Optimization of the lithium/thionyl chloride battery

The progress which has been made in modeling the lithium/thionyl chloride cell over the past year and proposed research for the coming year are discussed. A one-dimensional mathematical model for a lithium/thionyl chloride cell has been developed and used to investigate methods of improving cell performance. During the course of the work a problem was detected with the banded solver being used. It was replaced with one more reliable. Future work may take one of two directions. The one-dimensional model could be augmented to include additional features and to investigate in more detail the cell temperature behavior, or a simplified two-dimensional model for the spirally wound design of this battery could be developed to investigate the heat flow within the cell

Mathematical modeling of a thermovoltaic cell

A new type of battery named 'Vaporvolt' cell is in the early stage of its development. A mathematical model of a CuO/Cu 'Vaporvolt' cell is presented that can be used to predict the potential and the transport behavior of the cell during discharge. A sensitivity analysis of the various transport and electrokinetic parameters indicates which parameters have the most influence on the predicted energy and power density of the 'Vaporvolt' cell. This information can be used to decide which parameters should be optimized or determined more accurately through further modeling or experimental studies. The optimal thicknesses of electrodes and separator, the concentration of the electrolyte, and the current density are determined by maximizing the power density. These parameter sensitivities and optimal design parameter values will help in the development of a better CuO/Cu 'Vaporvolt' cell

A mathematical model of the maximum power density attainable in an alkaline hydrogen/oxygen fuel cell

A mathematical model of a hydrogen/oxygen alkaline fuel cell is presented that can be used to predict the polarization behavior under various power loads. The major limitations to achieving high power densities are indicated and methods to increase the maximum attainable power density are suggested. The alkaline fuel cell model describes the phenomena occurring in the solid, liquid, and gaseous phases of the anode, separator, and cathode regions based on porous electrode theory applied to three phases. Fundamental equations of chemical engineering that describe conservation of mass and charge, species transport, and kinetic phenomena are used to develop the model by treating all phases as a homogeneous continuum

New secondary batteries utilizing electronically conductive polymer cathodes

The objectives are to optimize the transport rates in electronically conductive polypyrrole films by controlling the morphology of the film and to assess the utility of these films as cathodes in a lithium/polypyrrole secondary battery. During this research period, a better understanding was gained of the fundamental electrochemical switching processes within the polypyrrole film. Three publications were submitted based on the work completed

A mathematical model for predicting cyclic voltammograms of electronically conductive polypyrrole

Polypyrrole is an attractive polymer for use as a high-energy-density secondary battery because of its potential as an inexpensive, lightweight, and noncorrosive electrode material. A mathematical model to simulate cyclic voltammograms for polypyrrole is presented. The model is for a conductive porous electrode film on a rotating disk electrode (RDE) and is used to predict the spatial and time dependence of concentration, overpotential, and stored charge profiles within a polypyrrole film. The model includes both faradic and capacitance charge components in the total current density expression

In Situ Degradation of Polyhalogenated Aromatic Hydrocarbons by Electrochemically Generated Superoxide Ions

The reduction of dioxygen in aprotic media yields superoxide ions which react with polyhalogenated aromatic hydrocarbons by nucleophilic substitution. The degradation of hexachlorobenzene to bicarbonates and chlorides using in situ generated superoxide ions was carried out at room temperature in a flow cell system equipped with a gas fed, porous electrode. The effects of current, electrolyte flow, and aprotic media on the extent of degradation of hexachlorobenzene are presented

A Model of the Bromine/Bromide Electrode Reaction at a Rotating Disk Electrode

A mathematical model is presented for the Br2/Br– electrode reaction at a rotating disk electrode. The model includes current density-overpotential expressions for the electrode reaction according to either the Volmer-Heyrovsky (V-H) or the Volmer-Tafel (V-T) mechanism and the transport equations including the effect of ionic migration. The model is used to predict current-overpotential curves for various cases of interest. Qualitative comparison of the model predictions to literature data shows that either the V-H or the V-T mechanism, with V controlling, may be acceptable for the Br2/Br– reaction

Simulation of Reduction of Cr(VI) by Fe(II) Produced Electrochemically in a Parallel-Plate Electrochemical Reactor

A model is presented for the reduction of hexavalent chromium in a parallel-plate electrochemical reactor via a homogenous reaction between Cr(VI) and Fe(II) generated at the iron anode. The effects of the space velocity of the feed solution, the concentration of supporting electrolyte, the distance between the electrodes, and the cell potential on conversion of Cr(VI) to Cr(III), are discussed. This study indicates that for reduction of Cr(VI) using Fe(II), the space velocity must be maintained below 0.02s−1 or the system becomes limited by the rate of reduction of Cr(VI) by Fe(II). Increasing the current density by increasing the cell potential, increasing the amount of supporting electrolyte, and decreasing the distance between the electrodes increases single pass conversion of Cr(VI) to Cr(III); however, increasing the current density also increases the specific energy required by the system