Global optimization algorithms to compute thermodynamic equilibria in large complex systems with performance considerations

Several global optimization methods are reviewed that attempt to ensure that the integral Gibbs energy of a closed isothermal isobaric system is a global minimum to satisfy the necessary and sufficient conditions for thermodynamic equilibrium. In particular, the integral Gibbs energy function of a multi-component system containing non-ideal phases may be highly non-linear and non-convex, which makes finding a global minimum a challenge....