FISICA DE LIQUIDOS COMPLEJOS
Imperial College London
Londres, Reino UnidoPublications in collaboration with researchers from Imperial College London (31)
2022
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Density functional theory for the prediction of interfacial properties of molecular fluids within the SAFT-γ coarse-grained approach
RSC Advances, Vol. 12, Núm. 29, pp. 18821-18833
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Molecular dynamics of liquid-liquid equilibrium and interfacial properties of aqueous solutions of methyl esters
Physical Chemistry Chemical Physics, Vol. 24, Núm. 9, pp. 5371-5382
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Simulation of the carbon dioxide hydrate-water interfacial energy
Journal of Colloid and Interface Science, Vol. 623, pp. 354-367
2021
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Phase equilibria and interfacial properties of selected methane + n-alkane binary mixtures
Journal of Molecular Liquids, Vol. 341
2020
2016
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Interfacial tensions of industrial fluids from a molecular-based square gradient theory
AIChE Journal, Vol. 62, Núm. 5, pp. 1781-1794
2012
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Application of the SAFT-VR density functional theory to the prediction of the interfacial properties of mixtures of relevance to reservoir engineering
Fluid Phase Equilibria, Vol. 336, pp. 137-150
2011
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Transferable SAFT-VR models for the calculation of the fluid phase equilibria in reactive mixtures of carbon dioxide, water, and n-alkylamines in the context of carbon capture
Journal of Physical Chemistry B, Vol. 115, Núm. 25, pp. 8155-8168
2010
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Classical density functional theory for the prediction of the surface tension and interfacial properties of fluids mixtures of chain molecules based on the statistical associating fluid theory for potentials of variable range
Journal of Chemical Physics, Vol. 133, Núm. 2
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Interfacial tension measurements and modelling of (carbon dioxide + n-alkane) and (carbon dioxide + water) binary mixtures at elevated pressures and temperatures
Journal of Supercritical Fluids, Vol. 55, Núm. 2, pp. 743-754
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Monte Carlo simulations of the liquid - Vapor interface of Lennard-Jones diatomics for the direct determination of the interfacial tension using the test-area method
Journal of Chemical and Engineering Data, Vol. 55, Núm. 10, pp. 4306-4314
2009
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Application of the generalised SAFT-VR approach for long-ranged square-well potentials to model the phase behaviour of real fluids
Fluid Phase Equilibria, Vol. 276, Núm. 2, pp. 116-126
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Capturing the solubility minima of n-Alkanes in water by Soft-SAFT
Journal of Physical Chemistry B, Vol. 113, Núm. 21, pp. 7621-7630
2008
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Modeling interfacial properties of real fluids involved in enhanced oil recovery through the use of a density functional theory based on the saft-Vr Eos
AIChE Annual Meeting, Conference Proceedings
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Vapor-liquid interfacial properties of fully flexible Lennard-Jones chains
Journal of Chemical Physics, Vol. 129, Núm. 14
2007
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Modelling the phase equilibria and excess properties of the water + carbon dioxide binary mixture
Fluid Phase Equilibria, Vol. 261, Núm. 1-2, pp. 359-365
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Phase equilibria, excess properties, and Henry's constants of the water + carbon dioxide binary mixture
Journal of Physical Chemistry C, Vol. 111, Núm. 43, pp. 15924-15934
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Prediction of the vapor-liquid interfacial tension of nonassociating and associating fluids with the SAFT-VR density functional theory
Journal of Physical Chemistry C, Vol. 111, Núm. 43, pp. 15513-15522
2005
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Test-area simulation method for the direct determination of the interfacial tension of systems with continuous or discontinuous potentials
Journal of Chemical Physics, Vol. 123, Núm. 13
2004
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An accurate density functional theory for the vapor-liquid interface of associating chain molecules based on the statistical associating fluid theory for potentials of variable range
Journal of Chemical Physics, Vol. 121, Núm. 24, pp. 12740-12759