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James, Scott Carlton

Publications and source records attributed to James, Scott Carlton.

13 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Sandia National Laboratories Environmental Fluid Dynamics Code: Marine Hydrokinetic Module User’s Manual

This document describes the marine hydrokinetic (MHK) input file and subroutines for the Sandia National Laboratories Environmental Fluid Dynamics Code (SNL-EFDC), which is a combined hydrodynamic, sediment transport, and water quality model based on the Environmental Fluid Dynamics Code (EFDC) developed by John Hamrick, formerly sponsored by the U.S. Environmental Protection Agency, and now maintained by Tetra Tech, Inc. SNL-EFDC has been previously enhanced with the incorporation of the SEDZLJ sediment dynamics model developed by Ziegler, Lick, and Jones. SNL-EFDC has also been upgraded to more accurately simulate algae growth with specific application to optimizing biomass in an open-channel raceway for biofuels production. A detailed description of the input file containing data describing the MHK device/array is provided, along with a description of the MHK FORTRAN routine. Both a theoretical description of the MHK dynamics as incorporated into SNL-EFDC and an explanation of the source code are provided. This user manual is meant to be used in conjunction with the original EFDC and sediment dynamics SNL-EFDC manuals. Through this document, the authors provide information for users who wish to model the effects of an MHK device (or array of devices) on a flow system with EFDC and who also seek a clear understanding of the source code, which is available from staff in the Water Power Technologies Department at Sandia National Laboratories, Albuquerque, New Mexico.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

From benchtop to raceway: spectroscopic signatures of dynamic biological processes in algal communities

Major scientific challenges hinder the success of an industrial-scale algal biofuels program. Four broad areas of R&D needs have been identified for economically viable, industrial-scale cultivation of algae: culture sustainability; system productivity; nutrient source scaling and sustainability; and water conservation, management, and recycling. Progress in each of these areas is limited by significant knowledge gaps in fundamental algal biology. This SAND report summarizes research conducted as part of an LDRD project (FY10- FY12) to address this shortcoming. We have developed a novel, multidisciplinary, multiscale approach utilizing Sandia’s core expertise in bioanalytical spectroscopy, chemical imaging, remote sensing, genomics, and computational modeling in collaboration with researchers at University of New Mexico and Arizona State University to investigate the effects that dynamic abiotic and biotic stressors have on algal photosynthesis, growth, and lipid production. The discoveries will enable gains in productivity and sustainability that are critical for cost-effective, industrial-scale algal facilities.

Timlin, Jerilyn Ann↗
DOE OSTI2012

Sandia National Laboratories environmental fluid dynamics code: pH effects user manual

This document describes the implementation level changes in the source code and input files of Sandia National Laboratories Environmental Fluid Dynamics Code (SNL-EFDC) that are necessary for including pH effects into algae-growth dynamics. The document also gives a brief introduction to how pH effects are modeled into the algae-growth model. The document assumes that the reader is aware of the existing algae-growth model in SNL-EFDC. The existing model is described by James, Jarardhanam and more theoretical considerations behind modeling pH effects are presented therein. This document should be used in conjunction with the original EFDC manual and the original water-quality manual.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2011

Rapid hydrogen gas generation using reactive thermal decomposition of uranium hydride.

Oxygen gas injection has been studied as one method for rapidly generating hydrogen gas from a uranium hydride storage system. Small scale reactors, 2.9 g UH{sub 3}, were used to study the process experimentally. Complimentary numerical simulations were used to better characterize and understand the strongly coupled chemical and thermal transport processes controlling hydrogen gas liberation. The results indicate that UH{sub 3} and O{sub 2} are sufficiently reactive to enable a well designed system to release gram quantities of hydrogen in {approx} 2 seconds over a broad temperature range. The major system-design challenge appears to be heat management. In addition to the oxidation tests, H/D isotope exchange experiments were performed. The rate limiting step in the overall gas-to-particle exchange process was found to be hydrogen diffusion in the {approx}0.5 {mu}m hydride particles. The experiments generated a set of high quality experimental data; from which effective intra-particle diffusion coefficients can be inferred.

08 HYDROGEN↗
DOE OSTI2011

Isotope exchange kinetics in metal hydrides I : TPLUG model.

A one-dimensional isobaric reactor model is used to simulate hydrogen isotope exchange processes taking place during flow through a powdered palladium bed. This simple model is designed to serve primarily as a platform for the initial development of detailed chemical mechanisms that can then be refined with the aid of more complex reactor descriptions. The one-dimensional model is based on the Sandia in-house code TPLUG, which solves a transient set of governing equations including an overall mass balance for the gas phase, material balances for all of the gas-phase and surface species, and an ideal gas equation of state. An energy equation can also be solved if thermodynamic properties for all of the species involved are known. The code is coupled with the Chemkin package to facilitate the incorporation of arbitrary multistep reaction mechanisms into the simulations. This capability is used here to test and optimize a basic mechanism describing the surface chemistry at or near the interface between the gas phase and a palladium particle. The mechanism includes reversible dissociative adsorptions of the three gas-phase species on the particle surface as well as atomic migrations between the surface and the bulk. The migration steps are more general than those used previously in that they do not require simultaneous movement of two atoms in opposite directions; this makes possible the creation and destruction of bulk vacancies and thus allows the model to account for variations in the bulk stoichiometry with isotopic composition. The optimization code APPSPACK is used to adjust the mass-action rate constants so as to achieve the best possible fit to a given set of experimental data, subject to a set of rigorous thermodynamic constraints. When data for nearly isothermal and isobaric deuterium-to-hydrogen (D {yields} H) and hydrogen-to-deuterium (H {yields} D) exchanges are fitted simultaneously, results for the former are excellent, while those for the latter show pronounced deviations at long times. These discrepancies can be overcome by postulating the presence of a surface poison such as carbon monoxide, but this explanation is highly speculative. When the method is applied to D {yields} H exchanges intentionally poisoned by known amounts of CO, the fitting results are noticeably degraded from those for the nominally CO-free system but are still tolerable. When TPLUG is used to simulate a blowdown-type experiment, which is characterized by large and rapid changes in both pressure and temperature, discrepancies are even more apparent. Thus, it can be concluded that the best use of TPLUG is not in simulating realistic exchange scenarios, but in extracting preliminary estimates for the kinetic parameters from experiments in which variations in temperature and pressure are intentionally minimized.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2011

