Mechanism Workbench
a groundbreaking software tool for automatic reduction of chemical kinetic mechanisms
Overview
Mechanism WorkBench is a ground braking software tool for automatic reduction of chemical kinetic mechanisms. It adapts the accurate detailed chemistry for massive engineering simulation of chemical reactions. Using Mechanism Workbench engineers will substantially increase the accuracy of the CFD modeling, while keeping short turn-around time of the simulations. It helps to significantly reduce the size of the detailed chemical mechanism without loss in accuracy of simulations, when the specific problem and targets of simulations are defined.
Advantages
Fully automated reduction mechanism
Customization of the mechanism of reduction
Wide set of reduction targets
Integration with third-party software
Applications
High-temperature chemistry: thermodynamics and kinetics
Thermodynamic optimization of processes in plasma-chemical industry
Non-equilibrium plasma radiation properties for light-sources design
Fuel design and fuel chemistry model development
Combustion process design and pollutants formation assesment
Thin films deposition/etching for micrelectronics
Publications
- Lebedev, A.V., Okun, M.V., Chorkov, V.A. et al. Systematic procedure for reduction of kinetic mechanisms of complex chemical processes and its software implementation. J Math Chem 51, 73–107 (2013).
- Lebedev A.V, Zaev I.A., Potapkin B.V., Self-consistent DRG: new implementation of directed relation graph mechanism reduction procedure,Proceeding of the 24th ICDERS, Taibei, July 28 – August 2, 2012
