Chemical Workbench by Kintech Ltd

4.94 - What's this?

Chemical Workbench is designed for kinetic simulation and conceptual process design for important industrial and research applications such as Hydrogen Energy, Nanotechnology, Material Science, Plasma Chemistry, and Pollution Control. The GUI permits the user to build his simulation model of the processes from universal reactor models by creating reactor chains containing linked reactors objects. This option dramatically increases the programís capability to study physical and chemical processes. Integrated toolkit the CARAT allows you to estimate the thermodynamic properties of substances, the cross sections and rate constants of elementary gas and plasma processes. CARAT combined with Chemical Workbench they help you to develop and analyse Chemical mechanism of the processes.

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Features

  • »†Kinetic simulation and conceptual design of physical and chemical processes
  • »†Chemical mechanisms development
  • »†Calculation of rate constant of chemical reactions
  • »†Import of data from output files of popular Quantum Chemistry codes
  • »†Set of reactor models for modeling overall chemical process and verification/analysis of proposed mechanism
  • »†Thermodynamic, kinetic, chemical mechanisms databases
Russian, English

Supported Technologies

Windows 95/98/ME, Windows XP/2000/NT
Firebird, Microsoft Access
C/C++, Visual Basic (VB), XML
Software
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Pricing

Users (# of seats)
contact vender
info@kintech.ru
7 095 1969415



Additional software product description, benefits, features, and uses.

Additional Product Information

Chemical Workbench is designed for kinetic simulation and conceptual process design. Easy-to-use graphical user interface (GUI) helps you to simulate, optimize, and design a wide range of thermodynamic and kinetic aspects of chemical processes and reactors for important industrial and research applications such as Hydrogen Energy, Nanotechnology, Material Science, Plasma Chemistry, Pollution Control or educational. Combustion and detonation waves, safety analysis, CVD, heterogeneous and catalytic reactions and processes are the main areas of interest. Chemical Workbench contains built-in, tightly integrated thermodynamic, kinetic and chemical mechanisms databases. The GUI permits the user to build his simulation model of the processes from universal reactor models by creating reactor chains containing linked reactors objects. This option dramatically increases the programís capability to study physical and chemical processes.
Integrated toolkit the CARAT allows you to estimate the cross sections and rate constants of elementary gas and plasma processes. 87 models for collision processes in gases and plasmas with participation of atoms, molecules, ions, and electrons included in the CARAT. The databases of recommended particle properties and quantitative characteristics of collision processes are built in. Implementation of models allows one to calculate cross sections for elastic and inelastic collisions, and rate constants for energy transfer processes and reactions within a wide range of parameters and variables, i.e., the collision energy, gas temperature, etc. Also the CARAT can import the results of quantum-chemical calculations, extract the numerical information required and calculate the thermodynamic properties of substances, the cross sections and the rate constants of elementary chemical reactions based on the available theoretical models, like statistical theory or transition state theory models, etc.
CARAT combined with Chemical Workbench they help you to develop and analyse Chemical mechanism of the processes.


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