Diffusional exchange of isotopes in a metal hydride sphere.

This report describes the Spherical Particle Exchange Model (SPEM), which simulates exchange of one hydrogen isotope by another hydrogen isotope in a spherical metal hydride particle. This is one of the fundamental physical processes during isotope exchange in a bed of spherical metal particles and is thus one of the key components in any comprehensive physics-based model of exchange. There are two important physical processes in the model. One is the entropy of mixing between the two isotopes; the entropy of mixing is increased by having both isotopes randomly placed at interstitial sites on the lattice and thus impedes the exchange process. The other physical process is the elastic interaction between isotope atoms on the lattice. The elastic interaction is the cause for {beta}-phase formation and is independent of the isotope species. In this report the coupled diffusion equations for two isotopes in the {beta}-phase hydride are solved. A key concept is that the diffusion of one isotope depends not only on its concentration gradient, but also on the concentration gradient of the other isotope. Diffusion rate constants and the chemical potentials for deuterium and hydrogen in the {beta}-phase hydride are reviewed because these quantities are essential for an accurate model of the diffusion process. Finally, a summary of some of the predictions from the SPEM model are provided.

08 HYDROGEN↗
DOE OSTI2010

Modeling algae growth in an open-channel raceway.

Cost-effective implementation of microalgae as a solar-to-chemical energy conversion platform requires extensive system optimization; computer modeling can bring this to bear. This work uses modified versions of the U.S. Environmental Protection Agency's (EPA's) Environmental Fluid Dynamics Code (EFDC) in conjunction with the U.S. Army Corp of Engineers water-quality code (CE-QUAL) to simulate hydrodynamics coupled to growth kinetics of algae (Phaeodactylum tricornutum) in open-channel raceways. The model allows the flexibility to manipulate a host of variables associated with raceway-design, algal-growth, water-quality, hydrodynamic, and atmospheric conditions. The model provides realistic results wherein growth rates follow the diurnal fluctuation of solar irradiation and temperature. The greatest benefit that numerical simulation of the flow system offers is the ability to design the raceway before construction, saving considerable cost and time. Moreover, experiment operators can evaluate the impacts of various changes to system conditions (e.g., depth, temperature, flow speeds) without risking the algal biomass under study.

09 BIOMASS FUELS↗
DOE OSTI2010

Simulating environmental changes due to marine hydrokinetic energy installations.

Marine hydrokinetic (MHK) projects will extract energy from ocean currents and tides, thereby altering water velocities and currents in the site's waterway. These hydrodynamics changes can potentially affect the ecosystem, both near the MHK installation and in surrounding (i.e., far field) regions. In both marine and freshwater environments, devices will remove energy (momentum) from the system, potentially altering water quality and sediment dynamics. In estuaries, tidal ranges and residence times could change (either increasing or decreasing depending on system flow properties and where the effects are being measured). Effects will be proportional to the number and size of structures installed, with large MHK projects having the greatest potential effects and requiring the most in-depth analyses. This work implements modification to an existing flow, sediment dynamics, and water-quality code (SNL-EFDC) to qualify, quantify, and visualize the influence of MHK-device momentum/energy extraction at a representative site. New algorithms simulate changes to system fluid dynamics due to removal of momentum and reflect commensurate changes in turbulent kinetic energy and its dissipation rate. A generic model is developed to demonstrate corresponding changes to erosion, sediment dynamics, and water quality. Also, bed-slope effects on sediment erosion and bedload velocity are incorporated to better understand scour potential.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2010

From benchtop to raceway : spectroscopic signatures of dynamic biological processes in algal communities.

The search is on for new renewable energy and algal-derived biofuel is a critical piece in the multi-faceted renewable energy puzzle. It has 30x more oil than any terrestrial oilseed crop, ideal composition for biodiesel, no competition with food crops, can be grown in waste water, and is cleaner than petroleum based fuels. This project discusses these three goals: (1) Conduct fundamental research into the effects that dynamic biotic and abiotic stressors have on algal growth and lipid production - Genomics/Transcriptomics, Bioanalytical spectroscopy/Chemical imaging; (2) Discover spectral signatures for algal health at the benchtop and greenhouse scale - Remote sensing, Bioanalytical spectroscopy; and (3) Develop computational model for algal growth and productivity at the raceway scale - Computational modeling.

02 PETROLEUM↗