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Integral-equation theories of fluid phase equilibria in simple fluids
- Publication Year :
- 2020
- Publisher :
- Elsevier B.V., 2020.
-
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.
- 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
Subjects
Details
- Language :
- English
- Database :
- OpenAIRE
- Accession number :
- edsair.doi.dedup.....d1c1443f8c1069c1edf2e9d273183470