhara, Yuichi

    2016-01-01

    The process controllability of inductively coupled plasma-enhanced reactive sputter deposition for the fabrication of amorphous InGaZnOx (a-IGZO) channel thin-film transistors (TFTs) was investigated. a-IGZO film deposition with the addition of H2 gas was performed using a plasma-assisted reactive sputtering system to control the oxidation process during a-IGZO film formation by balancing the oxidation and reduction reactions. Optical emission spectroscopy measurements indicate the possibility for the oxidation reaction to be inhibited by a decrease in the density of oxygen atoms and the reduction effect of hydrogen during a-IGZO film deposition due to the addition of H2 gas. The characteristics of TFTs fabricated using a-IGZO films deposited with a plasma-enhanced magnetron sputtering deposition system were investigated. The results indicate the possibility of expanding the process window by controlling the balance between oxidation and reduction with the addition of H2 gas. TFTs with a-IGZO films that were deposited with the addition of H2 gas exhibited good performance with a field-effect mobility (μFE) of 15.3 cm2 V-1 s-1 and a subthreshold gate voltage swing (S) of 0.48 V decade-1.

  6. Effective ethanol production by reutilizing waste distillage anaerobic digestion effluent in an integrated fermentation process coupled with both ethanol and methane fermentations.

    PubMed

    Zhang, Cheng Ming; Mao, Zhong Gui; Wang, Xin; Zhang, Jian Hua; Sun, Fu Bao; Tang, Lei; Zhang, Hong Jian

    2010-11-01

    An integrated ethanol-methane fermentation coupled system characterized with full wastewater reutilization was proposed. The waste distillage originated from ethanol distillation was treated with anaerobic digestion and then recycled for medium preparation in the next ethanol fermentation run. This process could enhance wastewater reutilization, save fresh water and reduce energy consumption in the cassava-based ethanol production. The results indicated that, when using anaerobic effluents from the digestion process with only one tank, an ethanol concentration of 10.5% (v/v) compatible with that of conventional one could be achieved, but ethanol fermentation was partially inhibited and operation time gradually prolonged from 48 to 105 h. Using anaerobic effluents from the digestion process with two subsequently connected tanks, ethanol fermentation performance could be largely improved, and the fermentation lag could be completely eliminated. The performance enhancement was due to the concentrations reduction in organic acids, such as acetic and propionic acids in the digestion effluents using two digestion tanks in-series.

  7. Quantifying the dynamic coupling of hydrologic and biogeochemical processes in stream ecosystems: examples from streams in the McMurdo Dry Valleys, Antarctica

    NASA Astrophysics Data System (ADS)

    McKnight, D. M.; Lyons, W. B.; Gooseff, M. N.; Koch, J. C.; Neupauer, R.; Cozzetto, K.; Bencala, K.; Cullis, J. D.

    2014-12-01

    While continuous monitoring of stream flow and stream temperature has been a widely used resource for some time, currently there is great potential to expand continuous monitoring to include important water quality parameters such as nutrients and dissolved organic material. In many systems distinguishing between watershed and stream ecosystem controls can be challenging, and the usefulness of such monitoring can be enhanced by application of quantitative models to interpret observed patterns. The glacial meltwater streams of the McMurdo Dry Valleys, Antarctica, are surrounded by large expanses of patterned ground devoid of plants. In contrast, many streams have thriving cyanobacterial mats that are freeze-dried through the winter and begin photosynthesis with the onset of flow. Thus, the daily signal in terms of biogeochemical processes controlling water quality is generated within the stream. As part of the McMurdo Dry Valleys Long Term Ecological Research project, we have conducted field experiments and developed coupled biogeochemical transport models for the role of hyporheic exchange in controlling weathering of major ions, microbial cycling of nitrogen species, and streams temperature regulation. We have also adapted modelling approaches from sediment transport to understand mobilization of stream biomass with increasing flows. These models are relevant to understanding the role of in-stream processes in diverse stream systems where watershed processes also contribute to observed patterns.

  8. Close-coupled Catalytic Two-Stage Liquefaction (CTSL{trademark}) process bench studies. Final report, [October 1, 1988--July 31, 1993

    SciTech Connect

    Comolli, A.G.; Johanson, E.S.; Karolkiewicz, W.F.; Lee, L.K.; Popper, G.A.; Stalzer, R.H.; Smith, T.O.

    1993-06-01

    This is the final report of a four year and ten month contract starting on October 1, 1988 to July 31, 1993 with the US Department of Energy to study and improve Close-Coupled Catalytic Two-Stage Direct Liquefaction of coal by producing high yields of distillate with improved quality at lower capital and production costs in comparison to existing technologies. Laboratory, Bench and PDU scale studies on sub-bituminous and bituminous coals are summarized and referenced in this volume. Details are presented in the three topical reports of this contract; CTSL Process Bench Studies and PDU Scale-Up with Sub-Bituminous Coal-DE-88818-TOP-1, CTSL Process Bench Studies with Bituminous Coal-DE-88818-TOP-2, and CTSL Process Laboratory Scale Studies, Modelling and Technical Assessment-DE-88818-TOP-3. Results are summarized on experiments and studies covering several process configurations, cleaned coals, solid separation methods, additives and catalysts both dispersed and supported. Laboratory microautoclave scale experiments, economic analysis and modelling studies are also included along with the PDU-Scale-Up of the CTSL processing of sub-bituminous Black Thunder Mine Wyoming coal. During this DOE/HRI effort, high distillate yields were maintained at higher throughput rates while quality was markedly improved using on-line hydrotreating and cleaned coals. Solid separations options of filtration and delayed coking were evaluated on a Bench-Scale with filtration successfully scaled to a PDU demonstration. Directions for future direct coal liquefaction related work are outlined herein based on the results from this and previous programs.

