The Boundary Condition in the Gibbs Ensemble Simulation of a Stockmayer Fluid under an Applied Field

References

• Pollock , E. L. and Alder , B. J. 1980 . Static dielectric properties of Stockmayer fluids . Physica A , 102 : 1
   Web of Science ®Google Scholar
• Adams , D. J. and Adams , E. M. 1981 . Static dielectric properties of the Stockmayer fluid from computer simulation . Mol. Phys. , 42 : 907
   Web of Science ®Google Scholar
• Smit , B. , Williams , C. P. , Hendriks , E. M. and de Leeuw , S. W. 1989 . Vapour–liquid equilibria for Stockmayer fluids . Mol. Phys. , 68 : 765
   Web of Science ®Google Scholar
• van Leeuwen , M. E. , Smit , B. and Hendriks , E. M. 1993 . Vapour–liquid equilibria for Stockmayer fluids Computer simulations and perturbation theory . Mol. Phys. , 78 : 271
   Web of Science ®Google Scholar
• Stevens , M. J. and Grest , G. S. 1995 . Phase coexistence of a Stockmayer fluid in an applied field . Phys. Rev. E , 51 : 5976
   PubMed Web of Science ®Google Scholar
• Boda , D. , Winkelmann , J. , Liszi , J. and Szalai , I. 1996 . Vapor–liquid equilibrium of Stockmayer fluids in applied field: Application of the NpTE plus test particle method and perturbation theory . Mol. Phys. , 87 : 601
   Web of Science ®Google Scholar
• Kriebel , C. and Winkelmann , J. 1997 . Vapour–liquid equilibria for Stockmayer fluids with rigid and polarizable dipoles . Mol. Phys. , 90 : 297
   Web of Science ®Google Scholar
• Kiyohara , K. , Gubbins , K. E. and Panagiotopoulos , A. Z. 1997 . Phase coexistence properties of polarizable Stockmayer fluids . J. Chem. Phys. , 106 : 3338
   Web of Science ®Google Scholar
• Petersen , H. G. , de Leeuw , S. W. and Perram , J. W. 1989 . Applied field simulation of Stockmayer fluids . Mol. Phys. , 66 : 637
   Web of Science ®Google Scholar
• Kusalik , P. G. 1994 . Computer simulation study of a highly polar fluid under the influence of static electric fields . Mol. Phys. , 81 : 199
   Web of Science ®Google Scholar
• Neumann , M. 1983 . Dipole moment fluctuation formulas in computer simulations of polar systems . Mol. Phys. , 50 : 841
   Web of Science ®Google Scholar
• Neumann , M. , Steinhauser , O. and Pawley , G. S. Consistent calculation of the static and frequency-dependent dielectric constant in computer simulations . Mol. Phys. , 52 97
   Web of Science ®Google Scholar
• Wei , D. and Patey , G. N. Orientational order in simple dipolar liquids: computer simulation of a ferroelectric nematic phase . Phys. Rev. Lett. , 68 2043 Wei D. Patey G. N., “Ferroelectric liquid-crystal and solid phases formed by strongly interacting dipolar soft spheres”, Phys. Rev. A 1992 46 7783
   PubMed Web of Science ®Google Scholar
• Stockmayer , W. H. 1941 . Second virial coefficients of polar gases . J. Chem. Phys. , 9 : 398
   Web of Science ®Google Scholar
• Panagiotopoulos , A. Z. 1987 . Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble . Mol. Phys. , 61 : 813
   Web of Science ®Google Scholar
• Lorentz , H. A. 1909 . The Theory of Electrons , Teubner .
   Google Scholar
• Fröhlich , H. 1958 . Theory of Dielectrics Oxford
   Google Scholar
• Onsager , L. 1936 . Electric moments of molecules in liquids . J. Am. Chem. Soc. , 58 : 1486
   Web of Science ®Google Scholar
• Barker , J. A. and Watts , R. O. 1973 . Monte Carlo Studies of the dielectric properties of water-like models . Mol. Phys. , 26 : 789
   Web of Science ®Google Scholar
• Adams , D. J. 1980 . Computer simulation of highly polar liquids: The hard sphere plus point dipole potential . Mol. Phys. , 40 : 1261
   Web of Science ®Google Scholar
• de Leeuw , S. W. , Perram , J. W. and Smith , E. R. Simulation of electrostatic systems in periodic boundary conditions. I. Lattice sums and dielectric constants . Proc. R. Soc. Lond., A , 373 27
   Web of Science ®Google Scholar
• de Leeuw , S. W. , Perram , J. W. and Smith , E. R. 1986 . Computer simulation of the static dielectric constant of systems with permanent electric dipoles . Ann. Rev. Phys. Chem. , 37 : 245
   PubMed Web of Science ®Google Scholar
• Garzón , B. , Lago , S. and Vega , C. 1994 . Reaction field simulations of the vapour–liquid equilibria of dipolar fluids. Does the reaction field dielectric constant affect the coexistence properties? . Chem. Phys. Lett. , 231 : 366
   Web of Science ®Google Scholar
• Boresch , S. and Steinhauser , O. 1997 . Presumed versus real artifacts of the Ewald summation technique: The importance of dielectric boundary conditions . Ber. Bunsenges. Phys. Chem. , 101 : 1019
   Google Scholar
• Valleau , J. P. and Whittington , S. G. 1977 . “ A guide to Monte Carlo for statistical mechanics ” . In Statistical Mechanics, A , New York : Plenum .
   Google Scholar