COSMO-RS Manual 2026.1
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AMS COSMO-RS
============

AMS COSMO-RS (COnductor like Screening MOdel for Realistic Solvents)
is a program for calculating thermodynamic properties of (mixed)
fluids.

**Table of Contents:**

* General

  * Introduction

  * What's new in COSMO-RS 2026.1

  * What's new in COSMO-RS 2025.1

  * What's new in COSMO-RS 2024.1

  * What's new in COSMO-RS 2023.1

  * What's new in COSMO-RS 2022.1

  * What's new in COSMO-RS 2021.1

  * What's new in COSMO-RS 2020.1

* COSMO-RS, COSMO-SAC, UNIFAC

  * COSMO-RS theory

  * COSMO-SAC 2013-ADF, 2016-ADF, DHB-ADF

  * UNIFAC theory

  * Calculation of properties

* COSMO result files

  * ADF COSMO calculation

  * ADFCRS-2018 Database

  * ADFCRS-POLYMERS-2019 Database

  * FastSigma: a QSPR method to estimate COSMO sigma-profiles

  * MOPAC COSMO calculation

* The COSMO-RS program

  * Running the COSMO-RS program

  * COSMO-RS and COSMO-SAC parameters

  * Compounds

  * Temperature

  * Pressure

  * Molar fractions and mass fraction

  * Properties

  * Analysis

  * Other inputs

* Polymers with COSMO-RS(-SAC)

  * Additional properties/units for polymer systems

  * Modified combinatorial term

  * General application guidelines/warnings

  * Downloading the ADFCRS-POLYMER-2019 database

  * Tutorial on polymer calculations

* Pitzer-Debye-Hückel long-range electrostatic correction

  * Mixing rules and required property inputs for the PDH term

  * Derivation of the PDH term for general mixtures

  * Tutorial on using the PDH correction

* The UNIFAC program

  * Compound Input

  * Program Input

  * Templates

* Pure compound property prediction

  * Introduction

  * Available properties

  * Running the Property Prediction program

  * Index of property keys

  * General warnings

  * Equations for temperature-dependent properties

  * References

* Solvent Optimization

  * Introduction

  * Problem types

  * Running the Solvent Optimization program

  * Examples

  * Guidelines for difficult problems

  * Differences from standard implementations

* Python Scripting with COSMO-RS

  * pyCRS: a python wrapper for thermodynamic calculation

  * Python scripting for COSMO-RS with PLAMS

  * Examples for pyCRS/PLAMS

* Command Line Scripting with COSMO-RS

  * AMSprep: construct an ADF COSMO results file

  * CRSprep: generate (multiple) COSMO-RS jobs

  * AMSreport: generate report

  * KF utilities for COSMO-RS

  * Scripting Examples

* Required Citations

  * General References

  * Solvent Optimizations

  * External programs and Libraries

* Keywords

* FAQ
