(Created 2011-09-01.)

MOLECULAR DRIVING FORCES 1: THERMODYNAMICS | KFKA05 |

**Aim**

- The aim with the course is to introduce both classical and statistical thermodynamics and to give an understanding of the thermodynamic concepts and theories on the basis of molecular properties.

*Knowledge and understanding*

For a passing grade the student must

- be able to describe and explain central concepts such as entropy, temperature, heat and energy from molecular properties
- be able to formulate and explain the first and second laws of thermodynamics and be able to calculate energy and entropy changes for changes of state.
- be able to explain the statistical basis of the Boltzmann distribution law.
- be able to define and explain the definitions of free energy and chemical potential and be able to use them for equilibrium calculations.
- know the thermodynamics of simple mixtures and be able to predict different colligative properties solution, such as osmotic pressure, freezing point depression and boiling point elevation, from the knowledge of the composition of the studied system.
- be able to formulate and explain the thermodynamic basis for chemical equilibrium

*Skills and abilities*

For a passing grade the student must

- be able to calculate pressure, volume and temperature in ideal gases.
- show ability to, both practically and theoretically, determine properties of phase equilibria for one and two component systems, such as the temperature and pressure dependence of vapour pressure and boling point.
- show ability to determine the relations between equilibrium constant, concentations, pressure and temperature in chemical equilibria, both practically and theoretically.
- be able to formulate and calculate partition equilibria with the help of the Boltzmann distribution law.
- be able to calculate macroscopic properties, such as the internal energy and entropy, of an ideal diatomic gas.
- be able to model some characteristic parameters for mixtures of two substances using the Bragg-Williams approximation. Such parameters could be the Henry law constant, activity coefficents, partition coefficients, osmotic pressure and changes in boiling point.
- be able to use a pocket calculator to solve numerical problems, such as derivation, integration, determination of implicit variables and least square fits of experimental data to a polynom function.
- be able to write simple, but complete, reports of laboratory experiments
- be able to judge the validity of the fundamental thermodynamic models presented, such as ideal gases ideal solutions and the Bragg-Williams model for condensed systems

*Judgement and approach*

For a passing grade the student must

- be able to discuss everyday phenomena, such as heat flow, expansion of gases, super-cooling and phase separation between oil and water, on the basis of sound statistical-thermodynamical reasoning
- be able to judge information in the surrounding world (for example in media) on the basis of thermodynamical reasoning.

**Contents**

- Basic concepts of thermodynamics such as work and heat, entropy, enthalpy, free energy and chemical potential are treated both from a molecular statistical end thermodynamic perspective. Ideal gases are treated exactly with the help of the molecular partition function.
- Calculations on reversible, irreversible and adiabatic processes.
- Quantitative treatment of phase equilibrium in systems of one component.
- Quantitative calculations of the relations between pressure, temperature and composition in non-ideal systems of two components with one or more phases. This includes concepts such as partial molar quantities and activity, calculations of colligative properties and a molecular description of partition equilibria between oil and water phases.
- Thermodynamic and statistic.mechanical treatment of chemical equilibrium.
- The course also discusses the basis of biopolymer (such as proteins and DNA) stability.

**Literature**

Dill, K and Bromberg, S: Molecular driving forces. Statistical thermodynamics in Chemistry, Physics, Biology and Nanoscience. 2nd edition. Garland Publishing Inc 2010. ISBN: 9780815344308.

Complementary material, produced at the Department.

Laboratory handouts/instructions.