Publications (28)

¹ Publicaciones consideradas como producción del grupo

filter_list Condensed Matter Physics

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

    Molecular Physics, Vol. 122, Núm. 21-22

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

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

  4. 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

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

    Molecular Physics, Vol. 122, Núm. 19-20

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

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

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

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

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

    Journal of Molecular Liquids, Vol. 368

2019

  1. An accurate density functional theory for the vapor-liquid interface of chain molecules based on the statistical associating fluid theory for potentials of variable range for Mie chainlike fluids

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 22, pp. 11937-11948

  2. Phase Equilibria and Interfacial Properties of the Tetrahydrofuran + Methane Binary Mixture from Experiment and Computer Simulation

    Journal of Physical Chemistry C, Vol. 123, Núm. 34, pp. 20960-20970

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

2017

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

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

  2. Vapour-liquid interfacial properties of square-well chains from density functional theory and Monte Carlo simulation

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 19, pp. 12296-12309

2016

  1. Interfacial properties of binary mixtures of square-well molecules from Monte Carlo simulation

    Journal of Chemical Physics, Vol. 144, Núm. 15

  2. Interfacial tensions of industrial fluids from a molecular-based square gradient theory

    AIChE Journal, Vol. 62, Núm. 5, pp. 1781-1794