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Molecular Thermodynamics Notebook
Week 1 Thermodynamics Revision, with an eye to Statistical Mechanics
Week 2: Phase Equilibria
Week 2 Liquid/Solid Equilibrium in multicomponent systems: defining solubility
Week 2 Exercise 1: Water and Ice equilibria with vapour
Week 2 Exercise: Liquid Vapour Equilibria
Week 3: Intermolecular Potentials
Week 3: The Compressibility Factor
Week 3: Volumetric Behaviour of Pure Fluids from Intermolecular Interactions
Week 3: Volumetric Behaviour of (binary) Mixtures from Intermolecular Interactions
Week 3 Exercise: Second Virial Coefficient from Interatomic potentials.
Week 4: An Introduction to Statistical Mechanics
Week 4: The Microcanonical Ensemble
Week 4: The Canonical Ensemble
Week 4 Exercise: The harmonic oscillator.
Week 5: From Intermolecular Interactions to Dynamics at the Atomistic Scale
Week 5 exercise: Simple MD simulations
MD Example 1 in a system of LJ particles in 2D
Week 5 Example 2 MD in a system of
diatomic molecules
in 2D
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