Publications
331 results found
McCabe C, Galindo A, García-Lisbona MN, et al., 2001, Examining the adsorption (vapor-liquid equilibria) of short-chain hydrocarbons in low-density polyethylene with the SAFT-VR approach, INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, Vol: 40, Pages: 3835-3842, ISSN: 0888-5885
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- Citations: 68
Gil-Villegas A, Galindo A, Jackson G, 2001, A statistical associating fluid theory for electrolyte solutions (SAFT-VRE), MOLECULAR PHYSICS, Vol: 99, Pages: 531-546, ISSN: 0026-8976
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- Citations: 81
McCabe C, Dias LMB, Jackson G, et al., 2001, On the liquid mixtures of xenon, alkanes and perfluorinated compounds, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol: 3, Pages: 2852-2855, ISSN: 1463-9076
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- Citations: 23
Galindo A, Jackson G, Photinos DJ, 2000, Computer simulation of the interface between two liquid crystalline phases in rod-plate binary mixtures, CHEMICAL PHYSICS LETTERS, Vol: 325, Pages: 631-638, ISSN: 0009-2614
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- Citations: 21
van Duijneveldt JS, Gil-Villegas A, Jackson G, et al., 2000, Simulation study of the phase behavior of a primitive model for thermotropic liquid crystals: Rodlike molecules with terminal dipoles and flexible tails, JOURNAL OF CHEMICAL PHYSICS, Vol: 112, Pages: 9092-9104, ISSN: 0021-9606
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- Citations: 42
Davies LA, Jackson G, Rull LF, 2000, Closed-loop phase equilibria of a symmetrical associating mixture of square-well molecules examined by Gibbs ensemble Monte Carlo simulation, PHYSICAL REVIEW E, Vol: 61, Pages: 2245-2256, ISSN: 2470-0045
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- Citations: 14
Filipe EJM, Martins LFG, Calado JCG, et al., 2000, Thermodynamics of liquid mixtures of xenon with Alkanes:: (xenon plus <i>n</i>-butane) and (xenon plus isobutane), JOURNAL OF PHYSICAL CHEMISTRY B, Vol: 104, Pages: 1322-1325, ISSN: 1089-5647
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- Citations: 53
Filipe EJM, Gomes de Azevedo EJS, Martins LFG, et al., 2000, Thermodynamics of liquid mixtures of xenon with alkanes: xenon + ethane and xenon + propane, Journal of Physical Chemistry B, Vol: 104, Pages: 1315-1321
Filipe EJM, Martins LFG, Calado JCG, et al., 2000, Thermodynamics of liquid mixtures of xenon with alkanes: xenon + butane and xenon + i-butane, Journal of Physical Chemistry B, Vol: 104, Pages: 1322-1325
Galindo A, Gil-Villegas A, Jackson G, et al., 1999, SAFT-VRE: Phase behavior of electrolyte solutions with the statistical associating fluid theory for potentials of variable range, JOURNAL OF PHYSICAL CHEMISTRY B, Vol: 103, Pages: 10272-10281, ISSN: 1089-5647
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- Citations: 189
Davies LA, Gil-Villegas A, Jackson G, 1999, An analytical equation of state for chain molecules formed from Yukawa segments, JOURNAL OF CHEMICAL PHYSICS, Vol: 111, Pages: 8659-8665, ISSN: 0021-9606
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- Citations: 72
Haslam AJ, Jackson G, McLeish TCB, 1999, Monte Carlo simulation study of the induced deformation of polymer chains dissolved in stretched networks, MACROMOLECULES, Vol: 32, Pages: 7289-7298, ISSN: 0024-9297
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- Citations: 10
, 1999, The thermodynamics of heteronuclear molecules formed from bonded square-well (BSW) segments using the SAFT-VR approach, MOLECULAR PHYSICS, Vol: 97, Pages: 551-558, ISSN: 0026-8976
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- Citations: 67
Haslam AJ, Jackson G, McLeish TCB, 1999, An investigation of the shape and crossover scaling of flexible tangent hard-sphere polymer chains by Monte Carlo simulation, JOURNAL OF CHEMICAL PHYSICS, Vol: 111, Pages: 416-428, ISSN: 0021-9606
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- Citations: 13
Davies LA, Jackson G, Rull LF, 1999, Simulation study of the link between molecular association and reentrant miscibility for a mixture of molecules with directional interactions, PHYSICAL REVIEW LETTERS, Vol: 82, Pages: 5285-5288, ISSN: 0031-9007
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- Citations: 25
Nezbeda I, Pavlícek J, Kolafa J, et al., 1999, Global phase behavior of model mixtures of water and <i>n</i>-alkanols, FLUID PHASE EQUILIBRIA, Vol: 158, Pages: 193-199, ISSN: 0378-3812
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- Citations: 19
McCabe C, Jackson G, 1999, SAFT-VR modelling of the phase equilibrium of long-chain n-alkanes, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol: 1, Pages: 2057-2064, ISSN: 1463-9076
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- Citations: 141
McCabe C, Gil-Villegas A, Jackson G, 1999, Gibbs ensemble computer simulation and SAFT-VR theory of non-conformal square-well monomer-dimer mixtures, CHEMICAL PHYSICS LETTERS, Vol: 303, Pages: 27-36, ISSN: 0009-2614
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- Citations: 22
Davies LA, Jackson G, Rull LF, 1999, Simulation study of the link between molecular association and reentrant miscibility for a mixture of molecules with directional interactions, Physical Review Letters, Vol: 82, Pages: 5285-5288, ISSN: 0031-9007
The reentrant liquid-liquid miscibility of a symmetrical mixture with highly directional bonding interactions is studied by Gibbs ensemble Monte Carlo simulation. The resulting closed loop of immiscibility and the corresponding lower critical solution temperature are shown to be a direct consequence of the dramatic increase in association between unlike components as the temperature is lowered. Our exact calculations for an off-lattice system with a well-defined anisotropic potential confirm the findings of previous theoretical studies. © 1999 The American Physical Society.
