@article {835,
title = {Constant-volume heat capacity in a near-critical fluid from Monte Carlo simulations},
journal = {Journal of Chemical Physics},
volume = {121},
number = {18},
year = {2004},
note = {ISI Document Delivery No.: 866UMTimes Cited: 3Cited Reference Count: 25},
month = {Nov},
pages = {8956-8959},
type = {Article},
abstract = {We consider a near-critical fluid of hard spheres with short-range interactions (similar tor(-6)) and obtain its constant-volume heat capacity C-V by means of Monte Carlo calculations in the canonical ensemble. The question addressed is whether or not the heat capacities of the finite-size systems studied in simulations can provide a reliable indication of nonclassical criticality. For the model fluid considered here this is found to be the case. The heat capacity along the critical isochore shows a peak near the critical temperature, with a system size dependence that is consistent with the known Ising universality class of the model. The relevance of our results to recent attempts to determine the universality class of ionic fluids through calculations of C-V is briefly discussed. (C) 2004 American Institute of Physics.},
keywords = {CRITICAL EXPONENTS, CRITICAL REGION, CRITICAL-BEHAVIOR, EXTENSION, LONG-RANGE INTERACTIONS, POINTS, RESTRICTED PRIMITIVE MODEL},
isbn = {0021-9606},
url = {://000224798900032},
author = {Daub, C. D. and Camp, P. J. and Patey, G. N.}
}
@article {601,
title = {The constant-volume heat capacity of near-critical fluids with long-range interactions: A discussion of different Monte Carlo estimates},
journal = {Journal of Chemical Physics},
volume = {118},
number = {9},
year = {2003},
note = {ISI Document Delivery No.: 646DCTimes Cited: 4Cited Reference Count: 29},
month = {Mar},
pages = {4164-4168},
type = {Article},
abstract = {The constant-volume heat capacities, C-V, of various near-critical fluids with long-range potentials have been obtained using both canonical and grand-canonical Monte Carlo (GCMC) calculations. In the case of the restricted primitive model it is shown that the large discrepancies between previously reported results arise from the use of different simulation ensembles. In order to investigate how well the different ensemble estimates of C-V obtained with small systems can indicate the universality class of the bulk fluid, calculations have been performed for fluids with attractive pair interactions which vary like -1/r(a), with a=6, 4, and 3.1. For a=6, Ising-type criticality is expected, while for a=4 and 3.1 the criticality is mean-field. For each of these models the canonical-ensemble estimates of C-V do not provide unambiguous confirmation of the expected critical behavior, and hence this is not a reliable method for determining the universality class. This is also true of the GCMC estimates of C-V, which appear consistent with Ising-type behavior for all of the systems studied, even for those which are known to exhibit mean-field criticality in the thermodynamic limit. We suggest that these are artifacts associated with finite system size, and we speculate as to why they appear in canonical and GCMC calculations. (C) 2003 American Institute of Physics.},
keywords = {COEXISTENCE, CRITICAL EXPONENTS, CRITICAL-BEHAVIOR, IONIC FLUIDS, RESTRICTED PRIMITIVE MODEL, UNIVERSALITY},
isbn = {0021-9606},
url = {://000181018700030},
author = {Daub, C. D. and Camp, P. J. and Patey, G. N.}
}
@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 {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 {4498,
title = {Ion association in model ionic fluids},
journal = {Physical Review E},
volume = {60},
number = {1},
year = {1999},
note = {ISI Document Delivery No.: 218KCTimes Cited: 20Cited Reference Count: 22},
month = {Jul},
pages = {1063-1066},
type = {Article},
abstract = {Monte Carlo simulations are used to investigate the temperature and pressure (density) dependence of ion association in the restricted primitive model. It is shown that at temperatures below the critical temperature T-c the vapor consists almost exclusively of strongly bound ion pairs at or near contact. Significant ion-pair dissociation begins at temperatures very near T-c. This raises the possibility that compositional fluctuations between strongly bound and free lions influence the critical behavior. We note qualitative similarities between the present results and the Kosterlitz-Thouless transition in the two-dimensional Coulomb gas. [S1063-651X(99)03107-4].},
keywords = {BEHAVIOR, CHARGED, COULOMB GAS, CRITICALITY, CROSSOVER, HARD-SPHERE, LIQUID-VAPOR COEXISTENCE, MONTE-CARLO, PHASE-TRANSITION, RESTRICTED PRIMITIVE MODEL, SIMULATION},
isbn = {1063-651X},
url = {://000081550900132},
author = {Camp, P. J. and Patey, G. N.}
}
@article {3517,
title = {A COMPARISON OF LIQUID-VAPOR COEXISTENCE IN CHARGED HARD-SPHERE AND CHARGED HARD DUMBBELL FLUIDS},
journal = {Journal of Chemical Physics},
volume = {103},
number = {18},
year = {1995},
note = {ISI Document Delivery No.: TC854Times Cited: 48Cited Reference Count: 27},
month = {Nov},
pages = {8299-8301},
type = {Note},
abstract = {Simulations are used to show that fluids of charged hard spheres and charged hard dumbbells have similar liquid-vapor coexistence curves. We conclude that the condensation of ionic fluids is largely driven by the interaction of ion pairs. The relevance of this observation to current theories of ionic condensation is discussed. (C) 1995 American Institute of Physics.},
keywords = {CONSOLUTE, CRITICAL EXPONENT, ELECTROLYTES, IONIC FLUIDS, MONTE-CARLO, POINT, REGION, RESTRICTED PRIMITIVE MODEL},
isbn = {0021-9606},
url = {://A1995TC85400065},
author = {Shelley, J. C. and Patey, G. N.}
}