(Created 2008-07-17.)

MOLECULAR INTERACTIONS AND DYNAMICS | KFK090 |

**Aim**

- One aim with this course is to give the students knowledge about the connection between the intermolecular interactions in a macroscopic system and the static and dynamic properties of the system.
- Another aim is to train the students in the mathematical formalism that is presented in the course about the molecular descriptions of some selected thermodynamic phenomena.

*Knowledge and understanding*

For a passing grade the student must

- Understand the statistical background to the Boltzmann distribution law.
- Be able to describe and classify the different molecular properties responsible for the intermolecular interaction.
- Be able to use the different models presented in the course to describe the following phenomena. Phase transitions, miscibility gaps, azeotropes, partition coefficients between different media, the nonideal behaviour of ionic solutions and the concentration profiles of different ions in the solution outside charged surfaces and aggregates.
- Be able to describe the most important parts of the kinetic theory of gases.
- Be able to give a molecular explanation to the transport phenomena; diffusion, effusion, convective flow and the ion transport in electric fields.

*Skills and abilities*

For a passing grade the student must

- Be able to use, and understand, the different scientific terms that are used in the description of the intermolecular interaction.

*Judgement and approach*

For a passing grade the student must

- know the validity of the different models presented in the course.

**Contents**

The course consists of two parts: Interaction and structure ( approx. 75% of the course) and Molecular dynamics (approx. 25% of the course).

The first part of the course shows how intermolecular interaction gives rise to structure on a microscopic and mesoscopic level as well as giving a qualitative explanation of and an ability to predict macroscopic properties. This presents a molecular explanation to much of phenomenological thermodynamics. This part of the course consists of three main sections: (1) classical electrostatics and intermolecular interactions, (2) statistical thermodynamics with applications to adsorption, liquids and solutions of electrolytes, and (3) molecular simulation methods.

The other part of the course treats molecular motion in gases (kinetic gas theory) and liquids (diffusion) and thereby presents the molecular basis for macroscopic transport processes.

**Literature**

Jönsson, B: Kompendium 1 och 2 i Molekylär växelverkan och dynamik. Biofysikalisk kemi 2007.