InSafer
 | Purpose of the program |  |
InSafer™is intended for optimization and design of inherently safer BATCH and semi-BATCH chemical processes. The software doesn't have any commercial analogs. Process optimization for a given set of equipment is implemented. The optimization is aimed at finding an operational mode, which provides an inherently safer process, i.e. a process which is as safe as possible under normal operating conditions and in case of an accident.
Main merits of the program:
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The choice of different available criteria that allow taking into account both process safety and process feasibility.
- There are simple and flexible methods for defining control variables that are to be optimized.
- InSafer is based on the up-to-date efficient methods of numerical mathematics, chemical kinetics and optimization.
The following control variables or parameters can be subject to optimization:
- Environment (jacket) temperature
- Initial temperature of a reacting mixture
- Heat transfer coefficient
- Inlet flow rates
InSafer supports two methods of calculation of physical properties of multi component reacting mixture:
- By using the built-in simplified database of physical properties of species that is to be replenished by the user. In this case the mixture properties are calculated by using the additive rules. This method can be applied for preliminary analysis.
- By importing properties of non-ideal multi component mixture from the MIXTURE software. This method provides much more accurate simulation but requires more time for solving a problem.
| Available types of kinetic models | |
InSafer is principally based on the use of the descriptive kinetic models. These models are formulated in terms of concentrations and, therefore, can describe the reaction's mechanism in more detail. The validity of the generalized law of mass action (GLMA) is assumed, i.e. the rate of a stage is proportional to the product of concentrations with arbitrary orders. The particular case of the exact law of mass action (LMA) is foreseen when the orders coincide with the stoichiometric coefficients.
A model can be created manually when working with InSafer, loaded from its data base, or imported from the DesK data base.
In any case creation of a model doesn't require any programming.
| Type of reactor's model | |
Every time the model of a jacketed continuous stirred tank reactor (CSTR) is assumed. Such a reactor can have several independent inlets and one outlet, which is automatically synchronized with the inlets. Control variables that define operating conditions (environmental temperature, heat transfer coefficient, inlet flow rates) can be defined as table functions on time;
- A reactor can have several multi component inlets. Composition of a mixture and its temperature can be defined separately for every inlet.
- The outlet is automatically synchronized with the inlets
zero outlet one can transform CSTR to a semi-BATCH reactor. If there are no inlets then the BATCH process will be simulated.
| Storing data | |
InSafer uses the same type of database for storing projects as databases of ForK and DesK. The InSafer project is fully compatible with the DesK project therefore one can import data into InSafer (in particular kinetic model) from DesK and vice versa.
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