  9. Understanding the interplays between Earth's shallow- and deep- rooted processes through global, quantitative model of the coupled brittle-lithosphere/viscous mantle system

    NASA Astrophysics Data System (ADS)

    Stotz, Ingo; Iaffaldano, Giampiero; Rhodri Davies, D.

    2016-04-01

    The volume of geophysical datasets has grown substantially, over recent decades. Our knowledge of continental evolution has increased due to advances in interpreting the records of orogeny and sedimentation. Ocean-floor observations now allow one to resolve past plate motions (e.g. in the North Atlantic and Indian Ocean over the past 20 Myr) at temporal resolutions of about 1 Myr. Altogether, these ever-growing datasets permit reconstructing the past evolution of Earth's lithospheric plates in greater detail. This is key to unravelling the dynamics of geological processes, because plate motions and their temporal changes are a powerful probe into the evolving force balance between shallow- and deep-rooted processes. However, such a progress is not yet matched by the ability to quantitatively model past plate-motion changes and, therefore, to test hypotheses on the dominant controls. The main technical challenge is simulating the rheological behaviour of the lithosphere/mantle system, which varies significantly from viscous to brittle. Traditionally computer models for viscous mantle flow and on the one hand, and for the motions of the brittle lithosphere on the other hand, have been developed separately. Coupling of these two independent classes of models has been accomplished only for neo-tectonic scenarios and with some limitations as to accounting for the impact of time-evolving mantle-flow and lithospheric slabs. Here we present results in this direction that permit simulating the coupled plates/mantle system through geological time. We build on previous work aimed at coupling two sophisticated codes for mantle flow and lithosphere dynamics: TERRA and SHELLS. TERRA is a global spherical finite-element code for mantle convection. It has been developed by Baumgardner (1985) and Bunge et al. (1996), and further advanced by Yang (1997; 2000) and Davies et al. (2013), among others. SHELLS is a thin-sheet finite-element code for lithosphere dynamics, developed by

  10. Detection by coupled LC-photodiode array detection and high-resolution Orbitrap MS of dimethyl and diethyl yellow dyes used illegally in processed soymilk curd.

    PubMed

    Fang, Mingchih; Tsai, Chia-Fen; Kuo, Ching-Hao; Cheng, Hwei-Fang

    2015-01-01

    An efficient non-target dye-screening system consisting of a liquid chromatography photodiode array coupled with a high-resolution mass spectrometer (HRMS) is described. Visible absorption spectroscopy assisted in locating the peak of an unknown dye in HRMS chromatograms which allowed the accurate molecular weight of the unknown to be obtained. In a study of the adulteration of processed soymilk curd (tofu) with dimethyl yellow, an unexpected unknown dye was discovered. The compound was further purified by gel permeation chromatography and identified by HRMS and proton nuclear magnetic resonance (NMR) as diethyl yellow (solvent yellow 56). This is the first time that diethyl yellow has been reported in foods. The authentic diethyl yellow was then purchased and used as a quantitative standard. Tofu products and their ingredients associated with tofu processing were surveyed. Analysis showed the source of diethyl yellow could be traced to emulsifiers used as ingredient in tofu products. Surveillance work found the concentrations of diethyl yellow ranged from several μg kg(-1) (ppb) in the tofu products to up to hundreds of mg kg(-1) (ppm) in the emulsifiers. PMID:26076046

  11. Selenium transformation studies during broccoli (Brassica oleracea) growing process by liquid chromatography-inductively coupled plasma mass spectrometry (LC-ICP-MS).

    PubMed

    Pedrero, Zoyne; Elvira, Daniel; Cámara, Carmen; Madrid, Yolanda

    2007-07-23

    Selenium uptake and transformation was studied in Se-enriched Broccoli (Brassica olearacea). Plants were grown in hydroponic culture and exposed during 40 days to Na2SeO3 (1 mg L(-1)). After growing, the plants were harvested and their different parts (roots, stems and fruit) were analyzed by ICP-MS or LC-ICP-MS. Se-species were identified and quantified after enzymatic extraction by using both an anion exchange (PRP-X100), and a size exclusion/ion exchange (Shodex Asahipak) chromatographic columns. Selenium translocation and transformation Se species in plants was studied through the Se-speciation in root, stem and fruit. After 40 days of exposure, selenomethionine was the major species found in roots, however, Se-methylselenocysteine was the main species found in the fruit, suggesting Broccoli as a source of this important selenoamino acid in human diet. However, the degree of meal processing influences the stability of Se-aminoacids. Speciation studies in boiled Broccoli and in the extraction water were also carried out. This experiment revealed a noticeable degradation of Se-methylselenocysteine in the boiled Broccoli fruit. Proteins soluble in Tris-HCl were analyzed by two-dimensional chromatography coupled to ICP-MS. The results obtained contribute not only to a deeper understanding of Se accumulation mechanisms by plants but also to further functional food complements preparation and the effect of food processing on species stability.

  12. Piezoelectric and semiconducting coupled power generating process of a single ZnO belt/wire. A technology for harvesting electricity from the environment.

