The Gas-phase Kinetics input file includes information on elements, species, thermodynamic data, and the reaction mechanism. Information in the gas-phase kinetics input file is organized in ordered sections. Element data are read first, species data are second, followed by optional thermodynamic data, with reactions specified last. The thermodynamic data for the species may be included in the Gas-phase Kinetics input file and/or in a separate Thermodynamic Database file (therm.dat). The syntax for the four types of input is described below.
Note: The description of gas-phase kinetics input in this chapter is derived from the Gas-phase Kinetics Input in the Chemkin Input Manual. However, there are a few reaction-rate formulations that are not allowed within KINetics due to the fact that the KINetics module does not treat plasmas. The specific reaction formulations that have therefore been omitted here are: a) Optional Rate-fit Expressions, b) Radiation Wavelength Parameter, c) Species Temperature Dependence, d) Energy Loss Parameter, and e) Plasma Momentum Collision Frequency Options.
Note: With the exception of the thermodynamic data, all input is format free, although information outside of column 100 will be ignored.