@article {4748,
title = {Structure and scattering in colloidal ferrofluids},
journal = {Physical Review E},
volume = {62},
number = {4},
year = {2000},
note = {ISI Document Delivery No.: 365YATimes Cited: 67Cited Reference Count: 32Part B},
month = {Oct},
pages = {5403-5408},
type = {Article},
abstract = {The structure of a model colloidal ferrofluid, the dipolar hard-sphere fluid, at low temperature has been investigated using Monte Carlo simulations. Extensive particle association into chainlike and ringlike clusters is observed at low density. The structure factors have been calculated, and are analyzed with the aid of simple scaling arguments. We describe the progression of fluid structures from the low-density associated phase, to the high-density liquid phase. This paper may he of help in obtaining an experimental observation of a fluid-fluid transition in colloidal ferrofluids.},
keywords = {DIPOLAR HARD-SPHERES, FLUIDS, LIQUID, LIVING, LOW-DENSITIES, MODEL POLAR CLUSTERS, MONTE-CARLO, orientational order, PHASES, POLYMERS, SYSTEMS},
isbn = {1063-651X},
url = {://000089977000025},
author = {Camp, P. J. and Patey, G. N.}
}
@article {4198,
title = {Gas-liquid coexistence and demixing in systems with highly directional pair potentials},
journal = {Physical Review E},
volume = {57},
number = {5},
year = {1998},
note = {ISI Document Delivery No.: ZP583Times Cited: 19Cited Reference Count: 21Part B},
month = {May},
pages = {5682-5686},
type = {Article},
abstract = {Recent computer simulation studies strongly indicate that fluids of dipolar hard spheres do not display gas-isotropic liquid coexistence. In this paper we discuss a second example that also exhibits this rather unexpected behavior. This is a simple liquid-crystal model that we explore employing Gibbs ensemble Monte Carlo (GEMC) methods. It is shown that the system has clear gas-nematic liquid coexistence, but that the gas-isotropic liquid coexistence line is completely missing from the phase diagram. We attribute this to the highly directional nature of the attractive potential and argue that similar considerations are likely of relevance in the dipolar hard-sphere case as well. We also use GEMC techniques to investigate demixing in binary mixtures of neutral and dipolar hard spheres. For similar mixtures of neutral and charged have spheres, it is known that demixing is essentially condensation of the Coulombic fluid weakly influenced by the background of neutral hard spheres. Therefore, given that dipolar hard spheres do not condense, whether or not the present mixtures demix is an interesting question. In fact, demi?ring is observed and, moreover, the transition temperatures are in reasonable agreement with those predicted by the same integral equation theories that incorrectly predict condensation of the pure dipolar fluid. The critical temperature decreases rapidly with decreasing diameter of the neutral species consistent with the lack of gas-isotropic liquid coexistence for pure dipolar hard spheres. Clearly, for the present model demixing and dipolar condensation are not closely related phenomena as they are in the Coulombic systems. The neutral species appears to reduce the formation of dipolar "chains" or "clusters" that inhibit condensation of the purl dipolar hard-sphere fluid.},
keywords = {COMPUTER-SIMULATION, CRYSTAL MODELS, DIPOLAR HARD-SPHERES, FLUID, GIBBS ENSEMBLE, INSTABILITY, MIXTURE, MONTE-CARLO, orientational order, PHASE},
isbn = {1063-651X},
url = {://000073768000025},
author = {Blair, M. J. and Patey, G. N.}
}
@article {3244,
title = {STRUCTURE OF THE METAL-ELECTROLYTE SOLUTION INTERFACE - THEORETICAL RESULTS FOR SIMPLE-MODELS},
journal = {Journal of Chemical Physics},
volume = {102},