    PubMed

    Song, Jinhui; Zhou, Jun; Wang, Zhong Lin

    2006-08-01

    This paper presents the experimental observation of piezoelectric generation from a single ZnO wire/belt for illustrating a fundamental process of converting mechanical energy into electricity at nanoscale. By deflecting a wire/belt using a conductive atomic force microscope tip in contact mode, the energy is first created by the deflection force and stored by piezoelectric potential, and later converts into piezoelectric energy. The mechanism of the generator is a result of coupled semiconducting and piezoelectric properties of ZnO. A piezoelectric effect is required to create electric potential of ionic charges from elastic deformation; semiconducting property is necessary to separate and maintain the charges and then release the potential via the rectifying behavior of the Schottky barrier at the metal-ZnO interface, which serves as a switch in the entire process. The good conductivity of ZnO is rather unique because it makes the current flow possible. This paper demonstrates a principle for harvesting energy from the environment. The technology has the potential of converting mechanical movement energy (such as body movement, muscle stretching, blood pressure), vibration energy (such as acoustic/ultrasonic wave), and hydraulic energy (such as flow of body fluid, blood flow, contraction of blood vessels) into electric energy that may be sufficient for self-powering nanodevices and nanosystems in applications such as in situ, real-time, and implantable biosensing, biomedical monitoring, and biodetection. PMID:16895352

  13. Profiling and analysis of multiple compounds in rhubarb decoction after processing by wine steaming using UHPLC-Q-TOF-MS coupled with multiple statistical strategies.

    PubMed

    Zhu, Tingting; Liu, Xiao; Wang, Xiaoli; Cao, Gang; Qin, Kunming; Pei, Ke; Zhu, Hui; Cai, Hao; Niu, Minjie; Cai, Baochang

    2016-08-01

    Rhubarb is one of the most popular traditional Chinese medicines and has been used for thousands of years in many Asian countries. Prepared rhubarb is obtained by steaming raw rhubarb with glutinous rice wine until it turned black in appearance both inside and outside. After processing, the therapeutic effects of prepared rhubarb change a lot. To find out the exact compound changes of the chemical profile in a decoction of rhubarb after processing and to clarify the material basis of the changed therapeutic effects, an ultra-high performance liquid chromatography with quadrupole time-of-flight mass spectrometry method coupled with automated data analysis software and statistical strategy was developed. As a result, 63 peaks in raw rhubarb and 54 peaks in prepared rhubarb were detected, and a total of 45 chemical compounds were identified. The analysis data were subjected to a principle component analysis and a t-test. Based on the results, 16 peaks were found to be the main contributors to the significant difference (p < 0.05) between raw and prepared rhubarb. Compared with raw rhubarb, the content of 15 components in prepared rhubarb was lower, while only rhein (1,8-dihydroxy-3-carboxy anthraquinone) showed a higher intensity. PMID:27291339

  14. Profiling and analysis of multiple compounds in rhubarb decoction after processing by wine steaming using UHPLC-Q-TOF-MS coupled with multiple statistical strategies.

    PubMed

    Zhu, Tingting; Liu, Xiao; Wang, Xiaoli; Cao, Gang; Qin, Kunming; Pei, Ke; Zhu, Hui; Cai, Hao; Niu, Minjie; Cai, Baochang

    2016-08-01

    Rhubarb is one of the most popular traditional Chinese medicines and has been used for thousands of years in many Asian countries. Prepared rhubarb is obtained by steaming raw rhubarb with glutinous rice wine until it turned black in appearance both inside and outside. After processing, the therapeutic effects of prepared rhubarb change a lot. To find out the exact compound changes of the chemical profile in a decoction of rhubarb after processing and to clarify the material basis of the changed therapeutic effects, an ultra-high performance liquid chromatography with quadrupole time-of-flight mass spectrometry method coupled with automated data analysis software and statistical strategy was developed. As a result, 63 peaks in raw rhubarb and 54 peaks in prepared rhubarb were detected, and a total of 45 chemical compounds were identified. The analysis data were subjected to a principle component analysis and a t-test. Based on the results, 16 peaks were found to be the main contributors to the significant difference (p < 0.05) between raw and prepared rhubarb. Compared with raw rhubarb, the content of 15 components in prepared rhubarb was lower, while only rhein (1,8-dihydroxy-3-carboxy anthraquinone) showed a higher intensity.

  15. Absorption Spectroscopy, Emissive Properties, and Ultrafast Intersystem Crossing Processes in Transition Metal Complexes: TD-DFT and Spin-Orbit Coupling.

    PubMed

    Daniel, Chantal

    2016-01-01

    Absorption spectroscopy, emissive properties, and ultrafast intersystem crossing processes in transition metal complexes are discussed in the light of recent developments in time-dependent density functional theory (TD-DFT), spin-orbit coupling (SOC) effects, and non-adiabatic excited states dynamics. Methodological highlights focus on spin-orbit and vibronic couplings and on the recent strategies available for simulating ultra-fast intersystem crossings (ISC).The role of SOC in the absorption spectroscopy of third-row transition metal complexes is illustrated by two cases studies, namely Ir(III) phenyl pyridine and Re(I) carbonyl bipyridine complexes.The problem of luminescence decay in third-row transition metal complexes handled by TD-DFT linear and quadratic response theories including SOC is exemplified by three studies: (1) the phosphorescence of Ir(III) complexes from the lowest triplet state; (2) the emissive properties of square planar Pt(II) complexes with bidentate and terdentate ligands characterized by low-lying metal-to-ligand-charge-transfer (MLCT) and metal-centered (MC) states; and (3) the ultra-fast luminescence decay of Re(I) carbonyl bipyridine halides via low-lying singlet and triplet charge transfer states delocalized over the bipyridine and the halide ligands.Ultrafast ISC occurring in spin crossover [Fe (bpy)3]2+, in [Ru (bpy)3]2+, and [Re (Br)(CO)3(bpy] complexes are deciphered thanks to recent developments based on various approaches, namely non-radiative rate theory within the Condon approximation, non-adiabatic surface hopping molecular dynamics, and quantum wave packet dynamics propagation.

