Vapour–Liquid Equilibria of Dipolar Two-Centre Lennard-Jones Fluids from a Physically Based Equation of State and Computer Simulations

References

• Saager , B. , Hennenberg , R. and Fischer , J. 1992 . Construction and application of physically based equations of state. Part I. Modification of the BACK equation . Fluid Phase Equilib. , 72 : 41 – 66 .
   Web of Science ®Google Scholar
• Saager , B. and Fischer , J. 1992 . Construction and application of physically based equations of state. Part II. The dipolar and quadrupolar contributions to the Helmholtz energy . Fluid Phase Equilib. , 72 : 67 – 88 .
   Web of Science ®Google Scholar
• Mecke , M. , Müller , A. , Winkelmann , J. and Fischer , J. 1997 . An equation of state for two-center Lennard-Jones fluids . Int. J. Thermophys. , 18 : 683 – 698 . Erratum, Int. J. Thermophys., 19, (1998), 1495
   Web of Science ®Google Scholar
• Kriebel , Ch. , Mecke , M. , Winkelmann , J. , Vrabec , J. and Fischer , J. 1998 . An equation of state for dipolar two-center Lennard-Jones molecules and its application to refrigerants . Fluid Phase Equilib. , 142 : 15 – 32 .
   Web of Science ®Google Scholar
• Boublík , T. and Nezbeda , I. 1986 . P–ν–T behaviour of hard body fluids: theory and experiment . Collect. Czech. Chem. Commun. , 51 : 2301 – 2432 .
   Web of Science ®Google Scholar
• Smith , W. R. 1973 . Specialist Periodical Reports, Statistical Mechanics , Edited by: Singer , K. Vol. 1 , 71 London : Chemical Society .
   Google Scholar
• Mecke , M. , Müller , A. , Winkelmann , J. , Vrabec , J. , Fischer , J. , Span , R. and Wagner , W. 1996 . An accurate van der Waals-type equation of state for Lennard-Jones fluid . Int. J. Thermophys. , 17 : 391 – 404 .
   Web of Science ®Google Scholar
• Lisal , M. and Vacek , V. 1996 . Direct evaluation of vapour–liquid equilibria by molecular dynamics using Gibbs-Duhem integration . Mol. Sim. , 17 : 27 – 39 .
   Web of Science ®Google Scholar
• Saager , B. , Fischer , J. and Neumann , M. 1991 . Reaction field simulations of mono-atomic and diatomic fluids . Mol. Sim. , 6 : 27 – 49 .
   Web of Science ®Google Scholar
• Kriebel , Ch. , Müller , A. , Winkelmann , J. and Fischer , J. 1996 . A hybrid equation of state for Stockmayer pure fluids and mixtures . Fluid Phase Equilib. , 119 : 67 – 80 .
   Web of Science ®Google Scholar
• Kriebel , Ch. and Winkelmann , J. 1997 . Vapour–liquid equilibria for Stockmayer fluids with rigid and polarizable dipoles . Mol. Phys. , 90 : 297 – 301 .
   Web of Science ®Google Scholar
• Müller , A. , Winkelmann , J. and Fischer , J. 1993 . Effect of molecular elongation on the dipolar free energy . J. Chem. Phys. , 99 : 3946 – 3949 .
   Web of Science ®Google Scholar
• Kriebel , Ch. , Müller , A. , Winkelmann , J. and Fischer , J. 1996 . Prediction of thermo-dynamic properties for fluid nitrogen with molecular dynamics simulations . Int. J. Thermophys. , 17 : 1349 – 1363 .
   Web of Science ®Google Scholar
• Müller , A. , Winkelmann , J. and Fischer , J. 1996 . Backone family of equation of state: 1. Nonpolar and polar pure fluids . AIChE J. , 42 : 1116 – 1126 .
   Web of Science ®Google Scholar
• Calero , S. , Wendland , M. and Fischer , J. 1998 . Description of alternative refrigerants with BACKONE equations . Fluid Phase Equilib. , 152 : 1 – 22 .
   Web of Science ®Google Scholar
• Müller , A. , Heene-Medina , D. , Wendland , M. , Vrabec , J. , Winkelmann , J. and Fischer , J. Specific mixing rules: Test and application . 13th Symposium on Thermophysical Properties . pp. 226 Colorado, , USA : Boulder .
   Google Scholar
• Lísal , M. , Budinský , R. and Vacek , V. 1997 . Vapour–liquid equilibria for dipolar two-centre Lennard-Jones fluids by Gibbs-Duhem integration . Fluid Phase Equilib. , 135 : 193 – 207 .
   Web of Science ®Google Scholar
• Lísal , M. , Budinský , R. , Vacek , V. and Aim , K. 1999 . Vapour–liquid equilibria of alternative refrigerants by molecular dynamics simulations . Int. J. of Thermophys. , 20 : 163 – 174 .
   Web of Science ®Google Scholar
• Lotfi , A. , Vrabec , J. and Fischer , J. 1992 . Vapour–liquid equilibria of the Lennard-Jones fluid from the NpT plus test particle . Mol. Phys. , 76 : 1319 – 1333 .
   Web of Science ®Google Scholar
• Kofke , D. A. 1993 . Direct evaluation of phase coexistence by molecular simulation via integration along the saturation line . J. Chem. Phys. , 98 : 4149 – 4162 .
   Web of Science ®Google Scholar
• Panagiotopoulos , A. Z. 1992 . Direct determination of fluid phase equilibria by simulation in the Gibbs ensemble: A review . Mol. Sim. , 9 : 1 – 23 .
   Web of Science ®Google Scholar
• Allen , M. P. and Tildesley , D. J. 1987 . Computer Simulation of Liquids , Oxford : Clarendon Press .
   Google Scholar
• Stroud , A. H. 1971 . Approximate Calculation of Multiple Integrals , Prentice Hall .
   Google Scholar
• Goodwin , A. R. H. and Moldover , M. R. 1990 . Thermophysical properties of gaseous refrigerants from speed of sound measurements. I. Apparatus, model, and results for 1,1,1,2-tetrafluoroethane R134a . J. Chem. Phys. , 93 : 2741 – 2753 .
   Web of Science ®Google Scholar
• Gupta , S. , Yang , J. and Kestner , N. R. 1988 . Computer modelling of liquid propane using three-site potential models . J. Chem. Phys. , 89 : 3733 – 3741 .
   Web of Science ®Google Scholar
• Guissani , Y. and Guillot , B. 1993 . A computer simulation study of the liquid–vapour coexistence curve of water . J. Chem. Phys. , 98 : 8221 – 8235 .
   Web of Science ®Google Scholar
• Vrabec , J. 1996 . “ Vorhersage thermodynamischer Stoffdaten durch molekulare Simulation ” . In VDI-Fortschritt-Berichte , Düsseldorf : VDI-Verlag .
   Google Scholar
• Nezbeda , I. and Kolafa , J. 1995 . The use of control quantities in computer simulation experiments: Application to the Exp-6 potential fluid . Mol. Sim. , 15 : 153 – 163 .
   Web of Science ®Google Scholar