CARLOS
VEGA DE LAS HERAS
Catedrático de universidad
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Universidad de Huelva
Huelva, EspañaPublicaciones en colaboración con investigadores/as de Universidad de Huelva (17)
2024
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Three-phase equilibria of hydrates from computer simulation. I. Finite-size effects in the methane hydrate
The Journal of chemical physics, Vol. 160, Núm. 16
2023
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Homogeneous nucleation rate of methane hydrate formation under experimental conditions from seeding simulations
Journal of Chemical Physics, Vol. 158, Núm. 11
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Solubility of carbon dioxide in water: Some useful results for hydrate nucleation
Journal of Chemical Physics, Vol. 158, Núm. 18
2022
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Solubility of Methane in Water: Some Useful Results for Hydrate Nucleation
The journal of physical chemistry. B, Vol. 126, Núm. 42, pp. 8553-8570
2015
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Molecular dynamics simulation of CO2 hydrates: Prediction of three phase coexistence line
Journal of Chemical Physics, Vol. 142, Núm. 12
2013
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Monte carlo simulation of flexible trimers: From square well chains to amphiphilic primitive models
Journal of Chemical Physics, Vol. 139, Núm. 11
2008
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Determination of the melting point of hard spheres from direct coexistence simulation methods
Journal of Chemical Physics, Vol. 128, Núm. 15
2007
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Surface tension of the most popular models of water by using the test-area simulation method
Journal of Chemical Physics, Vol. 126, Núm. 15
2004
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Computer simulation study of the global phase behavior of linear rigid Lennard-Jones chain molecules: Comparison with flexible models
Journal of Chemical Physics, Vol. 120, Núm. 8, pp. 3957-3968
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Molecular modeling of flexible molecules. Vapor-liquid and fluid-solid equilibria
Journal of Molecular Liquids
2003
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Critical properties of molecular fluids from the virial series
Journal of Chemical Physics, Vol. 119, Núm. 21, pp. 11367-11373
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Fluid-solid equilibria of flexible and linear rigid tangent chains from Wertheim's thermodynamic perturbation theory
Journal of Chemical Physics, Vol. 119, Núm. 20, pp. 10958-10971
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Study of the solid-liquid-vapour phase equilibria of flexible chain molecules using Wertheim's thermodynamic perturbation theory
Molecular Physics, Vol. 101, Núm. 3, pp. 449-458
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The phase diagram of the two center Lennard-Jones model as obtained from computer simulation and Wertheim's thermodynamic perturbation theory
Journal of Chemical Physics, Vol. 118, Núm. 23, pp. 10696-10706
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Third virial coefficients and critical properties of quadrupolar two center Lennard-Jones models
Physical Chemistry Chemical Physics, Vol. 5, Núm. 13, pp. 2851-2857
2002
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Extending Wertheim's perturbation theory to the solid phase of Lennard-Jones chains: Determination of the global phase diagram
Journal of Chemical Physics, Vol. 116, Núm. 17, pp. 7645-7655
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The global phase diagram of the Gay-Berne model
Journal of Chemical Physics, Vol. 117, Núm. 13, pp. 6313-6322