Chemical WorkBench

Chemical WorkBench is a proprietary simulation software tool aimed at the reactor scale kinetic modeling of homogeneous gas-phase and heterogeneous processes and kinetic mechanism development. It can be effectively used for the modeling, optimization, and design of a wide range of industrially and environmentally important chemistry-loaded processes. Chemical WorkBench is a modeling environment based on advanced scientific approaches, complementary databases, and accurate solution methods. Chemical WorkBench is developed and distributed by Kintech Lab.

Chemical WorkBench models

Chemical WorkBench has an extensive library of physicochemical models:

• Thermodynamic Models
• Gas-Phase Kinetic Models
• Flame model
• Heterogeneous Kinetic Models
• Non-Equilibrium Plasma Models
• Detonation and Aerodynamic Models
• Membrane Separation Models
• Mechanism Analysis and Reduction

Fields of application

Chemical WorkBench can be used by researchers and engineers working in the following fields:

• General chemical kinetics and thermodynamics
• Kinetic mechanisms development
• Thin films growth for microelectronics
• Nanotechnology
• Catalysis and chemical engineering
• Combustion, detonation and pollution control
• Waste treatment and recovering
• Plasma light sources and plasma chemistry
• High-temperature chemistry
• Education
• Combustion and detonation, clean power-generation technologies, safety analysis, CVD, heterogeneous and catalytic reactions and processes, and processes in non-equilibrium plasmas are the main areas of interest.

External links

• Chemical WorkBench web page
• Video Review of Chemical Workbench-Tool for Modeling Reactive Flows and Developing Chemical Mechanisms

See also

• Chemical kinetics
• Autochem
• Cantera
• CHEMKIN
• Kinetic PreProcessor (KPP)
• Laboratory information management system

References

1. https://web.archive.org/web/20090108090305/http://www.softscout.com/software/Science-and-Laboratory/Scientific-Modeling-and-Simulation/Chemical-Workbench.html
2. Deminsky, M; Chorkov, V; Belov, G; Cheshigin, I; Knizhnik, A; Shulakova, E; Shulakov, M; Iskandarova, I; Alexandrov, V; Petrusev, A; Kirillov, I; Strelkova, M; Umanski, S; Potapkin, B; et al. (2003). "Chemical Workbench––integrated environment for materials science". Computational Materials Science. 28 (2): 169–178. doi:10.1016/S0927-0256(03)00105-8.

3. Astapenko, M; Bagatur’yants, Alexander; Chernishova, Irina; Deminsky, Maxim; Eletskii, Alexander; Kirillov, Igor; Knizhnik, Andrei; Potapkin, Boris; Rykova, Elena; Umanskii, Stanislaw; Zaitsevskii, Andrei; Strelkova, Marina; Sukhanov, Leonid; Safonov, Andrei; Cotzas, George M.; Dean, Anthony; Michael, J. Darryl; Midha, Vikas; Smith, David J.; Sommerer, Timothy J.; Varatharajan, Bala; Tentner, Adrian; et al. (2007). "First-Principles-Based Development of Kinetic Mechanisms in Chemically Active Light-Emitting Nonthermal Plasmas and Gases". AIP Conf. Proc. 901: 204–2014. doi:10.1063/1.2727370.