On the phase equilibrium of Stockmayer fluids.

O H SCALISE

FLUID PHASE EQUILIBRIA

Elsevier

Lugar: Holanda; Año: 2007 vol. 253 p. 171 - 175

0378-3812

Abstract 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 Pad´e 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 μ*2 = 1, 2, 3, and 4. Results agree with computer simulations for dipolar strength of μ*2 = 1; however as strength dipole increases, liquid densities are over-estimated.