Publicaciones (73) Publicaciones en las que ha participado algún/a investigador/a

2024

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

    Journal of Chemical Physics, Vol. 161, Núm. 5

  2. Prediction of the univariant two-phase coexistence line of the tetrahydrofuran hydrate from computer simulation

    Journal of Chemical Physics, Vol. 160, Núm. 16

  3. Rotationally invariant local bond order parameters for accurate determination of hydrate structures

    Molecular Physics

  4. Simulation of the THF hydrate-water interfacial free energy from computer simulation

    Journal of Chemical Physics, Vol. 161, Núm. 6

  5. 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

  6. 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

  7. 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

  8. 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