Publicaciones (54) Publicaciones de Juan José Gutiérrez Sevillano

2024

  1. A simulation study of linker vacancy distribution and its effect on UiO-66 stability

    Microporous and Mesoporous Materials, Vol. 366

2023

  1. Adsorption of Carbon Dioxide in Non-Löwenstein Zeolites

    Chemistry of Materials, Vol. 35, Núm. 13, pp. 5222-5231

  2. Ammonia and water in zeolites: Effect of aluminum distribution on the heat of adsorption

    Separation and Purification Technology, Vol. 306

  3. Effect of Zeolitic Imidazolate Framework Topology on the Purification of Hydrogen from Coke Oven Gas

    ACS Sustainable Chemistry and Engineering, Vol. 11, Núm. 21, pp. 8020-8034

  4. Enhancement of formic acid production from carbon dioxide hydrogenation using metal-organic frameworks: Monte Carlo simulation study

    Chemical Engineering Journal, Vol. 467

  5. Evaluation of ZIF-8 flexible force fields for structural and mechanical properties

    Microporous and Mesoporous Materials, Vol. 348

  6. The Boost of Toluene Capture in UiO-66 Triggered by Structural Defects or Air Humidity

    Journal of Physical Chemistry Letters, Vol. 14, Núm. 24, pp. 5618-5623

2022

  1. Defect-induced tuning of polarity-dependent adsorption in hydrophobic–hydrophilic UiO-66

    Communications Chemistry, Vol. 5, Núm. 1

  2. Water adsorption in ideal and defective UiO-66 structures

    Microporous and Mesoporous Materials, Vol. 330

2021

  1. Carbon Dioxide Capture Enhanced by Pre-Adsorption of Water and Methanol in UiO-66

    Chemistry - A European Journal, Vol. 27, Núm. 59, pp. 14653-14659

  2. Metastable Zr/Hf-MOFs: The hexagonal family of EHU-30 and their water-sorption induced structural transformation

    Inorganic Chemistry Frontiers, Vol. 8, Núm. 22, pp. 4767-4779

  3. Modifying the hydrophobic nature of MAF-6

    Separation and Purification Technology, Vol. 277

  4. On the design of models for an accurate description of the water – hematite interface

    Applied Surface Science, Vol. 560

2020

  1. Computational approaches to zeolite-based adsorption processes

    Structure and Bonding (Springer Science and Business Media Deutschland GmbH), pp. 57-83

  2. Correction to: Using Aliphatic Alcohols to Tune Benzene Adsorption in MAF-6 (Advanced Theory and Simulations, (2019), 2, 11, (1900112), 10.1002/adts.201900112)

    Advanced Theory and Simulations

  3. Effect of confinement on the solubility of salt in water: a simulation study on zeolites

    Biosaia: Revista de los másteres de Biotecnología Sanitaria y Biotecnología Ambiental, Industrial y Alimentaria, Núm. 9

  4. OCEAN: An Algorithm to Predict the Separation of Biogas Using Zeolites

    Industrial and Engineering Chemistry Research, Vol. 59, Núm. 15, pp. 7212-7223

  5. Π-Complexation for olefin/paraffin separation using aluminosilicates

    Chemical Engineering Journal, Vol. 380

2019

  1. Macroscopic and Microscopic View of Competitive and Cooperative Adsorption of Alcohol Mixtures on ZIF-8

    Langmuir, Vol. 35, Núm. 11, pp. 3887-3896

  2. Modeling Gas Adsorption in Flexible Metal–Organic Frameworks via Hybrid Monte Carlo/Molecular Dynamics Schemes

    Advanced Theory and Simulations, Vol. 2, Núm. 4