PAULA
GOMEZ ALVAREZ
PROFESORA TITULAR DE UNIVERSIDAD
Publicacións (38) Publicacións de PAULA GOMEZ ALVAREZ
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
2017
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Adsorptive process design for the separation of hexane isomers using zeolites
Physical Chemistry Chemical Physics, Vol. 19, Núm. 7, pp. 5037-5042
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Cadmium–BINOL Metal–Organic Framework for the Separation of Alcohol Isomers
Chemistry - A European Journal, Vol. 23, Núm. 4, pp. 874-885
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Effective Model for Olefin/Paraffin Separation using (Co, Fe, Mn, Ni)-MOF-74
ChemistrySelect, Vol. 2, Núm. 2, pp. 665-672
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Importance of Blocking Inaccessible Voids on Modeling Zeolite Adsorption: Revisited
Journal of Physical Chemistry C, Vol. 121, Núm. 8, pp. 4462-4470
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Olefin/Paraffin Separation in Open Metal Site Cu-BTC Metal-Organic Framework
Journal of Physical Chemistry C, Vol. 121, Núm. 5, pp. 3126-3132
2016
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Aqueous Solutions of Ionic Liquids: Microscopic Assembly
ChemPhysChem, Vol. 17, Núm. 3, pp. 380-386
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Highly Selective Zeolite Topologies for Flue Gas Separation
Chemistry - A European Journal, Vol. 22, Núm. 52, pp. 18705-18708
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Impact of the Nature of Exchangeable Cations on LTA-Type Zeolite Hydration
Journal of Physical Chemistry C, Vol. 120, Núm. 40, pp. 23254-23261