number = {2},
year = {1995},
note = {ISI Document Delivery No.: QA679Times Cited: 19Cited Reference Count: 41},
month = {Jan},
pages = {1024-1033},
type = {Article},
keywords = {CHARGED SURFACES, DIPOLAR HARD-SPHERES, ELECTRICAL DOUBLE-LAYER, HYPERNETTED-CHAIN APPROXIMATION, INFINITE DILUTION, MOLECULAR-SOLVENT MODEL, NONSPHERICAL, NUMERICAL-SOLUTION, PARTICLES, QUANTUM-THEORY, UNIFORM PLANAR WALL},
isbn = {0021-9606},
url = {://A1995QA67900047},
author = {Berard, D. R. and Kinoshita, M. and Ye, X. and Patey, G. N.}
}
@article {2963,
title = {STRUCTURE AND PROPERTIES OF THE METAL-LIQUID INTERFACE},
journal = {Journal of Chemical Physics},
volume = {101},
number = {7},
year = {1994},
note = {ISI Document Delivery No.: PH987Times Cited: 34Cited Reference Count: 36},
month = {Oct},
pages = {6271-6280},
type = {Article},
abstract = {Theoretical results are given for simple dipolar liquids in contact with a metallic slab. The metal is treated by employing a jellium model together with density functional (DF) theory. The liquid structure at the interface is given by the reference hypernetted-chain (RHNC) approximation. The liquid and metal interact electrostatically and the coupled DF/RHNC equations are solved iteratively to obtain electron density distributions and metal-liquid correlation functions which are completely self-consistent. The electron density, liquid structure, and potential. drop across the interface are discussed in detail. It is found that dipoles in contact with the metal prefer to orient perpendicular to the surface with their positive ends out. This is in accord with earlier calculations for dipolar monolayers on metal surfaces. Further from the surface, the dipolar orientations oscillate and the liquid structure rapidly decays to the bulk fluid limit.},
keywords = {AQUEOUS-ELECTROLYTE SOLUTIONS, CAPACITANCE, differential, DIPOLAR HARD-SPHERES, DOUBLE-LAYER, HYPERNETTED-CHAIN APPROXIMATION, IDEALLY POLARIZED ELECTRODE, NONSPHERICAL PARTICLES, NUMERICAL-SOLUTION, ORNSTEIN-ZERNIKE EQUATION, UNIFORM PLANAR WALL},
isbn = {0021-9606},
url = {://A1994PH98700087},
author = {Berard, D. R. and Kinoshita, M. and Ye, X. and Patey, G. N.}
}
@article {7179,
title = {A MEAN FIELD-THEORY FOR FLUIDS OF MULTIPOLAR PARTICLES IN CONTACT WITH A POLARIZABLE WALL},
journal = {Journal of Chemical Physics},
volume = {97},
number = {6},
year = {1992},
note = {ISI Document Delivery No.: JN146Times Cited: 15Cited Reference Count: 27},
month = {Sep},
pages = {4372-4379},
type = {Article},
abstract = {Fluids of multipolar particles in contact with a semi-infinite polarizable hard wall are considered. A mean field theory which reduces the many-body electrostatic wall-solvent interactions to an effective pair potential is described. The effective potential can be employed in conjunction with the reference hypernetted-chain approximation, or some other integral equation theory, to obtain a self-consistent solution for the wall-solvent correlation function and hence the solvent structure at the interface. Explicit results are given for dipolar hard sphere fluids in contact with walls having dielectric constants ranging from 1 to infinity. For this system, it is shown that contributions to the wall-solvent potential from images of other particles are very important and act strongly against the direct "self-image" interaction.},
keywords = {ASYMPTOTIC-BEHAVIOR, CHARGED SURFACES, DIPOLAR HARD-SPHERES, INVARIANT EXPANSION, LIQUID WATER, MOLECULAR-DYNAMICS, NONSPHERICAL PARTICLES, ORNSTEIN-ZERNIKE EQUATION, SPHERICAL MODEL, WATER-LIKE PARTICLES},
isbn = {0021-9606},
url = {://A1992JN14600051},
author = {Berard, D. R. and Patey, G. N.}
}
@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.}
}