MSRS (Multispecies Shale Retorting Simulator): A Fortran Code for the Numerical Dynamic Simulation of Solid/Fluid Reactions in Nonisothermal Multispecies Porous Spheres with Stefan-Maxwell Diffusion: Final Report

摘要

This manual describes the Fortran code MSRS (Multispecies Shale Retorting Simulator), the model equations that it solves, and the subroutines that the user must write to define a particular simulation. When used with Petzold's differential/algebraic equation solver, DASSL, numerical dynamic simulations can be produced which model multiple, reversible or irreversible reactions with Arrhenius reaction rate temperature dependence, among multiple porous solid reactants and multiple fluid reactants. Only spherically symmetric pellets of unchanging outer radius are treated but the pellets can be nonisothermal and of nonconstant porosity. Flick's First Law and Fourier's Law govern fluid mass and energy (solid temperature) transport. A stagnant thin film model for boundary transport is included. It is hoped that user feedback will develop to guide the future evolution of the code. (ERA citation 13:029992)