Molecular Simulation 5 (U04252)

? Credit Points : 10 ? SCQF Level : 11 ? Acronym : EEL-5-CHMSIM

This course is an introduction to molecular simulation methods and their applications in Chemical Engineering, intended to equip MEng graduates with sufficient understanding to work with molecular simulation specialists in addressing practical chemical engineering problems, or as a basis for research activity in this area.

? Keywords : Molecular simulation

Entry Requirements

? Pre-requisites : Heat, Mass and Momentum Transfer 3 and Chemical Engineering Thermodynamics 3

Subject Areas

Home subject area

Chemical, (School of Engineering and Electronics, Schedule M)

Delivery Information

? Normal year taken : 5th year

? Delivery Period : Semester 2 (Blocks 3-4)

? Contact Teaching Time : 3 hour(s) per week for 11 weeks

All of the following classes

Type	Day	Start	End	Area
Lecture	Tuesday	10:00	10:50	KB

Summary of Intended Learning Outcomes

Upon completion of the course, students should be able to:
? Understand the underlying concepts of Monte Carlo and molecular dynamics simulation methods, including relevant statistical mechanical theory
? Appreciate the capabilities of different simulation methods and, where alternative approaches exist to a particular problem, understand the strengths and weaknesses of the approaches.
? Formulate chemical engineering problems in a form in which they are amenable to solution by molecular simulation methods
? Apply molecular simulation methods to chemical engineering problems using appropriate software