Course syllabus

Molekylär växelverkan och dynamik
Molecular Interactions and Dynamics

KFK090, 7,5 credits, G2 (First Cycle)

Valid for: 2013/14
Decided by: Education Board C
Date of Decision: 2013-04-15

General Information

Main field: Technology.
Compulsory for: K2
Elective for: N4-nbm, N4-m, Pi4, Pi4-bs, Pi4-bm
Language of instruction: The course will be given in Swedish

Aim

The 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.

Learning outcomes

Knowledge and understanding
For a passing grade the student must

• 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.
• 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.
• be able to describe the mot important properties of liquid water and water as a solvent.
• show fundamental knowledge of the most important physics of polymers, such as random flights, persistence length, elasticity, collapse and excluded volume.

Competences and skills
For a passing grade the student must

 

• 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 calculate the different contributions to the interaction between two molecules, such as the mono and dipol moments, and dispersion forces.
• be able to estimate some phenomena using simple cell-models, such as phase transitions, destillation, miscibility gaps and adsorption on surfaces.
• be able to estimate, both practically and theoretically, the different contributions to solibility, such as Born solvation and ion-ion interaction according to the Debye-Hückel equation.
• be able to use the simplest models of polymer structure and dynamics.
• be able to write simple, but complete, reports of laboratory experiments.

 

Judgement and approach
For a passing grade the student must

• be able to discuss everyday phenomena, such as phase separation between oil and water, on the basis of sound statistical-thermodynamical reasoning
• be able to discuss biologically relevant problems on the basis of the fundamental models that are presented in the course.
• be able to judge the validity of the models that are presented in the course.

Contents

 

The course shows how intermolecular interaction gives rise to structure on a microscopic and mesoscopic level and how it gives a qualitative explanation of and an ability to predict macroscopic properties. This presents a molecular explanation to much of phenomenological thermodynamics and macroscopic transport processes. It also gives the tools needed to predict how manipulations on the molecular level affect the microscopic properties of a material. The course consists of classical electrostatics and intermolecular interactions, and statistical thermodynamics with applications to adsorption, liquids and solutions of electrolytes.

The properties of polymers are specifically treated. Two full lectures are used to cover the properties of liquid water and its unique importance for the solvation of and the interactions between both large and small molecules.

The course also treats molecular motion in liquids (diffusion) and thereby presents the molecular basis for macroscopic transport processes and reaction kinetics of catalysts.

 

Examination details

Grading scale: TH
Assessment: The final grade is based on a written exam in the end of the course. Laboratory practicals must also be completed.

Parts
Code: 0114. Name: Molecular Interactions and Dynamics.
Credits: 7,5. Grading scale: TH.
Code: 0214. Name: Laboratory Experiments.
Credits: 0. Grading scale: UG. Assessment: The results of the tasks are presented either as a written report or orally at the end of the exercise. Contents: There are three "wet" laboratory tasks and one demonstrative exercise in computer simulation.

Admission

Required prior knowledge: FMAA01 Calculus in One Variable, FMA420 Linear Algebra, KFK08 Thermodynamics.
The number of participants is limited to: No
The course overlaps following course/s: KFKA05, KFKF01

Reading list

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

Contact and other information

Course coordinator: Kristofer Modig, kristofer.modig@bpc.lu.se
Course homepage: http://www.cmps.lu.se/bpc/teaching/