Chemical Workbench
Software for kinetic mechanism analysis and device or reactor scale kinetic modeling of processes in gases, plasma and at the gas-solid interfaces
Overview
Conceptual design of chemistry-loaded processes and development of the detailed and reduced chemical models of processes in reactive media is a necessary stage of the modern academic and industrial R&D in energy, environment and process industry. Kintech Lab’s family of software products, which includes Chemical workbench software, Mechanism workbench tool and KintechDB database is focused on these tasks. It helps to develop detailed and reduced chemical kinetic mechanisms of processes in gases, plasma and at the gas/solids surface and use them to answer the questions “what-if” at the conceptual design stage, thus reducing time and efforts required for the detailed engineering design.
Advantages
In-house optimized numerical solvers for stiff ODE systems
Optimized and tested procedures for mechanism reduction
Wide range of reactor models for detailed mechanism development
Flexible interface, unified across the family of software tools
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
- M. Deminsky, V. Chorkov, G. Belov, I. Cheshigin, A. Knizhnik, E. Shulakova, M. Shulakov, I.Iskandarova, V. Alexandrov, A. Petrusev, I. Kirillov, M. Strelkova, S. Umanski, B. Potapkin. Chemical Workbench––integrated environment for materials science. Computational Materials Science, vol. 28, Issue 2, October 2003, pp. 169–178
- 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).
