Integral-equation theories of fluid phase equilibria in simple fluids
| Autor: | Carlo Caccamo, Giuseppe Pellicane, Lloyd L. Lee |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Předmět: |
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 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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