McCabe C, Galindo A, Gil-Villegas A, et al., 1998, Predicting the high-pressure phase equilibria of binary mixtures of <i>n</i>-alkanes using the SAFT-VR approach, INTERNATIONAL JOURNAL OF THERMOPHYSICS, Vol: 19, Pages: 1511-1522, ISSN: 0195-928X
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- Citations: 58
McGrother SC, Gil-Villegas A, Jackson G, 1998, The effect of dipolar interactions on the liquid crystalline phase transitions of hard spherocylinders with central longitudinal dipoles, MOLECULAR PHYSICS, Vol: 95, Pages: 657-673, ISSN: 0026-8976
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- Citations: 76
McCabe C, Galindo A, Gil-Villegas A, et al., 1998, Predicting the high-pressure phase equilibria of binary mixtures of perfluoro-<i>n</i>-alkanes plus <i>n</i>-alkanes using the SAFT-VR approach, JOURNAL OF PHYSICAL CHEMISTRY B, Vol: 102, Pages: 8060-8069, ISSN: 1089-5647
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- Citations: 119
Galindo A, Gil-Villegas A, Whitehead PJ, et al., 1998, Prediction of phase equilibria for refrigerant mixtures of difluoromethane (HFC-32), 1,1,1,2-tetrafluoroethane (HFC-134a), and pentafluoroethane (HFC-125a) using SAFT-VR, JOURNAL OF PHYSICAL CHEMISTRY B, Vol: 102, Pages: 7632-7639, ISSN: 1089-5647
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- Citations: 74
McCabe C, Galindo A, Gil-Villegas A, et al., 1998, Predicting the high-pressure phase equilibria of binary mixtures of n-alkanes using the SAFT-VR approach, International Journal of Thermophysics, Vol: 19, Pages: 1511-1522, ISSN: 0195-928X
The phase behavior of selected alkane binary mixtures is studied using SAFT-VR, a version of the statistical associating fluid theory for potentials of variable attractive range (SAFT). We treat the n-alkane molecules as chains formed from united-atom hard-sphere segments with square-well potentials of variable range to describe the attractive interactions. We use a simple relationship between the number of carbon atoms in the n-alkane molecule and the number of segments in the united atom chains in order to predict the phase behavior of n-butane with other n-alkanes. The calculated vapor pressures and saturated liquid densities of the pure components are fitted to experimental data from the triple point to the critical point. These optimized parameters are rescaled by the respective experimental critical points and used to determine the critical lines and phase behavior of the mixtures. We use the Lorentz-Berthelot combining rule for the unlike interactions. We predict the phase behavior of n-butane + n-alkane binary mixtures, concentrating mainly on the critical region. The gas-liquid critical lines predicted by SAFT-VR for the n-alkane mixtures are in excellent agreement with the experimental data, and improve significantly on the results obtained with the simpler SAFT-HS approach where the attractive interactions are treated at the mean-field level. © 1998 Plenum Publishing Corporation.
Garcia-Lisbona MN, Galindo A, Jackson G, et al., 1998, Predicting the high-pressure phase equilibria of binary aqueous solutions of 1-butanol, n-butoxyethanol and n-decylpentaoxyethylene ether (C10E5) using the SAFT-HS approach, Molecular Physics, Vol: 93, Pages: 57-71
Davies LA, Gil-Villegas A, Jackson G, et al., 1998, Phase equilibria of a square-well monomer-dimer mixture: Gibbs ensemble computer simulation and statistical associating fluid theory for potentials of variable range, Physical Review E, Vol: 57, Pages: 2035-2044
Varga S, Jackson G, Szalai I, 1998, External field induced paranematic-nematic phase transitions in rod-like systems, Molecular Physics, Vol: 93, Pages: 377-387
Gil-Villegas A, Jackson G, McGrother SC, 1998, Computer simulation of dipolar liquid crystals, Journal of Molecular Liquids, Vol: 76, Pages: 171-181
McCabe C, Gil-Villegas A, Jackson G, 1998, Predicting the high-pressure phase equilibria of methane + n-hexane using the SAFT-VR approach, Journal of Physical Chemistry B, Vol: 102, Pages: 4183-4188
Davies LA, Gil-Villegas A, Jackson G, 1998, Describing the properties of chains of segments interacting via soft-core potentials of variable range with the SAFT-VR approach, International Journal of Thermophysics, Vol: 19, Pages: 675-686
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