Advanced Thermodynamics and Molecular Simulations

This course aims to impart knowledge of advanced thermodynamics concepts and molecular simulation methods. Unlike the standard undergraduate chemical engineering thermodynamics, we will follow a rather physics-based treatment of thermodynamics based on statistical mechanics concepts and molecular theories. The thermodynamics part to be covered in first half of the course would be used in the discussion of molecular simulations to be covered in the second half of the course. At the successful completion of the course, students are expected to be able to
1. Apply thermodynamic concepts in the understanding of chemical engineering problems and their research work
2. Identify the molecular simulation approach best suited for a problem, perform simulation and analyze results.
INTENDED AUDIENCE :First year postgraduate and fourth year undergraduate students in Chemical Engineering, Chemistry, Materials Science, Polymer Science, Nanotechnology, Mechanical EngineeringPREREQUISITES : Basic UG course in thermodynamics or statistical mechanicsINDUSTRIES SUPPORT :Pharmaceutical, FMCG, Chemical, and Oil companies.