This allowed Wertheim to develop the theory in such a way that accurate and simple approximation methods could be applied such as thermodynamic perturbation theory (TPT). When treated at first order in perturbation (TPT1), Wertheim's theory gives a simple and general equation of state which ...
An extension of Wertheim's first-order thermodynamic perturbation theory is proposed to describe the global phase behavior of linear rigid tangent hard sph... FJ Blas,E Sanz,C Vega,... - 《Journal of Chemical Physics》 被引量: 17发表: 2003年 Super-linear scaling of offsprings at criticality...
Thermodynamic Perturbation Theory of Polymerization We derive several extensions of a previously given first‐order perturbation theory (TPT 1) for fluids in which chain and ring polymers can be formed, due ... Wertheim,S M. - 《Journal of Chemical Physics》 被引量: 942发表: 1987年 ...
A molecular thermodynamic model for the calculation of ionic mean activity coefficients in electrolyte aqueous solution is developed by treating the ion - ion electrostatic interactions with mean spherical approximation (MSA) of all particles in the solution and other interactions with perturbation theory,...
Nor is Tout equal to the ambient temperature; Tout will always be higher because of thermodynamic constraints. Unextracted heat in the primary loop fluid is returned to the reservoir through fluid re-injection; if there are low-grade waste heat sources to increase Tout through a downstream heat...
However, we note that this analysis does not provide additional constraining equa- tions to the system (53), but it allows to better understand how the fluid behaves in EC theory. The first thermodynamic law for a spinning fluid can be written as [69,93,96,98] dΠ = P ρ2 dρ + ...
Marshall, B. D. Thermodynamic perturbation theory for associating fluids confined in a one-dimensional pore. J. Chem. Phys. 142, 234906 (2015).Marshall, B.D.; Chapman, W.G., Thermodynamic perturbation theory for associating fluids with small bond angles: Effects of steric hindrance, ring ...
We first made calculations using liquid-state perturbation theory for the fluid state and a self-consistent cell theory for the solid state to determine thermodynamic functions; these results led to ordinary first-order phase transitions between solid/fluid and liquid/gas phases, in agreement with ...
double Yukawa potential function/ A6120N Structure of simple liquids A6550 Thermodynamic properties and entropyUsing the perturbation theory of Weeks et al the first order quantum correction to the free energy of a simple fluid characterised by a double Yukawa potential function has been expressed in...