Reliable computation of phase stability and equilibrium using interval methods

摘要

The reliable calculation of phase equilibrium is a critical issue in the simulation, optimisation and design of a wide variety of industrial processes, especially those involving separation operations such as distillation and extraction. However, even when accurate models of the necessary thermodynamic properties are available, it is often very difficult to actually solve the phase equilibrium problem reliably. In this paper, we will discuss a deterministic method, based on interval analysis, that provides a mathematical and computational guarantee that the phase equilibrium problem has been correctly solved. Recent results using such an approach are highlighted, and cases are considered in which published computational results are shown to be incorrect.