MODIFICATION OF A THERMAL TRANSPORT CODE TO INCLUDE CHEMISTRY WITH THERMALLY CONTROLLED KINETICS

Abstract

A finite-element thermal transport code is modified to include the effects of chemistry with thermally controlled kinetics. There are two types of pathways for a chemical reaction in energy-temperature space: one resembles a phase change and the other resembles a burn. Effective heat capacity methods are robust and stable for phase-change calculations, while heat source methods give the best results for a burn. We propose an energy-conserving method that adapts to the heat release (or absorption) mechanism using either effective heat capacity or heat source ideas. The method is applied to two examples: a burn and a phase change.