  16. Spatiotemporal variation of radon and carbon dioxide concentrations in an underground quarry: coupled processes of natural ventilation, barometric pumping and internal mixing.

    PubMed

    Perrier, Frédéric; Richon, Patrick

    2010-04-01

    Radon-222 and carbon dioxide concentrations have been measured during several years at several points in the atmosphere of an underground limestone quarry located at a depth of 18 m in Vincennes, near Paris, France. Both concentrations showed a seasonal cycle. Radon concentration varied from 1200 to 2000 Bq m(-3) in summer to about 800-1400 Bq m(-3) in winter, indicating winter ventilation rates varying from 0.6 to 2.5 x 10(-6) s(-1). Carbon dioxide concentration varied from 0.9 to 1.0% in summer, to about 0.1-0.3% in winter. Radon concentration can be corrected for natural ventilation using temperature measurements. The obtained model also accounts for the measured seasonal variation of carbon dioxide. After correction, radon concentrations still exhibit significant temporal variation, mostly associated with the variation of atmospheric pressure, with coupling coefficients varying from -7 to -26 Bq m(-3) hPa(-1). This variation can be accounted for using a barometric pumping model, coupled with natural ventilation in winter, and including internal mixing as well. After correction, radon concentrations exhibit residual temporal variation, poorly correlated between different points, with standard deviations varying from 3 to 6%. This study shows that temporal variation of radon concentrations in underground cavities can be understood to a satisfactory level of detail using non-linear and time-dependent modelling. It is important to understand the temporal variation of radon concentrations and the limitations in their modelling to monitor the properties of natural or artificial underground settings, and to be able to assess the existence of new processes, for example associated with the preparatory phases of volcanic eruptions or earthquakes.

  17. The problems of solar-terrestrial coupling and new processes introduced to the physics of the ionosphere from the physics of atomic collisions

    NASA Astrophysics Data System (ADS)

    Avakyan, Sergei

    2010-05-01

    Further progress in research of solar-terrestrial coupling requires better understanding of solar variability influence on the ionosphere. The most powerful manifestations of solar variability are solar flares and geomagnetic storms. During a flare EUV/X-ray irradiations are completely absorbed in the ionosphere producing SID. During geomagnetic storms precipitations of electrons with energy of several keV (and to a lesser extent protons precipitations) from radiation belts and geomagnetosphere produce additional ionization and low latitude auroras. Considering the physics of ionosphere during the last several decades we have been taking into account three novel processes well known in the physics of atomic collisions. These are Auger effect [S. V. Avakyan, The consideration of Auger processes in the upper atmosphere of Earth. In Abstracts of paper presented at the Tenth scien. and techn. Conf. of young specialists of S.I. Vavilov State Optical Institute, 1974, 29-31.], multiple photoionization of upper, valence shell [S.V. Avakyan, The source of O++ ions in the upper atmosphere, 1979, Cosmic Res, 17, 942 - 943] and Rydberg excitation of all the components of upper atmosphere [S.V. Avakyan, The new factor in the physics of solar - terrestrial relations - Rydberg atomic and molecules states. Conf. on Physics of solar-terrestrial relationships, 1994, Almaty, 3 - 5]. In the present paper the results of bringing these new processes in the ionospheric physics are discussed and also its possible role in the physics of solar-terrestrial coupling is considered. Involving these processes to the model estimations allowed us for the first time to come to the following important conclusions: - Auger electrons play the determinant role at the formation of energy spectrum of photoelectrons and secondary auroral electrons at the range above 150 eV; - double photoionization of the outer shell of the oxygen atom (by a single photon) plays a dominant role in the formation of

  18. Helix coupling

    DOEpatents

    Ginell, W.S.

    1989-04-25

    A coupling for connecting helix members in series, which consists of a pair of U-shaped elements, one of which is attached to each helix end with the "U" sections of the elements interlocked. The coupling is particularly beneficial for interconnecting helical Nitinol elements utilized in thermal actuators or engines. Each coupling half is attached to the associated helix at two points, thereby providing axial load while being easily removed from the helix, and reusable.

  19. Helix coupling

    DOEpatents

    Ginell, W.S.

    1982-03-17

    A coupling for connecting helix members in series, which consists of a pair of U-shaped elements, one of which is attached to each helix end with the U sections of the elements interlocked. The coupling is particularly beneficial for interconnecting helical Nitinol elements utilized in thermal actuators or engines. Each coupling half is attached to the associated helix at two points, thereby providing axial load while being easily removed from the helix, and reusable.

  20. Opportunities for Process-Based Management of Rivers Below Water Diversions: Exploring and Exploiting Coupled Alteration of Flow and Sediment Regimes

    NASA Astrophysics Data System (ADS)

    Kibler, K. M.; Alipour, M.

    2015-12-01

    In mountainous, rural catchments throughout the world, small to medium-sized rivers are being developed for diversion hydropower. Previous study indicates that in the absence of careful management, consequences to rivers downstream of diversion hydropower dams can be severe. However, patterns of hydrologic alteration below diversion hydropower dams have not been well described. In addition, diversion hydropower projects typically require some form of sediment management to maintain relatively small impoundments at diversion sites. Investigation of principal coupled processes, notably flow and sediment dynamics, in the context of alteration by diversion schemes may elucidate potential for working with natural processes to mitigate consequences to rivers. This analysis characterizes hydrologic alteration by diversion hydropower dams, investigating flows below 31 diversion dams. Diversion for hydropower production generated distinctive signatures of hydrologic alteration in sample rivers. For instance, flow signals were characterized by reduced low to moderate flows and steep transitions between low and high stages. In a number of rivers, small floods were reduced in number and size. However, effect to magnitude and timing of large floods was minimal across all rivers investigated. Sediments were stored in impoundments and released in pulses annually through lower sediment gates. The hydrologic signatures observed were strongly linked to diversion designs and may be transferable to other rivers developed with similar infrastructure. Understanding characteristic flow alterations due to diversion hydropower, in combination with cycles of sediment storage and release, may inform management practices for simultaneously maintaining reservoirs and downstream channels. In particular, investigating altered flood magnitudes and frequencies in the context of geomorphic work may indicate potential for maintaining natural hydrogeomorphic processes. Detailed study of sediment

  1. On the connection between continental-scale land surface processes and the tropical climate in a coupled ocean-atmosphere-land system

    NASA Astrophysics Data System (ADS)

    Ma, H.; Mechoso, C. R.; Xue, Y.; Xiao, H.; Neelin, J.; Ji, X.

