calculate some thermodynamic properties of molten polymers including specific volume and isothermal compressibility (s.m. hoseini, physical chemistry & electrochemistry, 2 (2014) 56-65). this work extended that eos to predict the volumetric properties of some molten ethylene copolymers including ethylene/1-octene, ethylene/1-butene (xethylene equal to 0.8543 and 0.563), ethylene/propene. the ab...

in this study, a temperature-dependent of the dispersion coefficients is calculated from equation state.the lennard-jones lj (12-6-3) effective pair potential function and simple thermodynamic argumentwith the input pvt data of liquid metals are used to calculate the dispersion coefficients. the dispersioncoefficients ( , , ) 3 6 12 c c c are found to be a linear function of 1/t1+α , where t is...

We propose a predictive Density Functional Theory (DFT) for the calculation of solvation free energies. Our approach is based on Helmholtz free-energy functional that consistent with perturbed-chain SAFT (PC-SAFT) equation state. This allows coarse-grained description solvent, an inhomogeneous density PC-SAFT segments. The solute, other hand, described in full detail by atomistic Lennard-Jones ...

A statistical associating fluid theory for potential of variable range has been recently developed to model dipolar fluids (SAFT-VR+D) [Zhao and McCabe, J. Chem. Phys. 2006, 125, 104504]. The SAFT-VR+D equation explicitly accounts for dipolar interactions and their effect on the thermodynamics and structure of a fluid by using the generalized mean spherical approximation (GMSA) to describe a re...

in this work an analytical equation of state has been employed to calculate the pvt properties ofternary refrigerant mixtures. the theoretical eos is that of ihm, song and mason, which is based onstatistical-mechanical perturbation theory, and the two constants are enthalpy of vaporization δhvapand molar density ρnb, both at the normal boiling temperature. the following three temperaturedepende...

High-pressure phase equilibrium and volumetric properties of highly asymmetric mixtures related to reservoir fluids are critical the development high-pressure high-temperature (HPHT) reservoirs. However, there is a lack relevant data accurate modeling tools. In this work, we prepared pseudo-binary methane (CH4) + stock tank oil (STO) systematically measured their densities at temperatures from ...

using the lennard-jones (12-6) potential, a new equation of state is obtained that can predict properties of both gases and liquids relatively well. this equation of state is given as (z-a)v2=(a/v2)-b, where z is the compressibility factor, a and b are constants, and a is an adjustable parameter that depends on the temperature, volume and the nature of the fluid, and its expressions depends upo...