Simulation of Kinetics of Chemical Conversions: Thermodynamic Approach

An approach of simulation of processes of chemical conversions in arbitrary gas-phase systems is presented. The approach is based on the direct application of a principle of the maximal rate of the entropy creation. A quantity proportional to a gradient of the thermodynamic potential is assumed as a motive force of the chemical process. The developed computation algorithm is implemented in a form of a universal computer program. Results of program runs are compared with design and experimental data.