    2013-12-01

    An evaluation is presented of the impact on tropical climate of continental-scale perturbations given by different representations of land surface processes (LSP) in a general circulation model that includes atmosphere-ocean interactions. One representation is a simple land scheme, which specifies climatological albedos and soil moisture availability. The other representation is the more comprehensive Simplified Simple Biosphere Model, which allows for interactive soil moisture and vegetation biophysical processes. The results demonstrate that such perturbations have strong impacts on the seasonal mean states and seasonal cycles of global precipitation, clouds, and surface air temperature. The impact is especially significant over the tropical Pacific Ocean. To explore the mechanisms for such impact, model experiments are performed with different LSP representations confined to selected continental-scale regions where strong interactions of climate-vegetation biophysical processes are present. The largest impact found over the tropical Pacific is mainly from perturbations in the tropical African continent where convective heating anomalies associated with perturbed surface heat fluxes trigger global teleconnections through equatorial wave dynamics. In the equatorial Pacific, the remote impacts of the convection anomalies are further enhanced by strong air-sea coupling between surface wind stress and upwelling, as well as by the effects of ocean memory. LSP perturbations over South America and Asia-Australia have much weaker global impacts. The results further suggest that correct representations of LSP, land use change, and associated changes in the deep convection over tropical Africa are crucial to reducing the uncertainty of future climate projections with global climate models under various climate change scenarios. This work is performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA

  2. Improved Large-Scale Inundation Modelling by 1D-2D Coupling and Consideration of Hydrologic and Hydrodynamic Processes - a Case Study in the Amazon

    NASA Astrophysics Data System (ADS)

    Hoch, J. M.; Bierkens, M. F.; Van Beek, R.; Winsemius, H.; Haag, A.

    2015-12-01

    Understanding the dynamics of fluvial floods is paramount to accurate flood hazard and risk modeling. Currently, economic losses due to flooding constitute about one third of all damage resulting from natural hazards. Given future projections of climate change, the anticipated increase in the World's population and the associated implications, sound knowledge of flood hazard and related risk is crucial. Fluvial floods are cross-border phenomena that need to be addressed accordingly. Yet, only few studies model floods at the large-scale which is preferable to tiling the output of small-scale models. Most models cannot realistically model flood wave propagation due to a lack of either detailed channel and floodplain geometry or the absence of hydrologic processes. This study aims to develop a large-scale modeling tool that accounts for both hydrologic and hydrodynamic processes, to find and understand possible sources of errors and improvements and to assess how the added hydrodynamics affect flood wave propagation. Flood wave propagation is simulated by DELFT3D-FM (FM), a hydrodynamic model using a flexible mesh to schematize the study area. It is coupled to PCR-GLOBWB (PCR), a macro-scale hydrological model, that has its own simpler 1D routing scheme (DynRout) which has already been used for global inundation modeling and flood risk assessments (GLOFRIS; Winsemius et al., 2013). A number of model set-ups are compared and benchmarked for the simulation period 1986-1996: (0) PCR with DynRout; (1) using a FM 2D flexible mesh forced with PCR output and (2) as in (1) but discriminating between 1D channels and 2D floodplains, and, for comparison, (3) and (4) the same set-ups as (1) and (2) but forced with observed GRDC discharge values. Outputs are subsequently validated against observed GRDC data at Óbidos and flood extent maps from the Dartmouth Flood Observatory. The present research constitutes a first step into a globally applicable approach to fully couple

  3. Detection of radiation-induced hydrocarbons in Camembert irradiated before and after the maturing process-comparison of florisil column chromatography and on-line coupled liquid chromatography-gas chromatography

    SciTech Connect

    Schulzki, G.; Spiegelberg, A.; Schreiber, G.A.

    1995-02-01

    The influence of the maturing process on the detection of radiation-induced volatile hydrocarbons in the fat of Camembert has been investigated. Two analytical methods for separation of the hydrocarbon fraction from the lipid were applied: Florisil column chromatography with subsequent gas chromatographic-mass spectrometric (GC-MS) determination as well as on-line coupled liquid chromatography-GC-MS. The maturing process had no influence on the detection of radiation-induced volatiles. Comparable results were achieved with both analytical methods. However, preference is given to the more effective on-line coupled LC-GC method. 17 refs., 5 figs., 2 tabs.

