Performance evaluation of third-order thermodynamic perturbation theory and comparison with existing liquid state theories

Article Abstract:

The performance of the third-order thermodynamic perturbation theory (TPT) is evaluated by using the third TPT for calculating thermodynamic properties such as compressibility factor, internal energy, excess chemical potential, gas-liquid coexistence curve and critical properties of several fluids. The results have shown this third-order version of the TPT is reliable for varying model fluids.

Thermodynamics, Compressibility

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Further test of third order + second order perturbation DFT approach: Hard core repulsive Yukawa fluid subjected to diverse external fields

Article Abstract:

Grand canonical Monte Carlo simulation is used to investigate density profiles of hard-core repulsive Yukawa (HCRY) model fluid under the influence of various external fields. The aim is to provide exact data for purely repulsive interaction potential against which the validity of a third order + second-order perturbation DFT approach could be tested.

Density functionals, Density functional theory, Monte Carlo method, Monte Carlo methods

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