Summary
Thermodynamic phase behavior is interesting and useful
Obvious methods for evaluating phase behavior by simulation are too approximate
Rigorous thermodynamic method is tedious
Gibbs ensemble revolutionized methodology
- two coexisting phases without an interface
Gibbs-Duhem integration provides an alternative to use in situations where GE fails
- dense and complex fluids
- solids
Semigrand ensemble is useful formalism for mixtures
GDI can be extended in many ways