  4. Light-bias coupling erase process for non-volatile zinc tin oxide TFT memory with a nickel nanocrystals charge trap layer

    NASA Astrophysics Data System (ADS)

    Li, Jeng-Ting; Liu, Li-Chih; Ke, Po-Hsien; Chen, Jen-Sue; Jeng, Jiann-Shing

    2016-03-01

    A nonvolatile charge trapping memory is demonstrated on a thin film transistor (TFT) using a solution processed ultra-thin (~7 nm) zinc tin oxide (ZTO) semiconductor layer with an Al2O3/Ni-nanocrystals (NCs)/SiO2 dielectric stack. A positive threshold voltage (V TH) shift of 7 V is achieved at gate programming voltage of 40 V for 1 s but the state will not be erased by applying negative gate voltage. However, the programmed V TH shift can be expediently erased by applying a gate voltage of  -10 V in conjunction with visible light illumination for 1 s. It is found that the sub-threshold swing (SS) deteriorates slightly under light illumination, indicating that photo-ionized oxygen vacancies (V\\text{o}+ and/or V\\text{o}++ ) are trapped at the interface between Al2O3 and ZTO, which assists the capture of electrons discharged from the Ni NCs charge trapping layer. The light-bias coupling action and the role of ultra-thin ZTO thickness are discussed to elucidate the efficient erasing mechanism.

  5. Mutations in UVSSA cause UV-sensitive syndrome and impair RNA polymerase IIo processing in transcription-coupled nucleotide-excision repair.

    PubMed

    Nakazawa, Yuka; Sasaki, Kensaku; Mitsutake, Norisato; Matsuse, Michiko; Shimada, Mayuko; Nardo, Tiziana; Takahashi, Yoshito; Ohyama, Kaname; Ito, Kosei; Mishima, Hiroyuki; Nomura, Masayo; Kinoshita, Akira; Ono, Shinji; Takenaka, Katsuya; Masuyama, Ritsuko; Kudo, Takashi; Slor, Hanoch; Utani, Atsushi; Tateishi, Satoshi; Yamashita, Shunichi; Stefanini, Miria; Lehmann, Alan R; Yoshiura, Koh-ichiro; Ogi, Tomoo

    2012-05-01

    UV-sensitive syndrome (UV(S)S) is a genodermatosis characterized by cutaneous photosensitivity without skin carcinoma. Despite mild clinical features, cells from individuals with UV(S)S, like Cockayne syndrome cells, are very UV sensitive and are deficient in transcription-coupled nucleotide-excision repair (TC-NER), which removes DNA damage in actively transcribed genes. Three of the seven known UV(S)S cases carry mutations in the Cockayne syndrome genes ERCC8 or ERCC6 (also known as CSA and CSB, respectively). The remaining four individuals with UVSS , one of whom is described for the first time here, formed a separate UV(S)S-A complementation group; however, the responsible gene was unknown. Using exome sequencing, we determine that mutations in the UVSSA gene (formerly known as KIAA1530) cause UV(S)S-A. The UVSSA protein interacts with TC-NER machinery and stabilizes the ERCC6 complex; it also facilitates ubiquitination of RNA polymerase IIo stalled at DNA damage sites. Our findings provide mechanistic insights into the processing of stalled RNA polymerase and explain the different clinical features across these TC-NER–deficient disorders. PMID:22466610

  6. Strong coupling of centennial-scale changes of Asian monsoon and soil processes derived from stalagmite δ18O and δ13C records, southern China

    NASA Astrophysics Data System (ADS)

    Liu, Dianbing; Wang, Yongjin; Cheng, Hai; Edwards, R. Lawrence; Kong, Xinggong; Li, Ting-Yong

    2016-05-01

    The paleoclimate application of speleothem δ13C is influenced by site-specific processes. Here we present four stalagmite δ13C records from two caves in southern China, covering early and late Marine Isotope Stage (MIS) 3 and the Holocene, to investigate the spatio-temporal pattern of calcite δ13C changes and the relationship with Asian monsoon (AM) variability. In each growth period, precessional- to millennial-scale changes are clear in the δ18O record. In contrast, millennial variability is absent in the δ13C record, which characterizes persistent centennial oscillations. However, centennial-scale δ18O variations agree well with those of δ13C, with a larger amplitude in δ13C changes (about twice that of δ18O). This suggests that soil humidity balance associated with regional hydrological circulations is important for these centennial δ13C changes, although evaporation-related kinetic fractionation can induce concurrent enrichments in δ18O and δ13C. In frequency, the detrended δ18O and δ13C records are coupled at a periodicity of about 300 yr during the last glacial period and 150 yr during the Holocene. Those centennial-scale δ13C variations are generally consistent with Greenland temperature variability, indicating a climate response over broad regions. Thus, strong co-variation of δ18O and δ13C records should have a climatic origin, even if it is amplified by kinetic effects.

  7. [Main Cellular Redox Couples].

    PubMed

    Bilan, D S; Shokhina, A G; Lukyanov, S A; Belousov, V V

    2015-01-01

    Most of the living cells maintain the continuous flow of electrons, which provides them by energy. Many of the compounds are presented in a cell at the same time in the oxidized and reduced states, forming the active redox couples. Some of the redox couples, such as NAD+/NADH, NADP+/NADPH, oxidized/reduced glutathione (GSSG/GSH), are universal, as they participate in adjusting of many cellular reactions. Ratios of the oxidized and reduced forms of these compounds are important cellular redox parameters. Modern research approaches allow setting the new functions of the main redox couples in the complex organization of cellular processes. The following information is about the main cellular redox couples and their participation in various biological processes.

  8. First pass intestinal and liver metabolism of paracetamol in a microfluidic platform coupled with a mathematical modeling as a means of evaluating ADME processes in humans.

