Publications by the researcher in collaboration with Juan Manuel Castillo Sánchez (12)

2013

  1. Water adsorption in hydrophilic zeolites: Experiment and simulation

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 40, pp. 17374-17382

2012

  1. Influence of force field parameters on computed diffusion coefficients of CO 2 in LTA-type zeolite

    Microporous and Mesoporous Materials, Vol. 158, pp. 64-76

  2. On the mechanism behind the instability of isoreticular metal-organic frameworks (IRMOFs) in humid environments

    Chemistry - A European Journal, Vol. 18, Núm. 39, pp. 12260-12266

2011

  1. External surface adsorption on silicalite-1 zeolite studied by molecular simulation

    Journal of Physical Chemistry C, Vol. 115, Núm. 31, pp. 15355-15360

2010

  1. Enantioselective adsorption characteristics of aluminum-substituted MFI zeolites

    Chemistry of Materials, Vol. 22, Núm. 16, pp. 4591-4601

  2. Performance of chiral zeolites for enantiomeric separation revealed by molecular simulation

    Journal of Physical Chemistry C, Vol. 114, Núm. 50, pp. 22207-22213

2009

  1. Evaluation of various water models for simulation of adsorption in hydrophobic zeolites

    Molecular Simulation, Vol. 35, Núm. 12-13, pp. 1067-1076

  2. Identification of adsorption sites in Cu-BTC by experimentation and molecular simulation

    Langmuir, Vol. 25, Núm. 3, pp. 1725-1731

  3. Molecular simulation study on the separation of xylene isomers in MIL-47 metal - Organic frameworks

    Journal of Physical Chemistry C, Vol. 113, Núm. 49, pp. 20869-20874

2008

  1. Molecular simulations for adsorption and separation of natural gas in IRMOF-1 and Cu-BTC metal-organic frameworks

    Physical Chemistry Chemical Physics, Vol. 10, Núm. 47, pp. 7085-7091

  2. Understanding water adsorption in Cu - BTC metal - organic frameworks

    Journal of Physical Chemistry C, Vol. 112, Núm. 41, pp. 15934-15939

  3. Unraveling the argon adsorption processes in MFI-type zeolite

    Journal of Physical Chemistry C, Vol. 112, Núm. 27, pp. 9976-9979