@article {602,
title = {Liquid-vapor criticality in a fluid of charged hard dumbbells},
journal = {Journal of Chemical Physics},
volume = {119},
number = {15},
year = {2003},
note = {ISI Document Delivery No.: 728EKTimes Cited: 9Cited Reference Count: 55},
month = {Oct},
pages = {7952-7956},
type = {Article},
abstract = {The vapor-liquid criticality of a fluid of charged hard dumbbells is investigated employing grand canonical Monte Carlo simulations and mixed-field finite-size scaling methods. The reduced critical temperature and density obtained are T-c(*)=0.04911+/-0.00003 and rho(c)(*)=0.101+/-0.003, respectively. The critical temperature is very close to that of the restricted primitive model (RPM) for ionic fluids, while the critical density is similar to25\% larger than that of the RPM. The "fits" to the Ising ordering operator distribution are good, and are of similar quality to those found for the RPM with systems of comparable size. However, for the finite-size systems simulated, the constant volume heat capacity, C-V, gives no indication of an Ising-type "divergence" at T-c. This is analogous to the RPM, and serves to demonstrate that this still puzzling behavior is not restricted to that model. (C) 2003 American Institute of Physics.},
keywords = {COEXISTENCE-CURVE, CRITICAL EXPONENT, CRITICAL PARAMETERS, CRITICAL-BEHAVIOR, HEAT-CAPACITY, IONIC BINARY-MIXTURE, LENNARD-JONES FLUID, LONG-RANGE INTERACTIONS, MONTE-CARLO, RESTRICTED PRIMITIVE MODEL, SIMULATIONS},
isbn = {0021-9606},
url = {://000185703100037},
author = {Daub, C. D. and Patey, G. N. and Camp, P. J.}
}
@article {704,
title = {Surfactant-stabilized structures in confined liquids},
journal = {Journal of Chemical Physics},
volume = {119},
number = {16},
year = {2003},
note = {ISI Document Delivery No.: 731BWTimes Cited: 5Cited Reference Count: 48},
month = {Oct},
pages = {8676-8685},
type = {Article},
abstract = {Grand canonical Monte Carlo simulations are used to investigate the effect of surfactant on binary Lennard-Jones mixtures confined between planar, chemically patterned surfaces. Near bulk demixing coexistence, confined binary mixtures form liquid "bridges" joining specifically patterned surface areas. The length of these bridges is restricted by the unfavorable liquid-liquid interfacial tension, and in the present paper we show that this constraint can be significantly reduced by adding surfactant to the system. This leads to very extended liquid bridges and to other structures not found in the simple two-component case. We give a qualitative discussion of the surface-surfactant -induced liquid structures and examine in detail the associated forces acting between the plates. (C) 2003 American Institute of Physics.},
keywords = {CAPILLARY CONDENSATION, DENSITY-FUNCTIONAL METHOD, HYDROPHILIC SURFACES, HYDROPHOBIC SURFACES, INTERACTION FORCES, LAMELLAR PHASES, LENNARD-JONES FLUID, MORPHOLOGICAL WETTING TRANSITIONS, PHASE-TRANSITIONS, SLIT-LIKE PORES},
isbn = {0021-9606},
url = {://000185865500048},
author = {Overduin, S. D. and Patey, G. N.}
}
@article {472,
title = {Forces between chemically patterned plates immersed in binary liquid mixtures},
journal = {Journal of Chemical Physics},
volume = {117},
number = {7},
year = {2002},
note = {ISI Document Delivery No.: 579WWTimes Cited: 9Cited Reference Count: 31},
month = {Aug},
pages = {3391-3397},
type = {Article},
abstract = {Grand canonical Monte Carlo calculations are used to investigate the phase behavior of a binary mixture of Lennard-Jones particles confined between planar, parallel, chemically patterned plates. Attention is focused on the influence of surface-induced transitions on the net force acting between the plates. In addition to the stable and metastable bulk states that play a crucial role for homogeneous surfaces, for certain patterns and surface separations a bridge phase analogous to that recently reported for one-component systems is observed. It is found that bridge phase formation leads to strongly attractive plate-plate forces that are equal in magnitude to those observed for homogeneous surfaces. The significance of our results for the interaction and behavior of nonuniform macroparticles in solution is discussed. (C) 2002 American Institute of Physics.},
keywords = {CHARGED HARD-SPHERES, HYDROPHOBIC SURFACES, LENNARD-JONES FLUID, MACROPARTICLES, MONTE-CARLO, PHASE-TRANSITION, STATISTICAL-MECHANICS, WALLS, WATER},
isbn = {0021-9606},
url = {://000177202300048},
author = {Overduin, S. D. and Patey, G. N.}
}
@article {5028,
title = {Coexistence and criticality of fluids with long-range potentials},
journal = {Journal of Chemical Physics},
volume = {114},
number = {1},
year = {2001},
note = {ISI Document Delivery No.: 388LUTimes Cited: 35Cited Reference Count: 44},
month = {Jan},
pages = {399-408},
type = {Article},
abstract = {Using mixed-field finite-size scaling simulations, we have investigated the liquid-vapor critical behavior of three-dimensional fluids;vith algebraically decaying attractive pair interactions, which vary like -1/r(3+sigma) with sigma = 3, 1, and 0.1. The finite-size scaling analysis was carried out by matching the critical ordering operator distribution, p(L)(x), against the limiting Ising form, i.e., Ising criticality was assumed. When the potential is short-ranged (sigma = 3) the simulation results are entirely consistent with the expected Ising critical behavior. When the potential is long-ranged (sigma = 1, 0.1), however, marked deviations from Ising behavior are observed, particularly in the form of the critical ordering operator distribution, and in the estimated values of beta/nu. The results are consistent with non-Ising criticality which is predicted theoretically in fluid with long-range interactions. Some results from Gibbs ensemble simulations are also provided in order to sketch the shape of the liquid-vapor coexistence envelope. We discuss the relevance of our results to the current issue of criticality in ionic fluids. (C) 2001 American Institute of Physics.},
keywords = {CRITICAL EXPONENTS, CRITICAL-BEHAVIOR, CRITICAL-POINT, CURVE DIAMETER, GIBBS ENSEMBLE, IONIC BINARY MIXTURE, LENNARD-JONES FLUID, MONTE-CARLO, PHASE-TRANSITIONS, RESTRICTED PRIMITIVE MODEL},
isbn = {0021-9606},
url = {://000166182900046},
author = {Camp, P. J. and Patey, G. N.}
}
@article {5086,
title = {Demixing and the force between parallel plates immersed in binary liquid mixtures},
journal = {Journal of Chemical Physics},
volume = {114},
number = {16},
year = {2001},
note = {ISI Document Delivery No.: 420ZQTimes Cited: 16Cited Reference Count: 23},
month = {Apr},
pages = {7182-7188},
type = {Article},
abstract = {Grand Canonical Monte Carlo calculations are used to examine the phase behavior of model binary liquid mixtures confined between parallel plates. The stable and metastable states are identified by direct evaluation of the grand potential. It is shown that demixing transitions can lead to long-range attractive forces acting between the plates, verifying earlier predictions based on approximate integral equation theories. The nature of these transitions and the physical origin of the accompanying attractive forces are discussed. (C) 2001 American Institute of Physics.},
keywords = {CHARGED HARD-SPHERES, HYDROPHOBIC SURFACES, LENNARD-JONES FLUID, MACROPARTICLES, MONTE-CARLO, PHASE-TRANSITION, STATISTICAL-MECHANICS, WALLS},
isbn = {0021-9606},
url = {://000168036900026},
author = {Greberg, H. and Patey, G. N.}
}