@article {4895,
	title = {Forces between like-charged walls in an electrolyte solution: A comparison of McMillan-Mayer results for several models},
	journal = {Journal of Chemical Physics},
	volume = {113},
	number = {7},
	year = {2000},
	note = {ISI Document Delivery No.: 344XYTimes Cited: 8Cited Reference Count: 28},
	month = {Aug},
	pages = {2851-2855},
	type = {Article},
	abstract = {The interaction of like-charged walls immersed in aqueous solutions with monovalent counterions is investigated at the McMillan-Mayer (MM) level of description. The net pressure acting between the walls is obtained by applying the anisotropic hypernetted-chain theory. The MM approach requires solvent-averaged ion-ion potentials of mean force as input. Results based on "realistic" models for Na+ and Cl- in water are available in the literature and these are used in the present calculations. The wall-wall interactions obtained can differ dramatically from the primitive model (dielectric continuum solvent) case. For some models attractive wall-wall forces are observed at small separations. The MM theory is found to be rather sensitive to details of the counterion-counterion potential of mean force, and different models for the same counterion can give qualitatively different results. At present it is difficult to evaluate the relative accuracy of the different models that have been proposed. However, the results presented here give at least an idea of the interesting possibilities that lie in the physically realistic range. (C) 2000 American Institute of Physics. [S0021-9606(00)50331-6].},
	keywords = {APPROXIMATION, DOUBLE-LAYER, FORCE, HARD-SPHERES, IMAGE INTERACTIONS, INHOMOGENEOUS COULOMB FLUIDS, MEAN, MOLECULAR-DYNAMICS, PLANAR SURFACES, SODIUM-CHLORIDE, WATER},
	isbn = {0021-9606},
	url = {<Go to ISI>://000088787400034},
	author = {Otto, F. and Patey, G. N.}
}
@article {4128,
	title = {Modeling and structure of mercury-water interfaces},
	journal = {Journal of Chemical Physics},
	volume = {107},
	number = {6},
	year = {1997},
	note = {ISI Document Delivery No.: XP280Times Cited: 37Cited Reference Count: 78},
	month = {Aug},
	pages = {2122-2141},
	type = {Article},
	abstract = {The modeling and nature of the physisorption of water at the metal (Hg)-water interface is explored in this paper. We have evaluated potential models that fit into three general classes that are employed in the literature. These classes are distinguished by the manner in which the isotropic interactions between the metal and the water are modeled: namely, as non-attractive, weakly attractive, and strongly attractive. In the present studies the metal is described by a jellium model. In our model, in addition to the isotropic water potential there is an interaction between the jellium and the water molecules which depends on the orientation of the water molecule with respect to the metal surface. We find that hard potentials without isotropic attractive terms dewet. The density of water near hydrocarbon-like potentials remains close to the bulk value but the interaction isn{\textquoteright}t strong enough to structure the water near the interface, nor are the adsorption energies sufficiently high. The strongly attractive potentials seem to be the most appropriate. For such models we have checked the sensitivity of the results to the parameters in our model including surface corrugation. We find that the structural results are insensitive to the parameters employed suggesting that they not only provide a good classical description of the Hg-water interface but may be readily adaptable to describe the physisorption of water on metals in general. Although we find the layering of water molecules and the pattern of hydrogen bonding near these surfaces, which have been described as ice-like in previous studies, the actual arrangement of the water molecules near these surfaces is distinctly different from the structure of ice. (C) 1997 American Institute of Physics.},
	keywords = {CHARGED ELECTRODES, COMPUTER-SIMULATION, DOUBLE-LAYER, ELECTROLYTE, HALIDE-IONS, INTERFACE, LIQUID WATER, METAL INTERFACE, MOLECULAR-DYNAMICS SIMULATION, SURFACE, TIP4P WATER},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1997XP28000045},
	author = {Shelley, J. C. and Patey, G. N. and Berard, D. R. and Torrie, G. M.}
}
@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 = {<Go to ISI>://A1994PH98700087},
	author = {Berard, D. R. and Kinoshita, M. and Ye, X. and Patey, G. N.}
}
@article {6959,
	title = {CONTINUUM ELECTROSTATIC INTERACTIONS BETWEEN PLANAR LATTICES OF DIPOLES AND THE POSSIBLE RELEVANCE TO THE HYDRATION FORCE},
	journal = {Physical Review A},
	volume = {43},
	number = {6},
	year = {1991},
	note = {ISI Document Delivery No.: FD045Times Cited: 11Cited Reference Count: 37},
	month = {Mar},
	pages = {2953-2962},
	type = {Article},
	abstract = {The electrostatic interaction between two planar dipolar lattices in dielectric continua is investigated. If there are no dielectric images, the pressure is equally likely to be attractive or repulsive, depending upon the relative lateral displacement of the two lattices. In addition to perfect dipolar lattices, we consider the effects of real dipoles, of disorder, and of finite-sized domains. When the surfaces constitute the boundary between dielectric media, and when there are no correlations between the two surfaces, then there occurs a strong exponentially decaying repulsion due to the interaction between a lattice and its dielectric images. The relevance of this repulsion to the hydration force is discussed, and an experimental test that should discriminate between different theories for that force is proposed.},
	keywords = {BILAYER SYSTEMS, DEPENDENCE, DOUBLE-LAYER, ELECTROLYTE-SOLUTIONS, MICA, MOBILE, MODEL, ORIENTABLE DIPOLES, polarization, SURFACES, WATER},
	isbn = {1050-2947},
	url = {<Go to ISI>://A1991FD04500037},
	author = {Attard, P. and Patey, G. N.}
}
