@article {4896,
	title = {Forces between like-charged walls in electrolyte solution: Molecular solvent effects at the McMillan-Mayer level},
	journal = {Journal of Chemical Physics},
	volume = {112},
	number = {20},
	year = {2000},
	note = {ISI Document Delivery No.: 310WCTimes Cited: 13Cited Reference Count: 36},
	month = {May},
	pages = {8939-8949},
	type = {Article},
	abstract = {The force between two like-charged walls immersed in electrolyte solution is obtained for models that include solvent effects at the McMillan-Mayer (MM) level. In these models the solvent is not represented by discrete particles but exerts its influence through solvent-averaged ion-ion potentials of mean force which serve as effective potentials. This simplification allows the numerical solution of accurate anisotropic integral equation theories, and the anisotropic hypernetted-chain (AHNC) approximation is used in the present calculations. It is shown that the MM results may differ significantly from those of the primitive model (PM) which treats the solvent as a dielectric continuum. Most interestingly, we find that at the MM level the force between like-charged walls at small separations and with realistic surface charges can be attractive for monovalent counterions. This attraction is due to solvent effects on the effective counterion-counterion interaction and not to the correlated charge fluctuations that give rise to the attractions found for divalent counterions in the PM case. The possible relevance of our observations in the interpretation of experimental force measurements is briefly discussed. (C) 2000 American Institute of Physics. [S0021-9606(00)51720-6].},
	keywords = {AQUEOUS-ELECTROLYTES, DOUBLE-LAYERS, electric, HARD-SPHERES, IMAGE, INFINITE DILUTION, INHOMOGENEOUS COULOMB FLUIDS, interactions, ION-ION CORRELATIONS, MICA SURFACES, MONTE-CARLO SIMULATIONS, PLANAR SURFACES},
	isbn = {0021-9606},
	url = {<Go to ISI>://000086851200025},
	author = {Otto, F. 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 = {<Go to ISI>://A1995QA67900047},
	author = {Berard, D. R. and Kinoshita, M. and Ye, X. and Patey, G. N.}
}
@article {7131,
	title = {ACTIVITY-COEFFICIENTS OF MODEL AQUEOUS-ELECTROLYTE SOLUTIONS - SENSITIVITY TO THE SHORT-RANGE PART OF THE INTERIONIC POTENTIAL},
	journal = {Journal of Chemical Physics},
	volume = {94},
	number = {10},
	year = {1991},
	note = {ISI Document Delivery No.: FL001Times Cited: 7Cited Reference Count: 12},
	month = {May},
	pages = {6782-6783},
	type = {Article},
	abstract = {Activity coefficients are calculated for model aqueous alkali halide solutions. The theoretical results are found to be very sensitive to details of the interionic potential employed and good agreement with experiment is obtained by simply superimposing an additional r-n repulsive interaction upon charged hard sphere potentials. The "best fits" to the experimental data involve interesting changes in the solution structure. In particular, our results suggest that the strong deviations from limiting behavior observed for some alkali halide solutions (e.g., NaCl) are closely associated with structures involving solvent separated as opposed to contact ion pairs.},
	keywords = {EXTENDED RISM EQUATION, FORCE, INFINITE DILUTION, MEAN, MOLECULAR THEORY, SOLVENT},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1991FL00100046},
	author = {Ursenbach, C. P. and Wei, D. Q. 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 = {<Go to ISI>://A1991GH35600061},
	author = {Berard, D. R. and Patey, G. N.}
}
@article {7122,
	title = {MOLECULAR-SOLVENT MODELS OF ELECTRICAL DOUBLE-LAYERS},
	journal = {Electrochimica Acta},
	volume = {36},
	number = {11-12},
	year = {1991},
	note = {ISI Document Delivery No.: GJ354Times Cited: 1Cited Reference Count: 17INTERDISCIPLINARY CONF ON ELECTRIFIED INTERFACESSEP 16-21, 1990ASILOMAR, CAAMER PHYS SOC, INT SOC ELECTROCHEM, IBM, US DOE, NATL SCI FDN, USN, OFF NAVAL RES},
	pages = {1669-1675},
	type = {Proceedings Paper},
	abstract = {This paper summarizes some recent work directed towards the construction of a wholly molecular theory of the solution side of an electrical double layer using modern liquid state theory. The influence of surface charge on the solvent restructuring near the surface and the consequences of this for the ionic distributions in the double layer are discussed and related to the role of the continuum solvent description embodied in Gouy-Chapman theory.},
	keywords = {APPROXIMATION, AQUEOUS-ELECTROLYTE SOLUTIONS, DOUBLE LAYER THEORY, INFINITE DILUTION, MOLECULAR MODELS, STATISTICAL MECHANICS, SURFACE, WATER},
	isbn = {0013-4686},
	url = {<Go to ISI>://A1991GJ35400004},
	author = {Torrie, G. M. and Patey, G. N.}
}
