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- W2899122506 abstract "ABSTRACTYukawa mixtures are important microscopic models of liquids. In order to obtain their properties, we must have accurate and consistent theories, without the issues arising from the multi-valued pressures and chemical potentials due to inconsistencies in the theory. This work tests two self-consistent integral equation theories (IETs): the modified hypernetted-chain (MHNC) theory and the zero-separation (ZSEP) based theory. These equations, by construction, automatically satisfy the pressure consistency the Gibbs-Duhem relation, as well as the zero-separation theorem. To verify, new Monte-Carlo (MC) simulations are carried out for temperatures 0.7 < T* < 1.1 and densities 0.4 < ρ* < 0.5. The Yukawa interactions uij are symmetric (u11 = u22). The unlike u12 is made weaker than the like-type by a factor α < 1. The structures, exemplified by the radial distribution functions, are accurately reproduced by both MHNC and ZSEP. The internal energies are predicted to within 1% of the MC data, the pressures..." @default.
- W2899122506 created "2018-11-09" @default.
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- W2899122506 date "2018-11-01" @default.
- W2899122506 modified "2023-09-26" @default.
- W2899122506 title "On the structure, property, and phase behaviour of the symmetric Yukawa mixtures: testing of the consistent integral equation theories" @default.
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- W2899122506 doi "https://doi.org/10.1080/00268976.2018.1542165" @default.
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