Publications

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

A simplified model was developed and is presented in this report for simulating thermal transport coupled with chemical reactions that lead to the pyrotechnic ignition of TiH1.65/KClO4 powder. The model takes into account Joule heating via a bridgewire, thermal contact resistance at the wire/powder interface, convective heat loss to the surroundings, and heat released from the TiH1.65- and KClO4-decomposition and TiO2-oxidation reactions. Chemical kinetic sub-models were put forth to describe the chemical reaction rate(s) and quantify the resultant heat release. The simplified model predicts pyrotechnic ignition when heat from the pyrotechnic reactions is accounted for. Effects of six key parameters on ignition were examined. It was found that the two reaction-rate parameters and the thermal contact resistance significantly affect the dynamic ignition process whereas the convective heat transfer coefficient essentially has no effect on the ignition time. Effects of the initial/ambient temperature and electrical current load through the wire are as expected. Ignition time increases as the initial/ambient temperature is lowered or the wire current load is reduced. Lastly, critical needs such as experiments to determine reaction-rate and other model-input parameters and to measure temperature profiles, time to ignition and burn-rate data for model validation as well as efforts in incorporating reaction-rate dependency on pressure are pointed out.

Abstract not provided.

This document contains a summary of the work performed under the LDRD project entitled 'Interface Physics in Microporous Media'. The presence of fluid-fluid interfaces, which can carry non-zero stresses, distinguishes multiphase flows from more readily understood single-phase flows. In this work the physics active at these interfaces has been examined via a combined experimental and computational approach. One of the major difficulties of examining true microporous systems of the type found in filters, membranes, geologic media, etc. is the geometric uncertainty. To help facilitate the examination of transport at the pore-scale without this complication, a significant effort has been made in the area of fabrication of both two-dimensional and three-dimensional micromodels. Using these micromodels, multiphase flow experiments have been performed for liquid-liquid and liquid-gas systems. Laser scanning confocal microscopy has been utilized to provide high resolution, three-dimensional reconstructions as well as time resolved, two-dimensional reconstructions. Computational work has focused on extending lattice Boltzmann (LB) and finite element methods for probing the interface physics at the pore scale. A new LB technique has been developed that provides over 100x speed up for steady flows in complex geometries. A new LB model has been developed that allows for arbitrary density ratios, which has been a significant obstacle in applying LB to air-water flows. A new reduced order model has been developed and implemented in finite element code for examining non-equilibrium wetting in microchannel systems. These advances will enhance Sandia's ability to quantitatively probe the rich interfacial physics present in microporous systems.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

This report documents work done for a late-start LDRD project, which was carried out during the last quarter of FY07. The objective of this project was to experimentally explore the feasibility of converting vegetable (e.g., soybean) oils to biodiesel by employing slit-channel reactors and solid catalysts. We first designed and fabricated several slit-channel reactors with varying channel depths, and employed them to investigate the improved performance of slit-channel reactors over traditional batch reactors using a NaOH liquid catalyst. We then evaluated the effectiveness of several solid catalysts, including CaO, ZnO, MgO, ZrO{sub 2}, calcium gluconate, and heteropolyacid or HPA (Cs{sub 2.5}H{sub 0.5}PW{sub 12}O{sub 40}), for catalyzing the soybean oil-to-biodiesel transesterification reaction. We found that the slit-channel reactor performance improves as channel depth decreases, as expected; and the conversion efficiency of a slit-channel reactor is significantly higher when its channel is very shallow. We further confirmed CaO as having the highest catalytic activity among the solid catalysts tested, and we demonstrated for the first time calcium gluconate as a promising solid catalyst for converting soybean oil to biodiesel, based on our preliminary batch-mode conversion experiments.

An analytical model is presented for predicting the critical air-flow velocity at the onset of water-droplet detachment from the GDL/channel interfaces in PEM fuel cells. Our model is based on the force balance between pressure drag that tends to detach the droplet and surface tension that tends to hold the droplet in place. In the present work, we consider the flow regime in which pressure drag, which arises from inertia effects, dominates over viscous shear - this is the flow regime of interest in real-world PEM fuel cell applications, both automotive and stationary. Our analytical model predicts that the critical air-flow velocity varies inversely (to the 2/3 power) with water-droplet size. It further predicts that making the GDL surface more hydrophobic, decreasing contact-angle hysteresis, and shrinking channel height reduce the critical air-flow velocity. Model predictions are compared with experimental data available from the literature and reasonably good agreement is obtained. © The Electrochemical Society.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

In this report, we document the accomplishments in our Laboratory Directed Research and Development project in which we employed a technical approach of combining experiments with computational modeling and analyses to elucidate the performance of hydrogen-fed proton exchange membrane fuel cells (PEMFCs). In the first part of this report, we document our focused efforts on understanding water transport in and removal from a hydrogen-fed PEMFC. Using a transparent cell, we directly visualized the evolution and growth of liquid-water droplets at the gas diffusion layer (GDL)/gas flow channel (GFC) interface. We further carried out a detailed experimental study to observe, via direct visualization, the formation, growth, and instability of water droplets at the GDL/GFC interface using a specially-designed apparatus, which simulates the cathode operation of a PEMFC. We developed a simplified model, based on our experimental observation and data, for predicting the onset of water-droplet instability at the GDL/GFC interface. Using a state-of-the-art neutron imaging instrument available at NIST (National Institute of Standard and Technology), we probed liquid-water distribution inside an operating PEMFC under a variety of operating conditions and investigated effects of evaporation due to local heating by waste heat on water removal. Moreover, we developed computational models for analyzing the effects of micro-porous layer on net water transport across the membrane and GDL anisotropy on the temperature and water distributions in the cathode of a PEMFC. We further developed a two-phase model based on the multiphase mixture formulation for predicting the liquid saturation, pressure drop, and flow maldistribution across the PEMFC cathode channels. In the second part of this report, we document our efforts on modeling the electrochemical performance of PEMFCs. We developed a constitutive model for predicting proton conductivity in polymer electrolyte membranes and compared model prediction with experimental data obtained in our laboratory and from literature. Moreover, we developed a one-dimensional analytical model for predicting electrochemical performance of an idealized PEMFC with small surface over-potentials. Furthermore, we developed a multi-dimensional computer model, which is based on the finite-element method and a fully-coupled implicit solution scheme via Newton's technique, for simulating the performance of PEMFCs. We demonstrated utility of our finite-element model by comparing the computed current density distribution and overall polarization with those measured using a segmented cell. In the last part of this report, we document an exploratory experimental study on MEA (membrane electrode assembly) degradation.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.