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• W3171334403 endingPage "116493" @default.
• W3171334403 startingPage "116493" @default.
• W3171334403 abstract "• A computer simulation-based perturbation theory for Yukawa fluids is developed. • The simulation data for the first three perturbation terms are reported. • The theory provides good agreement with the simulation data reported for pure fluids. • The extension of the theory to mixtures agrees well with the simulations reported. • The theory for monomers in a SAFT-type theory provides good agreement for chains. The first three perturbation terms in the inverse temperature expansion of the Helmholtz free energy of hard-core attractive Yukawa (HCAY) monomer fluids have been determined from computer simulation for several values of the range parameter. The predictions of the resulting perturbation theory for the equation of state and the excess energy are shown to be in excellent agreement with simulation data that are also reported. The theory accurately predicts also the simulation data for the liquid–vapour coexistence densities reported in the literature. Extension of the theory to HCAY binary mixtures is achieved by mapping the mixture to an effective single-component fluid and successfully compared with the simulation data reported in this work. The combination of the theory for the single-component fluid of monomers with a version of the Wertheim thermodynamic perturbation theory (TPT) also provides satisfactory results for HCAY chain fluids." @default.
• W3171334403 created "2021-06-22" @default.
• W3171334403 creator A5067939474 @default.
• W3171334403 creator A5075678769 @default.
• W3171334403 date "2021-09-01" @default.
• W3171334403 modified "2023-09-25" @default.
• W3171334403 title "Thermodynamic properties of hard-core attractive Yukawa fluids: Single-component monomers, binary mixtures and chains" @default.
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• W3171334403 doi "https://doi.org/10.1016/j.molliq.2021.116493" @default.
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