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Full-Text Articles in Engineering
Simulation And Density Functional Study Of A Simple Membrane Separating Two Restricted Primitive Model Electrolytes, Richard L. Rowley, Dezso Boda, Douglas Henderson, Stefan Sokolowski
Simulation And Density Functional Study Of A Simple Membrane Separating Two Restricted Primitive Model Electrolytes, Richard L. Rowley, Dezso Boda, Douglas Henderson, Stefan Sokolowski
Faculty Publications
A simple membrane, supporting charge densities on its inner and outer surfaces, is considered. In addition to the electrostatic potential, the membrane interacts with the surrounding fluid by a short range van der Waals-like potential. The fluid beyond the outer surface is a three-component restricted primitive electrolyte consisting of two cations and one anion. The membrane is impermeable to one of the cations so that the fluid in the membrane and beyond the inner surface is a two-component restricted primitive electrolyte. We use Monte Carlo simulations and density functional theory to study the density profiles of the electrolyte and the …
Material Balance Modification In One-Dimensional Modeling Of Porous Electrodes, Mukul Jain, John W. Weidner
Material Balance Modification In One-Dimensional Modeling Of Porous Electrodes, Mukul Jain, John W. Weidner
Faculty Publications
The material balance used previously in one-dimensional mathematical models of porous electrodes is invalid when there is a non-zero volume change associated with the reaction. It is shown here how the material balance should be modified either to account for a loss in volume, or to account for an inflow of electrolyte from the header into the active pores. A one-dimensional mathematical model is used to illustrate the effect of this correction on the prediction of the delivered capacity and the electrolyte concentration in a lithium/thionyl chloride primary battery.