A user-friendly programme ‘SIMKINE’ for simulation of kinetics involving complex reaction mechanisms. (English) Zbl 1025.92017

Summary: A programme, ‘SIMKINE’, 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 another method, reported in literature.


92E20 Classical flows, reactions, etc. in chemistry
92-04 Software, source code, etc. for problems pertaining to biology
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