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Assuming you have downloaded the Intel ODE Library and compiled a working executable, it is run as follows:

Basic Usage Instructions:

The chemical kinetics mechanism is presented in a file named "chem.inp", using a standard Chemkin format, as long as no third body reactions are present. (The code was written around the Chemkin files generated by MIT's RMG.) Initial conditions for the chemical kinetics mechanism are presented in a file "initial.inp". (Both are plain text files.)

The "initial.inp" file can use the following required key words:

Temperature 423   ! initial temperature/K
EndTime  5e4 1.0e0! second entry is time step
O2(2)      0.02 ! concentrations of initial species, assumes mol/L
C12H26(1)   4.7

Optional key words include:

IRREV ! flag to make scheme irreversible, set automatically where necessary
PrintReac ! prints reaction rates
Threshold  1.0e-13
RTOL 1.0e-7

As it was designed for liquid phase chemistry, the solver will employ and solve for a straightforward Arhenius expression. Pressure is not officially supported and only exists as an experimental module, third body reactions are not supported. The code has a number of keywords to extract data as it works, with varying impact on runtime.