Molecular Modelling of Fluids - CENG97037
The goal of this course is to provide students with the background and skills needed to appreciate and understand the application of molecular theory and simulation in modelling fluids and fluid mixtures. Some of the theoretical fundamentals (statistical thermodynamics, distribution functions, perturbation theories) and modern computational methods (Monte Carlo and molecular dynamics) will be developed in lectures and applied in a number of case studies to be carried out during the timetabled sessions.
The specific objectives of the course include:
• An understanding of the basis of statistical thermodynamics as applied
to fluid systems.
• The development of the statistical associating fluid theory (SAFT) as an
advanced molecular-based equation of state for the thermodynamic properties of complex fluid mixtures.
• An understanding of the modelling of fluid phase equilibria of mixtures
with equations of state.
• An exploration of the role of modern molecular-simulation techniques in
modelling the thermodynamic, structural and dynamical properties of fluids
Lecturers: Prof. Amparo Galindo (AG); Dr. Andrew J. Haslam (AJH); Prof. Erich A. Müller (EAM).
Advanced Chemical Engineering Practice Research Project - CENG97005
To allow students to gain an opportunity of working at an in-depth level on an industrial or scientific problem area.
Knowledge Laboratory - CENG95006
The aim of the module is for students to develop a mind-set for problem solving through experiential and practical based learning in order to tackle the challenges they may face as chemical engineers in industry.