CHEMSIMUL is a computer program system for numerical simulation of chemical reaction systems. It can be used for modeling complex kinetics in many different contexts. It contains a translator module and a module for solving the resulting coupled nonlinear ordinary differential equations. A number of special features are described, in particular a method for verifying the mass balance, and the computation af reaction heat and temperature rise by thermodynamic coupling to the kinetics. Graphical output is facilitated by so-called “plot expressions”. The capabilities of CHEMSIMUL is illustrated by examples.
|Title of host publication||New research and its application in industry|
|Number of pages||14|
|Publisher||Safetynet - European Network on Process Safety|
|Publication status||Published - 2000|
|Event||2nd Internet Conference on Process Safety - |
Duration: 20 Mar 2000 → 24 Mar 2000
|Conference||2nd Internet Conference on Process Safety|
|Period||20/03/2000 → 24/03/2000|
Kirkegaard, P., Bjergbakke, E., & Markert, F. (2000). CHEMSIMUL - a tool for simulating chemical reaction systems. In New research and its application in industry Safetynet - European Network on Process Safety.