Predicting properties with COSMO-RS

 

COSMOlogic provides a COSMO-RS based software suite for in-silico property prediction. As inventor of COSMO and COSMO-RS we deliver the most advanced implementation on the market.

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If you have any question or would like to get a free evaluation, we are glad to help!
Please contact us at cosmotherm@cosmologic.de

Improve your science

  • Faster product development
  • Predictions to guide your lab work
  • Find innovative or unexpected solutions
  • Better understanding of your chemistry

Typical applications

  • Solvent selection or replacement
  • Cocrystal screening
  • Reaction modelling in solution
  • Process optimization
  • Trouble shooting

Why COSMO-RS

  • Applicable throughout organic chemistry
  • Full thermodynamics: mixtures, T-dependency, G, H and S output
  • More physics, less parameters
  • Applicable out of the box

Properties

  • Solubility of liquids, solids and gases
  • Activity coefficients, two-phase partitioning (e.g. LogP)
  • Liquid-liquid, liquid-vapor and liquid-solid equilibria
  • Multi-phase multi-compound equilibria, liquid extraction
  • Vapor pressures, free energy of solvation, Henry's law constant
  • Micelle and membrane partitioning

 

  • pKa, dependence of chemical reaction equilibria on the solvent
  • Energy of transfer to a flat liquid-liquid interface
  • Interfacial tension, adsorption and environmental properties
  • Ionic-Liquid screening
  • Conformer relevance in different mixtures