Publikationen in Zusammenarbeit mit Forschern von Universidad de Concepción (14)

2022

  1. 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

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. 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. Estudio del tetrahidrofurano mediante dinámica molecular: modelado y propiedades interfaciales

    La investigación del Grupo Especializado de Termodinámica de las Reales Sociedades Españolas de Física y Química. Vol. 8, Año 2017

  2. On the Physical Insight into the Barotropic Effect in the Interfacial Behavior for the H2O + CO2 Mixture

    Journal of Physical Chemistry C, Vol. 123, Núm. 46, pp. 28123-28130

  3. 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

2017

  1. Measurement and modeling of high pressure density and interfacial tension of carbon dioxide + tetrahydrofuran mixture

    Journal of Supercritical Fluids, Vol. 128, pp. 359-369

2016

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

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

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

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

  3. Understanding the interfacial behavior in isopycnic Lennard-Jones mixtures by computer simulations

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 2, pp. 1114-1124

2014

  1. Comprehensive characterization of interfacial behavior for the mixture CO2 + H2O + CH4: Comparison between atomistic and coarse grained molecular simulation models and density gradient theory

    Journal of Physical Chemistry C, Vol. 118, Núm. 42, pp. 24504-24519