Publications by the researcher in collaboration with Sofia Calero Díaz (24)

2024

  1. RASPA3: A Monte Carlo code for computing adsorption and diffusion in nanoporous materials and thermodynamics properties of fluids

    Journal of Chemical Physics, Vol. 161, Núm. 11

2023

  1. Modelling of adsorbate-size dependent explicit isotherms using a segregated approach to account for surface heterogeneities

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

  2. RUPTURA: simulation code for breakthrough, ideal adsorption solution theory computations, and fitting of isotherm models

    Molecular Simulation, Vol. 49, Núm. 9, pp. 893-953

  3. TAMOF-1 as a Versatile and Predictable Chiral Stationary Phase for the Resolution of Racemic Mixtures

    ACS Applied Materials and Interfaces, Vol. 15, Núm. 33, pp. 39594-39605

2022

  1. Separation of Volatile Organic Compounds in TAMOF-1

    ACS Applied Materials and Interfaces, Vol. 14, Núm. 27, pp. 30772-30785

  2. Understanding the stability and structural properties of ordered nanoporous metals towards their rational synthesis

    Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 478, Núm. 2266

2021

  1. Effect of diol isomer/water mixtures on the stability of Zn-MOF-74

    Dalton Transactions, Vol. 50, Núm. 5, pp. 1808-1815

2020

  1. Effect of lattice shrinking on the migration of water within zeolite LTA

    Microporous and Mesoporous Materials, Vol. 293

  2. Efficient modelling of ion structure and dynamics in inorganic metal halide perovskites

    Journal of Materials Chemistry A, Vol. 8, Núm. 23, pp. 11824-11836

2019

  1. Homochiral Metal-Organic Frameworks for Enantioselective Separations in Liquid Chromatography

    Journal of the American Chemical Society, Vol. 141, Núm. 36, pp. 14306-14316

  2. Looking at the "water-in-Deep-Eutectic-Solvent" System: A Dilution Range for High Performance Eutectics

    ACS Sustainable Chemistry and Engineering, Vol. 7, Núm. 21, pp. 17565-17573

2018

  1. Influence of Flexibility on the Separation of Chiral Isomers in STW-Type Zeolite

    Chemistry - A European Journal, Vol. 24, Núm. 16, pp. 4121-4132

  2. Stepped Propane Adsorption in Pure-Silica ITW Zeolite

    Langmuir, Vol. 34, Núm. 16, pp. 4774-4779

  3. The Si-Ge substitutional series in the chiral STW zeolite structure type

    Journal of Materials Chemistry A, Vol. 6, Núm. 31, pp. 15110-15122

  4. Zeolites for CO2-CO-O2 Separation to Obtain CO2-Neutral Fuels

    ACS Applied Materials and Interfaces, Vol. 10, Núm. 24, pp. 20512-20520

2017

  1. Tuning the separation properties of zeolitic imidazolate framework core-shell structures: Via post-synthetic modification

    Journal of Materials Chemistry A, Vol. 5, Núm. 48, pp. 25601-25608

2016

  1. Adsorption of n-Alkanes in MFI and MEL: Quasi-Equilibrated Thermodesorption Combined with Molecular Simulations

    Journal of Physical Chemistry C, Vol. 120, Núm. 44, pp. 25338-25350

  2. Controlling thermal expansion: A metal-organic frameworks route

    Chemistry of Materials, Vol. 28, Núm. 22, pp. 8296-8304

  3. Critical Role of Dynamic Flexibility in Ge-Containing Zeolites: Impact on Diffusion

    Chemistry - A European Journal, Vol. 22, Núm. 29, pp. 10036-10043

  4. Impact of the Nature of Exchangeable Cations on LTA-Type Zeolite Hydration

    Journal of Physical Chemistry C, Vol. 120, Núm. 40, pp. 23254-23261