Centro de Investigación en Química Sostenible
Centre d'investigació
Universidad Complutense de Madrid
Madrid, EspañaPublicacions en col·laboració amb investigadors/es de Universidad Complutense de Madrid (38)
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
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Three-phase equilibria of hydrates from computer simulation. II. Finite-size effects in the carbon dioxide hydrate
The Journal of chemical physics, Vol. 160, Núm. 16
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Three-phase equilibria of hydrates from computer simulation. III. Effect of dispersive interactions in the methane and carbon dioxide hydrates
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
2018
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Oil shows geochemistry and fluid inclusion thermometry of Mid Cretaceous carbonates from the eastern Basque Cantabrian Basin (N Spain)
Marine and Petroleum Geology, Vol. 92, pp. 255-269
2017
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Vapour-liquid interfacial properties of square-well chains from density functional theory and Monte Carlo simulation
Physical Chemistry Chemical Physics, Vol. 19, Núm. 19, pp. 12296-12309
2015
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Diagenetic evolution of the upper Cretaceous limestone and sandstone exhumed reservoirs in the western Basque-Cantabrian Basin, North Spain
Marine and Petroleum Geology, Vol. 66, pp. 673-694
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Molecular dynamics simulation of CO2 hydrates: Prediction of three phase coexistence line
Journal of Chemical Physics, Vol. 142, Núm. 12
2014
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Effect of molecular flexibility of Lennard-Jones chains on vapor-liquid interfacial properties
Journal of Chemical Physics, Vol. 140, Núm. 11
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
2012
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Semi-infinite boundary conditions for the simulation of interfaces: The Ar/CO 2(s) model revisited
Journal of Chemical Physics, Vol. 136, Núm. 10
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Universal scaling behaviour of surface tension of molecular chains
Journal of Chemical Physics, Vol. 137, Núm. 2
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Vapor-liquid interfacial properties of rigid-linear Lennard-Jones chains
Journal of Chemical Physics, Vol. 137, Núm. 8
2011
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Solid - Solid and solid - Fluid equilibria of the most popular models of methanol obtained by computer simulation
Journal of Physical Chemistry B, Vol. 115, Núm. 13, pp. 3522-3530
2009
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Surface tension of fully flexible Lennard-Jones chains: Role of long-range corrections
Journal of Chemical Physics, Vol. 131, Núm. 7
2008
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Vapor-liquid interfacial properties of fully flexible Lennard-Jones chains
Journal of Chemical Physics, Vol. 129, Núm. 14
2004
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Formation of nontronite from oxidative dissolution of pyrite disseminated in precambrian felsic metavolcanics of the Southern Iberian Massif (Spain)
Clays and Clay Minerals, Vol. 52, Núm. 1, pp. 106-114
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Molecular modeling of flexible molecules. Vapor-liquid and fluid-solid equilibria
Journal of Molecular Liquids