ReactOpCascade

ReactOp^® (Reactor Optimization) addresses the critical problems of reaction kinetics and reactor design:

• Kinetics evaluation - estimation of complex reaction rate parameters, based on available sets of experimental data
• Simulation of chemical reactors and cascades of chemical reactors on the basis of relevant mathematical models, reactor mechanisms and operational conditions
• Optimization of chemical reactors 

Data:

ReactOp allows handling of multi-response data i.e. concentrations, conversions, temperature, pressure, heat production rate, gas generation rate, etc. ReactOp provides an internal storage database. The database consists of project data sets containing initial and resultant information about particular tasks.

Structure:

ReactOp is based on Wizard - a proprietary software package that assists the user in solving reactor problems. Wizard accompanies user when he simulates chemical reactors, estimates kinetic parameters, optimizes chemical reactors, etc. Wizard provides the user with sequential directions and legends for a better understanding of the immediate procedure. 

Kinetics models:

ReactOp supports three different types of reaction kinetics models:

• Models that obey the law of mass action (reaction rate is proportional to concentrations of reagents)
• Models that obey the generalized law of mass action (non-integer values of effective orders and stoichiometric coefficients)
• User programmed models

The first two types of models do not require programming. Customers have flexibility to program their own models in FORTRAN.

Reactor models:

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 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.

We offer the most advanced version of ReactOp – ReactOp Cascade. It has the following features:

• Storage of experimental data

• Construction of reaction schemes by treatment of experimental data

• Designing the  models of chemical reactors (standard and user-defined reactor models)

• Designing  models of cascades including several chemical  reactors

• Simulation of chemical reactors

• Parameter estimation

• Optimization of chemical reactors

ReactOp Cascade includes library of of 17 standard liquid phase reactor models (Batch reactors, CSTRs, semibatch reactors, plug flow reactors) and 11 standard gas phase reactor models (CSTRs, plug flow reactors).

Note! The latest version is compatible with MS Windows 7,8. Furthermore, some bugs have been fixed.

Download latest version of ReactOp Cascade  

• Version History