Phase coexistence and critical point determination in polydisperse fluids
Phase equilibria of fluids with variable size polydispersity have been investigated by means of Monte Carlo simulations. In the models, spherical particles of different additive diameters interact through Lennard-Jones and hard sphere Yukawa intermolecular potentials and the underlying distribution...
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Published in | Molecular physics Vol. 99; no. 3; pp. 167 - 173 |
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Main Authors | , |
Format | Journal Article |
Language | English |
Published |
Taylor & Francis Group
10.02.2001
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Abstract | Phase equilibria of fluids with variable size polydispersity have been investigated by means of Monte Carlo simulations. In the models, spherical particles of different additive diameters interact through Lennard-Jones and hard sphere Yukawa intermolecular potentials and the underlying distribution of particle sizes is a Gaussian. The Gibbs ensemble Monte Carlo technique has been applied to determine the phase coexistence far below the critical temperature. Critical points have been estimated by finite-size scaling analysis using histogram reweighting for NpT simulation data. In order to achieve efficient sampling in the vicinity of the critical points, the hyper-parallel tempering scheme has been utilized. |
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AbstractList | Phase equilibria of fluids with variable size polydispersity have been investigated by means of Monte Carlo simulations. In the models, spherical particles of different additive diameters interact through Lennard-Jones and hard sphere Yukawa intermolecular potentials and the underlying distribution of particle sizes is a Gaussian. The Gibbs ensemble Monte Carlo technique has been applied to determine the phase coexistence far below the critical temperature. Critical points have been estimated by finite-size scaling analysis using histogram reweighting for NpT simulation data. In order to achieve efficient sampling in the vicinity of the critical points, the hyper-parallel tempering scheme has been utilized. |
Author | KRISTÓF, TAMÁS LISZI, JÁNOS |
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CitedBy_id | crossref_primary_10_1007_s11631_023_00603_z crossref_primary_10_1063_1_1788632 crossref_primary_10_1021_acs_jpcb_3c00346 crossref_primary_10_1103_PhysRevB_72_165416 crossref_primary_10_1063_1_2208358 crossref_primary_10_1103_PhysRevE_72_041105 crossref_primary_10_1063_1_1464829 crossref_primary_10_1103_PhysRevE_71_031109 crossref_primary_10_1021_acs_jpcb_5b02329 crossref_primary_10_1063_1_4934992 crossref_primary_10_1063_1_4755959 crossref_primary_10_1021_acs_macromol_8b00604 crossref_primary_10_1103_PhysRevB_76_195409 crossref_primary_10_1209_epl_i2004_10064_2 crossref_primary_10_1063_1_1397331 |
Cites_doi | 10.1080/00268978700101491 10.1063/1.478636 10.1063/1.457756 10.1103/PhysRevLett.63.1195 10.1103/PhysRevE.59.6937 10.1007/BF01293604 10.1080/00268978400101951 10.1103/PhysRev.185.832 10.1063/1.439328 10.1063/1.480282 10.1063/1.443634 10.1103/PhysRevLett.68.9 10.1063/1.444274 10.1080/00268979200102111 10.1016/0378-4371(96)00213-0 10.1016/S0378-3812(98)00275-1 10.1007/BF02189229 10.1016/0009-2614(96)01012-3 10.1063/1.481673 10.1103/PhysRevE.54.634 10.1080/002689797169691 10.1080/00268979000100341 10.1063/1.468686 10.1063/1.474364 10.1080/00268979100102031 10.1080/002689797172039 10.1021/j100327a045 10.1103/PhysRevLett.61.2635 10.1063/1.476453 10.1103/PhysRevLett.68.193 10.1063/1.477787 10.1080/00268977800100181 10.1063/1.477798 10.1063/1.452800 10.1063/1.466781 10.1016/0009-2614(78)80372-8 |
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