2003•Journal of Chemical Industry and EngineeringRequires access

EQUATION OF STATE FOR CHAIN-LIKE YUKAWA FLUIDS BASED ON CHEMICAL ASSOCIATION

Liu Honglai

Abstract

A molecular thermodynamic model for the chain-like Yukawa fluid is derived by using statistical mechanics of chemical association. The Helmholtz function contains two terms, a reference term arising from the hard-core Yukawa fluid, and a bonding term due to the bonding of hard-core Yukawa segments. The cavity correlation function is obtained from the Monte Carlo simulation data of compressibility factors of dimer Yukawa fluids. Using this cavity correlation function the equation of state of chain-like Yukawa fluid is expressed analytically.The predicted results of compressibility factors are in excellent agreement with computer simulation of 4-mer and 8-mer chain-like Yukawa fluid for λ =1.8 and λ =3.0.The results are better than that of Wang and Chiew. Meanwhile the equation of state is simpler than SAFT-VR.

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Key concepts: Yukawa potential, Equation of state, Helmholtz free energy, Compressibility, Monte Carlo method, Thermodynamics, Physics, Function (biology)