화학공학소재연구정보센터
Fluid Phase Equilibria, Vol.253, No.2, 171-175, 2007
On the phase equilibrium Stockmayer fluids
The fluid phase equilibrium of the Stockmayer fluid is investigated using a thermodynamic perturbation theory approach. The reference and the perturbation potential are the Lennard-Jones potential and the dipolar-dipolar interactions, respectively. They are assumed to be represented by the modified Benedict-Webb- Rubin equation of state [J.K. Johnson, J.A. Zollweg, K.E. Gubbins, Mol. Phys. 78 (1993) 591-618] and the Pade approximant [G. Stell, J.C. Rasaiah, H. Narang, Mol. Phys. 27 (1974) 1393-1414], respectively. The asymmetry found in an analogous study [M.E. van Leeuwen, B. Smit, E.M. Hendriks, Mol. Phys. 78 (1993) 271-283] based on the BWR equation of state [J.J. Nicolas, K.E. Gubbins, W.B. Streett, D.J. Tildesley, Mol. Phys. 37 (1979) 1429-1454] is now not observed on the vapour-liquid equilibrium coexistence curves of Stockmayer fluids with dipolar strength of mu *(2) = 1, 2, 3, and 4. Results agree with computer simulations for dipolar strength of mu *(2) = 1; however as strength dipole increases, liquid densities are over-estimated. (C) 2007 Elsevier B.V. All rights reserved.