Thermodynamic properties and vapor–liquid equilibria of associating fluids, Peng–Robinson equation of state coupled with shield-sticky model

2012 ◽  
Vol 330 ◽  
pp. 1-11 ◽  
Author(s):  
Jun Ma ◽  
Jinlong Li ◽  
Changchun He ◽  
Changjun Peng ◽  
Honglai Liu ◽  
...  
Keyword(s):  
Equation Of State ◽  
Thermodynamic Properties ◽  
Associating Fluids ◽  
Vapor Liquid Equilibria ◽  
Robinson Equation ◽  
Vapor Liquid

Thermodynamic Properties of Vapor-Liquid Equilibria from Monte-Carlo Simulation using ab initio Intermolecular Potentials of Systems H2-H2 and F2-F2

2019 ◽  
Vol 233 (4) ◽  
pp. 493-525 ◽  
Author(s):  
Pham Van Tat ◽  
Ulrich K. Deiters
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Equation Of State ◽  
Thermodynamic Properties ◽  
Ab Initio ◽  
Vapor Pressures ◽  
Intermolecular Potentials ◽  
Vapor Liquid Equilibria ◽  
Three Body ◽  
Vapor Liquid

Abstract In this work, we have been carried out GEMC-NVT simulations in the temperature range 18 K–32 K for fluid hydrogen and in range 60 K–140 K for fluid fluorine using four our developed ab initio 5-site intermolecular potentials for dimers H2-H2 and F2-F2, respectively. The thermodynamic properties of vapor-liquid equilibria and the critical points of fluids hydrogen and fluorine were calculated with the obtained densities of coexisting phases and vapor pressures. The simulation results drived from ab initio pair potentials were compared with those from ab initio potential plus three-body Axilrod-Teller potential and experimental data as well as those from Monte Carlo simulation using Lennard-Jones potentials, Deiters equation of state (D1-EOS) and Benedict-Webb-Rubin equation of state (EOS) reported in the literature.

scholarly journals Effects of accuracy of equation of state for pure components on prediction of binary vapor-liquid equilibria.

1982 ◽  
Vol 15 (3) ◽  
pp. 167-172 ◽  
Author(s):  
RYUICHI FUKUZATO ◽  
YASUHIRO TANIGAKI ◽  
NORIAKI SHIKI ◽  
YASUSHI TOMISAKA ◽  
KUNIO ARAI ◽  
...  
Keyword(s):  
Equation Of State ◽  
Vapor Liquid Equilibria ◽  
Vapor Liquid
Sign in / Sign up

Export Citation Format

Share Document