The COSMO-RS program
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The ADF COSMO-RS command line program *crs* is described here,
including all input options.

* Running the COSMO-RS program

* COSMO-RS and COSMO-SAC parameters

  * COSMO-RS general parameters

  * COSMO-RS element specific parameters

  * COSMO-SAC general parameters

  * COSMO-SAC element specific parameters

  * Technical and accuracy parameters

* Compounds

* Temperature

* Pressure

* Molar fractions and mass fraction

* Properties

  * Vapor pressure

  * Boiling point

  * Solvent flash point

  * Partition coefficients (LogP)

  * Activity coefficients solvent and solute

  * Solubility

  * Phase Stability Test

  * Liquid-Liquid Equilibrium (LLE)

  * Binary mixture (VLE/LLE)

  * Ternary mixture (VLE/LLE)

  * Solvents s1 - s2 Composition Line

* Analysis

  * Sigma profile

  * Sigma potential

* Other inputs

  * Pitzer-Debye-Hückel long-range electrostatic correction

  * Elbro Combinatorial term for polymers

  * Reuse generated sigma profile

  * Update generated sigma profile