    PubMed

    Prot, Jean Matthieu; Maciel, Luis; Bricks, Thibault; Merlier, Franck; Cotton, Jérôme; Paullier, Patrick; Bois, Fréderic Yves; Leclerc, Eric

    2014-10-01

    We developed a microfluidic platform to investigate paracetamol intestinal and liver first pass metabolism. This approach was coupled with a mathematical model to estimate intrinsic in vitro parameters and to predict in vivo processes. The kinetic modeling estimated the paracetamol and paracetamol sulfate permeabilities, the sulfate and glucuronide effluxes in the intestine compartment. Based on a gut model, we estimated intrinsic intestinal clearance of between 26 and 77 L/h for paracetamol in humans, a permeability of 10 L/h, and a gut availability between 0.17 and 0.53 (compared to 0.95-1 in vivo). The role played by the liver in paracetamol metabolism was estimated via in vitro intrinsic clearances of 7.6, 13.6, and 11.5 µL/min/10(6) cells for HepG2/C3a, rat primary hepatocytes, and human primary hepatocytes, respectively. Based on a parallel tube model to describe the liver, the paracetamol hepatic clearance, and the paracetamol hepatic availability in humans were estimated at 6.5 mL/min/kg of bodyweight (BDW) and 0.7, respectively (when compared to 5 mL/min/kg of BDW and 0.77 to 0.88 for in vivo values, respectively). The drug availability was predicted ranging between 0.24 and 0.41 (0.88 in vivo). The overall approach provided a first step in an integrated strategy combining in silico/in vitro methods based on microfluidic for evaluating drug absorption, distribution and metabolism processes.

  9. Onset and demise of Cretaceous oceanic anoxic events: The coupling of surface and bottom oceanic processes in two pelagic basins of the western Tethys

    NASA Astrophysics Data System (ADS)

    Gambacorta, G.; Bersezio, R.; Weissert, H.; Erba, E.

    2016-06-01

    The upper Albian-lower Turonian pelagic successions of the Tethys record processes acting during the onset, core, and recovery from perturbed conditions across oceanic anoxic event (OAE) 1d, OAE 2, and the mid-Cenomanian event I (MCE I) relative to intervening intervals. Five sections from Umbria-Marche and Belluno Basins (Italy) were analyzed at high resolution to assess processes in surface and deep waters. Recurrent facies stacking patterns (SP) and their associations record periods of bottom current activity coupled with surface changes in trophic level. Climate changes appear to have been influential on deep circulation dynamics. Under greenhouse conditions, vigorous bottom currents were arguably induced by warm and dense saline deep waters originated on tropical shelves in the Tethys and/or proto-Atlantic Ocean. Tractive facies postdating intermittent anoxia during OAE 1d and in the interval bracketed by MCE I and OAE 2 are indicative of feeble bottom currents, though capable of disrupting stratification and replenish deep water with oxygen. The major warming at the onset of OAE 2 might have enhanced the formation of warm salty waters, possibly producing local hiatuses at the base of the Bonarelli Level and winnowing at the seafloor. Hiatuses detected at the top of the Bonarelli Level possibly resulted from most effective bottom currents during the early Turonian thermal maximum. Times of minimal sediment displacement correlate with cooler climatic conditions and testify a different mechanism of deep water formation, as further suggested by a color change to reddish lithologies of the post-OAE 1d and post-OAE 2 intervals.

  10. Studies on deformation/pore pressure coupling processes at Japanese URLs and the development of ultra-high resolution FBG strain sensors for rock mechanics (Invited)

    NASA Astrophysics Data System (ADS)

    Tokunaga, T.; Matsui, H.; Zuyuan, H.; Kashiwai, Y.

    2009-12-01

    with the opposite side of the fault. The transient increase of pore pressure by pumping activity is intuitively thought to be opposite in the polarity of change, however, it is interpreted to be related to the coupling process between deformation of rock masses and the change of pore pressure. Our numerical simulation supports our interpretation based on the deformation/pore pressure coupling process. This result strongly suggests that spatially high-density, high-resolution strain measurements together with pore pressure measurements in the subsurface can provide us quite exciting information on the behavior of rock mass deformation and fluid flow processes in the subsurface environments. For this purpose, we have started our new project on the development of multiplexed, high-accuracy, Fiber Bragg Grating (FBG) strain sensors for geo-engineering application. The target specifications are 10 nanostrain in strain resolution, 10 to 100 m in total length, 0.1 to 1 m in spatial resolution, and 10 to 100 in measurement points. We expect to finish this development in JFY 2011 and are hoping to deploy our sensors to both Mizunami in Japan and Homestake in US very near future.

  11. Nonadiabatic Coupling

    NASA Astrophysics Data System (ADS)

    Kryachko, Eugene S.

    The general features of the nonadiabatic coupling and its relation to molecular properties are surveyed. Some consequences of the [`]equation of motion', formally expressing a [`]smoothness' of a given molecular property within the diabatic basis, are demonstrated. A particular emphasis is made on the relation between a [`]smoothness' of the electronic dipole moment and the generalized Mulliken-Hush formula for the diabatic electronic coupling.

  12. A Conceptual Model of Coupled Biogeochemical and Hydrogeological Processes Affected by In Situ Cr(VI) Bioreduction in Groundwater at Hanford 100H Site

    NASA Astrophysics Data System (ADS)

    Faybishenko, B.; Long, P. E.; Hazen, T. C.; Hubbard, S. S.; Williams, K. H.; Peterson, J. E.; Chen, J.; Volkova, E. V.; Newcomer, D. R.; Resch, C. T.; Cantrell, K.; Conrad, M. S.; Brodie, E. L.; Joyner, D. C.; Borglin, S. E.; Chakraborty, R. C.

