Pressure Dependent Networks
CanTherm can estimate pressure-dependent phenomenological rate coefficients k(T,P) for unimolecular reaction networks of arbitrary complexity. The approach is to first generate a detailed model of the reaction network using the one-dimensional master equation, then apply one of several available model reduction methods of varying accuracy, speed, and robustness to simplify the detailed model into a set of phenomenological rate coefficients. The result is a set of k(T,P) functions suitable for use in chemical reaction mechanisms. You can use it right from your web browser by following the link below:Log in to see your previous reaction networks.