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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.
The main computer platform for CHEMSIMUL is the Windows PC (XP or later).
CHEMSIMUL comes with a Graphical User Interface (GUI).
Comments, improvement suggestions, and error reportings are welcome and should be directed to the authors (firstname.lastname@example.org).
Tutorials and examples
List of the most common filetypes used by CHEMSIMUL.
A classic version of CHEMSIMUL running in command mode (DOS and Linux) is available,
using the same input and output format as the GUI version.
The price of a full CHEMSIMUL license is EUR 700.
A demo version is available free of charge.
How to acquire CHEMSIMUL
To be able to run the CHEMSIMUL program, a license key is required.
Note for residents of the EU: Please supply the VAT-number of your institution.
You will then receive the license key by e-mail. An invoice will be sent to you.
The full version of CHEMSIMUL, including test data, can be installed here (CHEMSIMUL version
Free demo version
A free demonstration program called CHEMSIMUL_Demo (GUI version),
which has restrictions on the number of reactions and species,
is available for free use and redistribution.
The documentation is the same as for the unrestricted CHEMSIMUL.
CHEMSIMUL sample data files
A set of sample data files for CHEMSIMUL is available here.
Webmaster 5 july 2016