# KEMS9613 CH4: Conductor-like Screening Model for Real Solvents (COSMO-RS) (JSS31) (2 cr)

**Study level:**

**Grading scale:**

**Language:**

**Responsible organisation:**

**Curriculum periods:**

## Description

Conductor-like Screening Model for Real Solvents (COSMO-RS) combines quantum chemistry with statistical thermodynamics to calculate condensed-phase thermodynamic properties of organic (and inorganic) molecules. COSMO-RS can be used for example in liquid-liquid extraction calculations, to find activity coefficients of compounds in different mixtures or to calculate Henry’s law coefficients. The course includes an introduction to the COSMO-RS theory, but the focus is on learning to calculate the various properties starting from the quantum chemical calculations to create input files for the property calculations.

## Learning outcomes

Students will learn basic principles of Conductor-like Screening Model for Real Solvents (COSMO-RS). After the course, students are able to calculate thermodynamic properties of organic molecules using COSMO-RS theory.

## Description of prerequisites

Bachelor in a science field

## Completion methods

### Method 1

**Description:**

**Evaluation criteria:**

**Parts of the completion methods**

### Participation in teaching (2 cr)

**Type:**

**Grading scale:**

**Evaluation criteria:**

**Language:**

**Study methods:**

Lectures, computer exercises. Mandatory class attendance.