1. Integral-equation theories of fluid phase equilibria in simple fluids
- Author
-
Carlo Caccamo, Giuseppe Pellicane, and Lloyd L. Lee
- Subjects
010405 organic chemistry ,Chemistry ,General Chemical Engineering ,Isotropy ,General Physics and Astronomy ,02 engineering and technology ,Limits of stability ,01 natural sciences ,Integral equation ,0104 chemical sciences ,Integral-equation theory, Liquid-vapour phase coexistence, Phase diagram, Thermodynamic consistency ,020401 chemical engineering ,Simple (abstract algebra) ,Phase (matter) ,Fluid phase ,Statistical physics ,0204 chemical engineering ,Physical and Theoretical Chemistry ,Pair potential ,Phase diagram - Abstract
We briefly review the application of integral equation theories (IETs) of the fluid state in order to predict fluid phase equilibria of simple fluids. In spite of the relatively simple picture emerging from an isotropic pair potential, IETs have been instrumental in the last few decades to show a quite complex phase behaviour, where multiple critical points are observed in the phase diagram. The application of thermodynamic self-consistency within the theory is shown to dramatically improve the reliability of IETs, allowing them to become a valid and computationally cheap tool, in comparison to computer simulation, to investigate the limits of stability of the fluid phase.
- Published
- 2020