Reaction hazard assessment
ChemInform Saint-Petersburg (CISP) Ltd. offers the complete Thermal Safety Software (TSS) series for investigation of thermal hazards of chemical reactions.Based on up-to-date methodology of various calorimetric experiments, theory of chemical kinetics, and powerful mathematical and numerical methods, this software covers the entire spectrum of typical problems starting from thorough processing of experimental data and ending with simulation of chemical reactors, and modelling of runaway of various kinds and vent sizing. The software includes application for: - calorimetric data processing - ADPro and TDPro;
- kinetics evaluation - ForK and DesK;
- thermal explosion simulation in solids and liquids - ThermEx and ConvEx;
- runaway simulation in a reactor with emergency relief system - BST.
ADPro includes all the necessary procedures for reliable processing of adiabatic data obtained by Accelerating Rate Calorimeter (ARC), Vent Sizing Package (VSP) and Phi-Tech, Reactive System Screening Tool (RSST), DEWAR, etc. TDPro provides treatment of data of differential scanning calorimetry (DSC), heat flux and isothermal calorimetry, thermogravimetry (TG), differential thermal analysis (DTA), combined methods - DSC+TG, DTA+TG, etc. ForK provides creation of formal models based on conversions as state variables. Multi stage complex formal models can be constructed without any programming. DesK allows applying concentration-based models that obey the generalized law of mass action. These models are applicable for BATCH, semi-BATCH, CSTR. No programming is required for creation of a model. ThermEx provides simulation of thermal explosion in solids when heat transfer in a reactant occurs due to thermal conductivity. ThermEx allows determination of critical conditions (size of a container, environment temperature, induction period) for complex kinetic models and various container shapes. ConvEx is used for simulation of thermal explosion in liquids. Both thermal conductivity and natural convection in liquid are taken into account when simulation. ConvEx also provides determination of critical conditions for vertical and horizontal tanks.
Based on DIERS methodology, the BST software provides simulation
of runaway in well-stirred batch tanks and calculation of emergency pressure
relief systems. BST is equally applicable to vapor, gas and hybrid systems.
Complex multi sage formal and descriptive kinetic models can be used for simulation.
Rating reactivity of substances and reacting mixtures. By using formal and
descriptive kinetic models one can determine NFPA reactivity rating number,
calculate adiabatic Time to Maximum Rate (TMR) and estimate thermal stability
of a compound
Based on ut-to-date mathematical methods the software allows process optimization
aimed at creation of the inherently safer process
| 
