- UCAS course code
- H801
- UCAS institution code
- M20
Master of Engineering (MEng)
MEng Chemical Engineering
A chemical engineering master's degree from Manchester opens up a world of opportunity.
- Typical A-level offer: AAA including specific subjects
- Typical contextual A-level offer: AAB including specific subjects
- Refugee/care-experienced offer: ABB including specific subjects
- Typical International Baccalaureate offer: 36 points overall with 6,6,6 at HL, including specific requirements
Course unit details:
Chemical Engineering Molecular Simulation
Unit code | CHEN40232 |
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Credit rating | 15 |
Unit level | Level 4 |
Teaching period(s) | Semester 2 |
Available as a free choice unit? | No |
Overview
Modelling at a molecular level is a fast-growing area in modern chemical engineering. It allows the prediction of accurate material information where no or highly limited experimental data is available and also provides a detailed insight into the mechanisms of complex chemical reactions and the phase behaviour of complex fluids. The unit will provide an introduction to quantum mechanics, statistical mechanics and Molecular Dynamics, giving the underlying theory and providing hands-on practical experience.
Aims
The unit aims to: Provide a survey of the modelling techniques used within chemical engineering to predict and control the properties of matter and to give the necessary theoretical background to these techniques. The modelling will include Quantum Mechanics and Molecular Dynamics and will be backed up by an account of relevant aspects of Statistical Mechanics. Hands-on modelling experience will be provided for all these techniques.
Learning outcomes
On successful completion of CHEN40232, a student will be able to… (1) Assess force fields, thermostats, and numerical integration algorithms to select optimal choices for molecular dynamics simulations. (2) Appreciate the tools of Molecular Modelling and understand the various types of modelling and select an appropriate technique to solve a problem. (3) Use Matlab to create and appraise molecular dynamics code and apply to problems of chemical engineering interest. (4) Employ the principles of quantum mechanics to calculate the structure of molecules and chemical reaction mechanisms. (5) Solve fundamental statistical mechanical problems to allow prediction of system thermodynamics. (6) Examine intermolecular forces and statistical mechanics to explain the phase behaviour and material properties of fluids.
Assessment methods
Assessment task | Weighting |
Statistical mechanics assessment | 34% |
Quantum Mechanics assessment | 33% |
Molecular dynamics assessment | 33% |
Study hours
Scheduled activity hours | |
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Work based learning | 36 |
Independent study hours | |
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Independent study | 114 |
Teaching staff
Staff member | Role |
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Samuel De Visser | Unit coordinator |
Andrew Masters | Unit coordinator |