A user-friendly programme 'SIMKINERSQUO; for simulation of kinetics involving complex reaction mechanisms.
A programme, 'SIMKINERSQUO; is developed using a semi-implicit extrapolation method (SIEM) which uses the implicit midpoint rule and extrapolation to simulate complex mechanisms based on the kinetics of homogeneous chemical systems. The chemical kinetics pre-processor code is designed to translate a user-specified system of chemical rate equations into a system of chemical kinetic differential equations. The developed programme is applied to the 13-step mechanism of the reaction between Nile blue and acidic bromate. The results obtained compare well with the curves drawn using the other method, reported in literature.
Jonnalagadda
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SB
Chemistry Department, School of Physical Sciences, University of Durban-Westville, P Bag X54001, Durban 4000, South Africa. jonna@pixie.udw.ac.za
Parumasur
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N
Shezi
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MN