CHEMSIMUL

CHEMSIMUL is a computer program for simulation of chemical kinetics. It can model complex reactions, in particular radiolytic processes with pulse trains, or radiolysis from nuclear waste. It contains a translator module and a module for solving the resulting coupled nonlinear ordinary differential equations. There is also a module for verifying the mass balance as well as stoichiometric balance. Heterogeneous processes can be simulated by so-called exchange equations. These and Refreshable Parameters are powerful tools for calculating many physico-chemical quantities, e.g. the ionic strength. Sequental simulation is possible if the reaction volume is exposed to changing physical conditions.

Primary location: Roskilde Denmark