| Abstract: | Constant-stepsized computer simulation of chemical reactions gives unreasonable results when the accepted stepsize exceeds a limit. The maximum permitted stepsize is found as the lifetime of the most reactive intermediate in the mechanism from mathematical derivations on simple reaction models. Steady state approximation on this reactive intermediate may relieve this limitation and save computer's computation time. This approximation method has been satisfactorily applied to the simulation of the thermal decomposition of methane. |
