@article {2418, title = {Vapour-liquid phase transition of dipolar particles}, journal = {Molecular Physics}, volume = {107}, number = {4-6}, year = {2009}, note = {ISI Document Delivery No.: 448EATimes Cited: 5Cited Reference Count: 54Ganzenmueller, Georg Patey, G. N. Camp, Philip J.}, pages = {403-413}, type = {Article}, abstract = {The question of whether a vapour-liquid phase transition exists in systems of particles with purely dipolar interactions is examined. New Monte Carlo simulation results are presented for the dipolar Yukawa hard sphere (DYHS) fluid with very small values of the attractive Yukawa well depth, almost two orders of magnitude smaller than the characteristic dipolar interaction energy. In this way, it is possible to approach the dipolar hard sphere (DHS) limit. It is found that phase separation is not observable beyond a critical value of the Yukawa energy parameter, even though in thermodynamic and structural terms, the DYHS and DHS systems are very similar. It is suggested that either some very subtle physics distinguishes the DYHS and DHS systems, or the observation of a phase transition in DHSs is precluded by finite-size effects.}, keywords = {BEHAVIOR, COEXISTENCE, dipolar hard spheres, FERROFLUIDS, FLUIDS, HARD-SPHERES, Monte Carlo simulation, MONTE-CARLO, ORDER, SIMULATION, SYSTEM, THERMODYNAMICS, vapour-liquid transition}, isbn = {0026-8976}, url = {://000266244700014}, author = {Ganzenmuller, G. and Patey, G. N. and Camp, P. J.} } @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 {4497, title = {Ion association and condensation in primitive models of electrolyte solutions}, journal = {Journal of Chemical Physics}, volume = {111}, number = {19}, year = {1999}, note = {ISI Document Delivery No.: 251GQTimes Cited: 34Cited Reference Count: 32}, month = {Nov}, pages = {9000-9008}, type = {Article}, abstract = {{Monte Carlo simulations have been used to investigate condensation and ion association in primitive models of electrolyte solutions. We have examined models in which the ions have equal diameter, the cation charge is +Zq, and the anion charge is -q, with Z=1}, keywords = {BINARY MIXTURE, CHARGED HARD-SPHERE, COEXISTENCE, CONSOLUTE POINT, CRITICAL EXPONENT, CROSSOVER, FLUIDS, FREE-ENERGY, MONTE-CARLO, PHASE-EQUILIBRIA}, isbn = {0021-9606}, url = {://000083437400030}, author = {Camp, P. J. and Patey, G. N.} }