ThermEx
 | Purpose of the program |  |
The ThermEx program is intended for the simulation of explosions in solids and highly viscous liquids when convection and diffusion can be ignored. Simulation of a problem is implemented by numerical solving the system of partial differential equations consisting of heat and mass balance equations and kinetic equation. Thermal explosion simulation provides: - determining critical conditions (size of a system, environment temperature, induction period);
- analyzing the behavior of a system under extraordinary external conditions (fire, etc.);
- estimating influence of package walls or other constructional details on explosion development.
| Storing data | |
ThermEx provides storage of data into internal database. Database consists of data volumes (DV). Every DV includes number of data sets; each data set may represent kinetics, operational conditions, and physical properties of a substance. ThermEx allows saving projects. Every project includes all the information prepared for simulation-kinetic model, operational conditions, and physical properties of a substance. | Type of kinetic models | |
ThermEx allows application of complex multi stage formal models. A model can be loaded from the ForK database or created by using facility of ThermEx. | Type of reactor's models | |
A reaction is considered to proceed in a batch reactor when heat transfer across the reactant is provided by heat conductivity only. The following shapes are available: - one dimensional case: infinite cylinder, infinite slab, sphere;
- two-dimensional case - cylinder with limited length (barrel);
- three-dimensional case - rectangular box.
A reactor may be surrounded with the inert shell. For one- and two-dimensional cases the set of co-axial inert partitions can be defined. Every partition may have unique thermal physical properties. | Boundary conditions | |
The boundary conditions of the first, second, and third kind can be defined for every side of a reactor independently. Parameters defining boundary conditions can be assigned as table functions of time. | Simulation module | |
Simulation module provides simulation of thermal explosion and has the following features: - User's accuracy control of numerical integration method;
- visualizing variation of maximal temperature and conversions on time in on-line mode; optionally temperature and conversions in any point can be visualized instead;
- on-line visualizing temperature and conversion distributions in cross-section of a reactor;
- automatic determination of induction time of thermal explosion.
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