CHEMSIMUL is a computer program system for numerical simulation of chemical reaction systems. It can be used for modeling complex kinetics in many contexts, in particular radiolytic processes with pulse trains. It contains a translator module and a module for solving the resulting coupled nonlinear ordinary differential equations. An overview of the program system is given, and its use is illustrated by examples. A number of special features are described, in particular a method for verifying the mass balance. Moreover, the document contains a complete User’s Guide for running CHEMSIMUL on a PC or another computer. Finally, the mathematical implementation is discussed.
|Place of Publication||Roskilde|
|Publisher||Risø National Laboratory|
|Number of pages||32|
|Publication status||Published - 1999|
|Series||Denmark. Forskningscenter Risoe. Risoe-R|