Química Física de Fases Condensadas e Interfases
QUIFICON
Universidad de Huelva
Huelva, EspañaPublicaciones en colaboración con investigadores/as de Universidad de Huelva (12)
2023
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Interfacial properties of square-well chains from molecular dynamics simulation
Molecular Physics, Vol. 121, Núm. 19-20
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Rare earth elements as statistical sentinels of pollution and paleoenvironments?: Application to a highly polluted estuary in southwestern Spain
Marine pollution bulletin, Vol. 186, pp. 114419
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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Structural study of water/alcohol mixtures adsorbed in MFI and MEL porosils
Journal of Molecular Liquids, Vol. 368
2020
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Molecular modelling techniques for predicting liquid-liquid interfacial properties of methanol plus alkane (: N-hexane, n-heptane, n-octane) mixtures
Physical Chemistry Chemical Physics, Vol. 22, Núm. 46, pp. 27121-27133
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Preferential Orientations and Anomalous Interfacial Tensions in Aqueous Solutions of Alcohols
Journal of Physical Chemistry B, Vol. 124, Núm. 38, pp. 8388-8401
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Vapour-liquid phase equilibria and interfacial properties of fatty acid methyl esters from molecular dynamics simulations
Physical Chemistry Chemical Physics, Vol. 22, Núm. 9, pp. 4974-4983
2019
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Acetylene Storage and Separation Using Metal-Organic Frameworks with Open Metal Sites
ACS Applied Materials and Interfaces, Vol. 11, Núm. 34, pp. 31499-31507
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Adsorption of water, methanol, and their mixtures in slit graphite pores
Journal of Chemical Physics, Vol. 150, Núm. 2
2018
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Adsorption and interfacial phenomena of a Lennard-Jones fluid adsorbed in slit pores: DFT and GCMC simulations
Molecular Physics, Vol. 116, Núm. 21-22, pp. 3417-3424
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Improving Olefin Purification Using Metal Organic Frameworks with Open Metal Sites
ACS Applied Materials and Interfaces, Vol. 10, Núm. 19, pp. 16911-16917
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Study of Short-Chain Alcohol and Alcohol-Water Adsorption in MEL and MFI Zeolites
Langmuir, Vol. 34, Núm. 43, pp. 12739-12750