ReactOp (Reactor Optimization) is the ultimate tool for kinetics evaluation and optimization of chemical reactors. Based on experimental data, a chemical reactor can be optimized in three steps:
- evaluation of the kinetics model;
- creation of the reactor model;
- final optimization
ReactOp addresses the critical problems of reaction kinetics and reactor design:
- evaluation of possible stoichiometric equations of a complex chemical reaction on the basis of available experimental data;
- kinetics evaluation - estimation of complex reaction rate parameters, based on available sets of experimental data;
-simulation of chemical and cascades of chemical reactors on the basis of relevant mathematical models, reactor mechanisms and operational conditions;
- optimization of chemical reactors.
ReactOp deals with mathematical models of single and cascades of similar chemical reactors.
A complete library of chemical reactors including models of batch, continuous, semibatch and plug flow reactors. For plug flow reactor, different directions of coolant and mixture flows are considered.
The gas phase reactor models take into account the dependency of gas velocity on temperature and the number of moles of compounds.
User can derive new models of chemical reactors or reactor cascades from existing models without programming by replacing the default chemical kinetic mechanism with a new one.
User has the full access to descriptions and FORTRAN source code of the library models.
Open architecture ensures modification of FORTRAN code and creation of new chemical reactor models. All the necessary tools are available in the ReactOp environment.
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