    2007-05-01

    The overall objective of this presentation is to demonstrate a conceptual multiscale, multidomain model of coupling of biogeochemical and hydrogeological processes during bioremediation of Cr(VI) contaminated groundwater at Hanford 100H site. A slow release polylactate, Hydrogen Release Compound (HRCTM), was injected in Hanford sediments to stimulate immobilization of Cr(VI). The HRC injection induced a 2-order-of- magnitude increase in biomass and the onset of reducing biogeochemical conditions [e.g., redox potential decreased from +240 to -130 mV and dissolved oxygen (DO) was completely removed]. A three-well system, comprised of an injection well and upgradient and downgradient monitoring wells, was used for conducting the in situ biostimulation, one regional flow (no-pumping) tracer test, and five pumping tests along with the Br-tracer injection. Field measurements were conducted using a Br ion-selective electrode and a multiparameter flow cell to collect hourly data on temperature, pH, redox potential, electrical conductivity, and DO. Groundwater sampling was conducted by pumping through specially designed borehole water samplers. Cross-borehole radar tomography and seismic measurements were carried out to assess the site background lithological heterogeneity and the migration pathways of HRC byproducts through groundwater after the HRC injection. Several alternative approaches, including conventional and fractional advective dispersion equations and geostatistical analysis, were used to characterize hydraulic and biogeochemical transport parameters. The results of a joint inversion of cross-borehole geophysical tomography and flow-rate measurements in boreholes indicate the presence of a bimodal distribution of hydraulic conductivity for Hanford sediments. The Br- concentration double-peak BTCs curves indicate that HRC injection caused an increase in the tracer travel time (mainly in the low-permeability zone) over the period of observations of about 2 years

  13. Experimental scale and dimensionality requirements for reproducing and studying coupled land-atmosphere-vegetative processes in the intermediate scale laboratory settings

    NASA Astrophysics Data System (ADS)

    Trautz, Andrew; Illangasekare, Tissa; Rodriguez-Iturbe, Ignacio; Helmig, Rainer; Heck, Katharina

    2016-04-01

    Past investigations of coupled land-atmosphere-vegetative processes have been constrained to two extremes, small laboratory bench-scale and field scale testing. In recognition of the limitations of studying the scale-dependency of these fundamental processes at either extreme, researchers have recently begun to promote the use of experimentation at intermediary scales between the bench and field scales. A requirement for employing intermediate scale testing to refine heat and mass transport theory regarding land-atmosphere-vegetative processes is high spatial-temporal resolution datasets generated under carefully controlled experimental conditions in which both small and field scale phenomena can be observed. Field experimentation often fails these criteria as a result of sensor network limitations as well as the natural complexities and uncertainties introduced by heterogeneity and constantly changing atmospheric conditions. Laboratory experimentation, which is used to study three-dimensional (3-D) processes, is often conducted in 2-D test systems as a result of space, instrumentation, and cost constraints. In most flow and transport problems, 2-D testing is not considered a serious limitation because the bypassing of flow and transport due to geo-biochemical heterogeneities can still be studied. Constraining the study of atmosphere-soil-vegetation interactions to 2-D systems introduces a new challenge given that the soil moisture dynamics associated with these interactions occurs in three dimensions. This is an important issue that needs to be addressed as evermore intricate and specialized experimental apparatuses like the climate-controlled wind tunnel-porous media test system at CESEP are being constructed and used for these types of studies. The purpose of this study is to therefore investigate the effects of laboratory experimental dimensionality on observed soil moisture dynamics in the context of bare-soil evaporation and evapotranspiration

  14. FLEXIBLE COUPLING

    DOEpatents

    Babelay, E.F.

    1962-02-13

    A flexible shaft coupling for operation at speeds in excess of 14,000 rpm is designed which requires no lubrication. A driving sleeve member and a driven sleeve member are placed in concentric spaced relationship. A torque force is transmitted to the driven member from the driving member through a plurality of nylon balls symmetrically disposed between the spaced sleeves. The balls extend into races and recesses within the respective sleeve members. The sleeve members have a suitable clearance therebetween and the balls have a suitable radial clearance during operation of the coupling to provide a relatively loose coupling. These clearances accommodate for both parallel and/or angular misalignments and avoid metal-tometal contact between the sleeve members during operation. Thus, no lubrication is needed, and a minimum of vibrations is transmitted between the sleeve members. (AEC)

  15. Prosthesis coupling

    NASA Technical Reports Server (NTRS)

    Reswick, J. B.; Mooney, V.; Bright, C. W.; Owens, L. J. (Inventor)

    1979-01-01

    A coupling for use in an apparatus for connecting a prosthesis to the bone of a stump of an amputated limb is described which permits a bio-compatible carbon sleeve forming a part of the prosthesis connector to float so as to prevent disturbing the skin seal around the carbon sleeve. The coupling includes a flexible member interposed between a socket that is inserted within an intermedullary cavity of the bone and the sleeve. A lock pin is carried by the prosthesis and has a stem portion which is adapted to be coaxially disposed and slideably within the tubular female socket for securing the prosthesis to the stump. The skin around the percutaneous carbon sleeve is able to move as a result of the flexing coupling so as to reduce stresses caused by changes in the stump shape and/or movement between the bone and the flesh portion of the stump.

  16. Coupling of ultrasound-assisted extraction and expanded bed adsorption for simplified medicinal plant processing and its theoretical model: extraction and enrichment of ginsenosides from Radix Ginseng as a case study.

    PubMed

    Mi, Jianing; Zhang, Min; Zhang, Hongyang; Wang, Yuerong; Wu, Shikun; Hu, Ping

    2013-02-01

    A high-efficient and environmental-friendly method for the preparation of ginsenosides from Radix Ginseng using the method of coupling of ultrasound-assisted extraction with expanded bed adsorption is described. Based on the optimal extraction conditions screened by surface response methodology, ginsenosides were extracted and adsorbed, then eluted by the two-step elution protocol. The comparison results between the coupling of ultrasound-assisted extraction with expanded bed adsorption method and conventional method showed that th