Publicaciones en colaboración con investigadores/as de Universidad de Huelva (17)

2024

  1. 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

2023

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

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

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

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

2022

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

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

2015

  1. Molecular dynamics simulation of CO2 hydrates: Prediction of three phase coexistence line

    Journal of Chemical Physics, Vol. 142, Núm. 12

2013

  1. Monte carlo simulation of flexible trimers: From square well chains to amphiphilic primitive models

    Journal of Chemical Physics, Vol. 139, Núm. 11

2008

  1. Determination of the melting point of hard spheres from direct coexistence simulation methods

    Journal of Chemical Physics, Vol. 128, Núm. 15

2007

  1. Surface tension of the most popular models of water by using the test-area simulation method

    Journal of Chemical Physics, Vol. 126, Núm. 15

2004

  1. Computer simulation study of the global phase behavior of linear rigid Lennard-Jones chain molecules: Comparison with flexible models

    Journal of Chemical Physics, Vol. 120, Núm. 8, pp. 3957-3968

  2. Molecular modeling of flexible molecules. Vapor-liquid and fluid-solid equilibria

    Journal of Molecular Liquids

2003

  1. Critical properties of molecular fluids from the virial series

    Journal of Chemical Physics, Vol. 119, Núm. 21, pp. 11367-11373

  2. Fluid-solid equilibria of flexible and linear rigid tangent chains from Wertheim's thermodynamic perturbation theory

    Journal of Chemical Physics, Vol. 119, Núm. 20, pp. 10958-10971

  3. Study of the solid-liquid-vapour phase equilibria of flexible chain molecules using Wertheim's thermodynamic perturbation theory

    Molecular Physics, Vol. 101, Núm. 3, pp. 449-458

  4. The phase diagram of the two center Lennard-Jones model as obtained from computer simulation and Wertheim's thermodynamic perturbation theory

    Journal of Chemical Physics, Vol. 118, Núm. 23, pp. 10696-10706

  5. Third virial coefficients and critical properties of quadrupolar two center Lennard-Jones models

    Physical Chemistry Chemical Physics, Vol. 5, Núm. 13, pp. 2851-2857

2002

  1. Extending Wertheim's perturbation theory to the solid phase of Lennard-Jones chains: Determination of the global phase diagram

    Journal of Chemical Physics, Vol. 116, Núm. 17, pp. 7645-7655

  2. The global phase diagram of the Gay-Berne model

    Journal of Chemical Physics, Vol. 117, Núm. 13, pp. 6313-6322