Kintech Lab - Intagrated Tools for Inventive Solutions

Chemical Workbench is an integrated software package for constructing kinetic mechanisms and a for the conceptual design of physical and chemical processes and devices based on them, as well as the analysis of chemical mechanisms. The main users are researchers and engineers developing technologies based on physicochemical transformations for energy, chemical technology, metallurgy, microelectronics and ecology

Chemical Workbench 4.0

Multicomp features

Purpose of Multicomp code

  • The code is aimed for development of new composite materials with polymer matrix
  • The code is specially developed for high-performance materials screening using supercomputer resources
  • The code can predict the following materials properties:
    • structural
    • mechanical
    • Waste treatment and recovering
    • transport

Advantages of Multicomp code

  • Advanced simulation modules for generation of nanocomposite structures
  • Integration of simulation models of nanocomposites at micro-meso- and macro scale
  • Scientific workflow system for automatic calculations
  • Client-server architecture for deployment on high-performance computer resources
  • Open architecture: possibility to add, modify and replace simulation modules without developer support
  • Flexibility in adaptation and configuration
  • Convenient graphical user’s interface
  • 1D-2D-3D-visualization of calculation results

Calculated physical properties

Structural properties

  • Radial distribution function
  • Structural factor S(q) (X-ray, neutron)
  • Porosity
  • Clusterization and percolation
  • Topology of polymer network
Mechanical properties

  • Distribution of stresses in nanocomposite
  • Stress-strain curves
  • Elastic constants, Young’s modulus, Poisson ratio
  • Dynamic factor
Thermophysical properties

  • Temperature dependence of density, glass temperature Tg
  • Thermal expansion coefficient
  • Thermal conductivity
Transport properties

  • Diffusion coefficients for small molecules (O2,N2,CO,CO2,NH4,He, Ar)


If you are interested in Multicomp package, please contact

 Download software
Contact sales