Publicaciones (138) Publicaciones en las que ha participado algún/a investigador/a

2024

  1. Transport properties of the square-well fluid from molecular dynamics simulation

    Molecular Physics

2023

  1. Dissociation line and driving force for nucleation of the nitrogen hydrate from computer simulation

    Journal of Chemical Physics, Vol. 159, Núm. 22

  2. Effect of pressure on the carbon dioxide hydrate-water interfacial free energy along its dissociation line

    The Journal of chemical physics, Vol. 158, Núm. 19

  3. Homogeneous nucleation rate of methane hydrate formation under experimental conditions from seeding simulations

    Journal of Chemical Physics, Vol. 158, Núm. 11

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

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

  5. Molecular simulations of the vapour-liquid coexistence curve of square-well dimer fluids

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

  6. 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

  7. Solubility of carbon dioxide in water: Some useful results for hydrate nucleation

    Journal of Chemical Physics, Vol. 158, Núm. 18

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. Molecular dynamics of liquid-liquid equilibrium and interfacial properties of aqueous solutions of methyl esters

    Physical Chemistry Chemical Physics, Vol. 24, Núm. 9, pp. 5371-5382

  3. Simulation of the CO2 hydrate-water interfacial energy: The mold integration-guest methodology

    The Journal of chemical physics, Vol. 157, Núm. 13, pp. 134709

  4. Simulation of the carbon dioxide hydrate-water interfacial energy

    Journal of Colloid and Interface Science, Vol. 623, pp. 354-367

  5. Solubility of Methane in Water: Some Useful Results for Hydrate Nucleation

    The journal of physical chemistry. B, Vol. 126, Núm. 42, pp. 8553-8570

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

    Journal of Molecular Liquids, Vol. 368

2021

  1. Phase equilibria and interfacial properties of selected methane + n-alkane binary mixtures

    Journal of Molecular Liquids, Vol. 341

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. Thermodynamics 2019 Conference–Punta Umbría, Costa de la Luz, Huelva, Spain, 26–28 June 2019

    Molecular Physics

  4. 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