90
Views
18
CrossRef citations to date
0
Altmetric
Original Articles

Static Dielectric Constant of the Polarizable Stockmayer Fluid. Comparison of the Lattice Summation and Reaction Field Methods

, &
Pages 367-383 | Received 01 Feb 1996, Accepted 01 Aug 1996, Published online: 23 Sep 2006

References

  • Wertheim , M. S. 1973 . “Dielectric constant of non-polar fluids” . Mol. Phys. , 25 : 211
  • Wertheim , M. S. 1973 . “Theory of polar fluids. I” . Mol. Phys. , 26 : 1425
  • Wertheim , M. S. 1977 . “Theory of polar fluids. III” . Mol. Phys. , 34 : 1109
  • Patey , G. N. , Levesque , D. and Weis , J. J. 1982 . “On the theory and computer simulation of dipolar fluids” . Mol. Phys. , 45 : 733
  • Carnie , S. L. and Patey , G. N. 1982 . “Fluids of polarizable hard spheres with dipoles and tetrahe dral quadrupoles. Integral equation results with application to liquid water” . Mol. Phys. , 47 : 1129
  • Perkyns , J. S. , Fries , P. H. and Patey , G. N. 1986 . “The solution of the reference hyper-netted-chain approximation for fluids of hard spheres with dipoles and quadrupoles” . Mol. Phys. , 57 : 529
  • 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
  • Adams , D. J. and McDonald , I. R. 1976 . “Thermodynamic and dielectric properties of polar lattices” . Mol. Phys. , 32 : 931
  • Pollock , E. L. and Alder , B. J. 1980 . “Static dielectric properties of Stockmayer fluids” . Physica A , 120 : 1
  • Neumann , M. 1987 . “Dielectric properties and the convergence of multipolar lattice sums” . Mol. Phys. , 60 : 225
  • Kusalik , P. G. 1992 . “Determination of the transient polarization of a dipolar fluid” . Mol. Phys. , 76 : 337
  • Kusalik , P. G. 1990 . “Computer simulation results for the dielectric properties of a highly polar fluid” . J. Chem. Phys. , 93 : 3520
  • Kusalik , P. G. 1993 . “The distribution of fluctuations of the total dipole moment in polar fluids” . Mol. Phys. , 80 : 225
  • Kusalik , P. G. , Mandy , M. E. and Svishchev , I. M. 1994 . “The dielectric constant of polar fluids and the distribution of the total dipole moment” . J. Chem. Phys. , 100 : 7654
  • Neumann , M. 1985 . “The dielectric constant of water. Computer simulation with the MCY potential” . J. Chem. Phys. , 82 : 5663
  • Neumann , M. 1986 . “Dielectric relaxation in water. Computer simulation with the TIP4P potential” . J. Chem. Phys. , 85 : 1567
  • Alper , H. E. and Levy , R. M. 1989 . “Computer simulation of the dielectric properties of water: studies of the simple point charge and transferable intermolecular potential models” . J. Chem. Phys. , 91 : 1242
  • Ni , X. and Fine , R. M. 1992 . “Determination of the dielectric constant of the water model TIP4P by free energy perturbation and induced polarization” . J. Phys. Chem. , 96 : 2718
  • Kurtovic , Z. , Marchi , M. and Chandler , D. 1993 . “Umbrella sampling molecular dynamics study of the dielectric constant of water” . Mol. Phys. , 78 : 1155
  • Goldman , S. , Joslin , C. and Wasserman , E. A. 1994 . “Theoretical calculation of the static dielectric constant of water at high temperatures and pressures” . J. Phys. Chem. , 98 : 6231
  • Smith , P. E. and van Gunsteren , W. F. 1994 . “Consistent dielectric properties of the simple point charge and extended simple point charge water models at 277 and 300 K” . J. Chem. Phys. , 100 : 3169
  • Neumann , M. and Steinhauser , O. 1980 . “The influence of boundary conditions used in machine simulations on the structure of polar systems” . Mol. Phys. , 39 : 437
  • Neumann , M. 1983 . “Dipole moment fluctuation formulas in computer simulation of polar systems” . Mol. Phys. , 50 : 841
  • Neumann , M. , Steinhauser , O. and Pawley , G. S. 1984 . “Consistent calculation of the static and frequency-dependent dielectric constant in computer simulation” . Mol. Phys. , 52 : 97
  • Neumann , M. 1986 . “Computer simulation and the dielectric constant at finite wavelength” . Mol. Phys. , 57 : 97
  • Smith , E. R. and Wielopolski , P. A. 1987 . “Dielectric constants from computer simulations. Periodic boundary conditions, sample size and behaviour of (k)” . Mol. Phys. , 61 : 1063
  • Gray , C. G. , Sainger , Y. S. , Joslin , C. G. , Cummings , P. T. and Goldman , S. 1986 . “Computer simulation of dipolar fluids. Dependence of the dielectric constant on system size: A comparative study of Ewald sum and reaction field approaches” . J. Chem. Phys. , 85 : 1502
  • Ladd , A. J. C. 1977 . “Monte Carlo simulation of water” . Mol. Phys. , 33 : 1039
  • Ladd , A. J. C. 1978 . “Long-range dipolar interactions in computer simulations of polar liquids” . Mol. Phys. , 36 : 463
  • Pollock , E. L. , Alder , B. J. and Patey , G. 1981 . “Static dielectric properties of polarizable Stockmayer fluids” . Physica , 108A : 14
  • Mooij , G. C. A. M. , De Leeuw , S. W. , Smit , B. and Williams , C. P. 1992 . “Molecular dynamics studies of polar/nonpolar fluid mixtures. II. Mixtures of Stockmayer and polarizable Lennard-Jones fluids” . J. Chem. Phys. , 97 : 5113
  • Sprik , M. 1991 . “Hydrogen bonding and the static dielectric constant in liquid water” . J. Chem. Phys. , 95 : 6762
  • Zhu , S.-B. , Singh , S. and Robinson , G. W. 1991 . “A new flexible/polarizable water model” . J. Chem. Phys. , 95 : 2791
  • Smith , D. E. and Dang , L. X. 1994 . “Computer simulation of NaCl association in polarizable water” . J. Chem. Phys. , 100 : 2791
  • Brodholdt , J. , Sampoli , M. and Vallauri , R. 1995 . “Parametrizing a polarizable intermolecular potential for water” . Mol. Phys. , 86 : 149
  • Barker , J. A. and Watts , R. O. 1973 . “Monte Carlo studies of the dielectric properties of water-like models” . Mol. Phys. , 26 : 789
  • Vesely , F. J. 1977 . “N-particle dynamics of polarizable Stockmayer-type molecules” . J. Comp. Phys. , 24 : 361
  • Allen , M. P. and Tildesley , D. J. 1987 . “Computer Simulations of Liquids” , Oxford : Clarendon .
  • Kriebel , C. and Winkelmann , J. 1996 . “Thermodynamic properties of polarizable Stockmayer fluids: perturbation theory and simulation” . Mol. Phys. , 88 : 559
  • Wei , D. and Patey , G. N. 1992 . “Orientational order in simple dipolar liquids: computer simulation of a ferroelectric nematic phase” . Phys. Rev. Lett. , 68 : 2043
  • Eppenga , R. and Frenkel , D. 1984 . “Monte Carlo study of the isotropic and nematic phases of infinitely thin hard platelets” . Mol. Phys. , 52 : 1303

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.