@article {4944,
title = {Dipole-induced ordering in nematic liquid crystals. II. The elusive holy grail},
journal = {Journal of Chemical Physics},
volume = {113},
number = {8},
year = {2000},
note = {ISI Document Delivery No.: 345AGTimes Cited: 23Cited Reference Count: 47},
month = {Aug},
pages = {3452-3465},
type = {Article},
abstract = {Similar size and shape molecules with different electric multipoles are used to investigate effects of molecular dipole, quadrupole, and polarizability interactions on the average orientational order of solutes in nematic liquid crystals. Solutes are codissolved in the same sample tube so that the orientational ordering among solutes can be directly compared and analyzed using mean-field models. Permanent dipoles have a negligible influence on solute orientational order. Effects from molecular polarizability interactions could not be separated from short-range interactions. However, order parameters predicted from strong, short-range repulsive forces coupled with interactions between the solute quadrupole and the average electric field gradient felt by the solute are consistent with experimental values. For the nematic mixture 55 wt\% ZLI 1132 in EBBA [N-(pethoxybenzylidene)-p{\textquoteright}-n-butylaniline] the contribution to solute ordering from long-range electrostatic interactions is negligible. (C) 2000 American Institute of Physics. [S0021-9606(00)52232-6].},
keywords = {AB-INITIO, ELECTRIC-DIPOLE, HARD ELLIPSOIDS, MEAN TORQUE, MOLECULAR QUADRUPOLE-MOMENTS, MONTE-CARLO SIMULATIONS, NMR-SPECTRA, ORDER, ORIENTATIONAL, SOLUTES, SOLVENTS},
isbn = {0021-9606},
url = {://000088792800063},
author = {Syvitski, R. T. and Burnell, E. E.}
}
@article {4677,
title = {Intermolecular potentials in liquid crystals: Comparison between simulations and NMR experiments},
journal = {International Journal of Modern Physics C},
volume = {10},
number = {2-3},
year = {1999},
note = {ISI Document Delivery No.: 222HPTimes Cited: 12Cited Reference Count: 21Meeting on Recent Developments in the Computer Simulations of Liquid CrystalsJUN 18, 1998ERICE, ITALY},
month = {May},
pages = {403-413},
type = {Proceedings Paper},
abstract = {The anisotropic intermolecular forces responsible for the orientational ordering in liquid crystals are probed by comparing Monte Carlo (MC) simulations with experimental nuclear magnetic resonance (NMR) results for solutes in nematic liquid crystals. In a special liquid crystal mixture where all long-range interactions are assumed to be minimized, the models for short-range interactions which best fit NMR experimental solute order parameters also best fit solute order parameters from MC simulations of hard ellipsoids. This is taken as an indication that in this special mixture the intermolecular potential is dominated by short-range forces. However, for liquid crystals where long-range interactions are important, simulations of hard ellipsoids with point quadrupoles cannot reproduce even the gross effects observed with experimental NMR data.},
keywords = {anisotropic intermolecular force, ELECTRIC-DIPOLE INTERACTIONS, interaction, liquid crystal, MOLECULES, Monte Carlo, MONTE-CARLO SIMULATIONS, NEMATIC SOLVENTS, nuclear magnetic resonance experiment, ORDER, ORIENTATIONAL, quadrupole interaction, SHAPE, SHORT-RANGE, SIMULATION, SIZE, SOLUTES},
isbn = {0129-1831},
url = {://000081779000007},
author = {Syvitski, R. T. and Polson, J. M. and Burnell, E. E.}
}
@article {6968,
title = {THE APPLICATION OF INTEGRAL-EQUATION THEORIES TO FLUIDS OF NONSPHERICAL PARTICLES NEAR A UNIFORM PLANAR WALL},
journal = {Journal of Chemical Physics},
volume = {95},
number = {7},
year = {1991},
note = {ISI Document Delivery No.: GH356Times Cited: 37Cited Reference Count: 39},
month = {Oct},
pages = {5281-5288},
type = {Article},
abstract = {A general reduction of the Ornstein-Zernike equation is given for molecular fluids near a planar wall. This allows integral equation approximations such as the hypernetted-chain or reference hypernetted-chain (RHNC) theories to be solved numerically for such systems. Dipolar hard sphere fluids near a hard wall are considered in detail and RHNC solutions are obtained. The results are compared with previous calculations for curved surfaces. The RHNC result for the asymptotic behavior of the wall-solvent pair correlation function at large separations is derived and compared with expressions given by classical continuum theory and by exact analysis.},
keywords = {AQUEOUS-ELECTROLYTE SOLUTIONS, DIPOLAR HARD-SPHERES, ELECTRICAL DOUBLE-LAYER, HYPERNETTED-CHAIN, INFINITE DILUTION, INVARIANT EXPANSION, MEAN, MOLECULAR-SOLVENT MODEL, ORIENTATIONAL, ORNSTEIN-ZERNIKE EQUATION, SPHERICAL MODEL, STRUCTURE},
isbn = {0021-9606},
url = {://A1991GH35600061},
author = {Berard, D. R. and Patey, G. N.}
}