Publications (35) FELIPE JIMENEZ BLAS publications

filter_list Physical and Theoretical Chemistry

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. 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

2023

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

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

2022

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

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

2020

  1. 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. 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. Interfacial Properties of Tetrahydrofuran and Carbon Dioxide Mixture from Computer Simulation

    Journal of Physical Chemistry C, Vol. 122, Núm. 28, pp. 16142-16153

2016

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

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

  2. On interfacial properties of tetrahydrofuran: Atomistic and coarse-grained models from molecular dynamics simulation

    Journal of Chemical Physics, Vol. 144, Núm. 14

2015

  1. Liquid-liquid interfacial properties of a symmetrical Lennard-Jones binary mixture

    Journal of Chemical Physics, Vol. 143, Núm. 10

2014

  1. An examination of the excess thermodynamic properties of flexible molecules from a molecular modelling perspective

    Fluid Phase Equilibria, Vol. 361, pp. 93-103

  2. Effect of dispersive long-range corrections to the pressure tensor: The vapour-liquid interfacial properties of the Lennard-Jones system revisited

    Journal of Chemical Physics, Vol. 141, Núm. 18

  3. Effect of molecular flexibility of Lennard-Jones chains on vapor-liquid interfacial properties

    Journal of Chemical Physics, Vol. 140, Núm. 11

2013

  1. Extension of the Test-Area methodology for calculating solid-fluid interfacial tensions in cylindrical geometry

    Journal of Chemical Physics, Vol. 138, Núm. 13

  2. Influence of the long-range corrections on the interfacial properties of molecular models using Monte Carlo simulation

    Journal of Chemical Physics, Vol. 138, Núm. 3

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

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

2012

  1. Application of the SAFT-VR density functional theory to the prediction of the interfacial properties of mixtures of relevance to reservoir engineering

    Fluid Phase Equilibria, Vol. 336, pp. 137-150

  2. Universal scaling behaviour of surface tension of molecular chains

    Journal of Chemical Physics, Vol. 137, Núm. 2

  3. Vapor-liquid interfacial properties of rigid-linear Lennard-Jones chains

    Journal of Chemical Physics, Vol. 137, Núm. 8