Chemical Industry

Your benefit

The chemical industry is one of our traditional fields of business. Many major chemical companies have been users since the very beginning as in the chemical industry a small increase in efficiency may have a great impact on the revenue. The high predictivity to new areas of chemistry and the general applicability are probably the most valued features of COSMOtherm and allow you to:

  • Optimize your processes and formulations
  • Promote innovation
  • Understand your reactions
  • Tackle unexpected challenges

Potential applications

  • Down stream processing: solvent selection, partitioning
  • Distillation processes: vapor liquid equilibria (VLEs), activities and entrainers
  • Analyzing and optimizing chemical reactions in gas phase and in solution
  • Property prediction ranging from pKa to vapor pressures to octanol-water partitioning and environmental life times
  • Analyzing and solving unexpected challenges within the production chain (undesired smell, precipitation, etc.)

 

The theory behind - find detailed background information:

Universality, predictivity and realistic thermodynamics are all direct consequences of the unique combination of quantum chemistry and statistical thermodynamics provided by the COSMO-RS theory. No other method can predict such a broad variance of properties so consistently with a state-of-the-art accuracy.