Publicacións (38) Publicacións de PAULA GOMEZ ALVAREZ

2023

  1. Interfacial properties of square-well chains from molecular dynamics simulation

    Molecular Physics, Vol. 121, Núm. 19-20

  2. 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

  1. 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

  2. Structural study of water/alcohol mixtures adsorbed in MFI and MEL porosils

    Journal of Molecular Liquids, Vol. 368

2020

  1. 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

  2. Preferential Orientations and Anomalous Interfacial Tensions in Aqueous Solutions of Alcohols

    Journal of Physical Chemistry B, Vol. 124, Núm. 38, pp. 8388-8401

  3. 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

  1. Acetylene Storage and Separation Using Metal-Organic Frameworks with Open Metal Sites

    ACS Applied Materials and Interfaces, Vol. 11, Núm. 34, pp. 31499-31507

  2. Adsorption of water, methanol, and their mixtures in slit graphite pores

    Journal of Chemical Physics, Vol. 150, Núm. 2

2018

  1. 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

  2. Improving Olefin Purification Using Metal Organic Frameworks with Open Metal Sites

    ACS Applied Materials and Interfaces, Vol. 10, Núm. 19, pp. 16911-16917

  3. Study of Short-Chain Alcohol and Alcohol-Water Adsorption in MEL and MFI Zeolites

    Langmuir, Vol. 34, Núm. 43, pp. 12739-12750

2017

  1. Adsorptive process design for the separation of hexane isomers using zeolites

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 7, pp. 5037-5042

  2. Cadmium–BINOL Metal–Organic Framework for the Separation of Alcohol Isomers

    Chemistry - A European Journal, Vol. 23, Núm. 4, pp. 874-885

  3. Effective Model for Olefin/Paraffin Separation using (Co, Fe, Mn, Ni)-MOF-74

    ChemistrySelect, Vol. 2, Núm. 2, pp. 665-672

  4. Importance of Blocking Inaccessible Voids on Modeling Zeolite Adsorption: Revisited

    Journal of Physical Chemistry C, Vol. 121, Núm. 8, pp. 4462-4470

  5. 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

  1. Aqueous Solutions of Ionic Liquids: Microscopic Assembly

    ChemPhysChem, Vol. 17, Núm. 3, pp. 380-386

  2. Highly Selective Zeolite Topologies for Flue Gas Separation

    Chemistry - A European Journal, Vol. 22, Núm. 52, pp. 18705-18708

  3. Impact of the Nature of Exchangeable Cations on LTA-Type Zeolite Hydration

    Journal of Physical Chemistry C, Vol. 120, Núm. 40, pp. 23254-23261