Juan José
Gutiérrez Sevillano
Publications (57) Juan José Gutiérrez Sevillano publications
2024
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A simulation study of linker vacancy distribution and its effect on UiO-66 stability
Microporous and Mesoporous Materials, Vol. 366
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Effect of water loading on the stability of pristine and defective UiO-66
Journal of Materials Chemistry A
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Halogen-Decorated Metal-Organic Frameworks for Efficient and Selective CO2 Capture, Separation, and Chemical Fixation with Epoxides under Mild Conditions
ACS Applied Materials and Interfaces
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High Selectivity and Adsorption Capacity of Cation-Exchanged Zeolites for Biogas, Syngas, and Flue Gas Separation in a Pressure Swing Adsorption Unit
ACS Applied Energy Materials, Vol. 7, Núm. 15, pp. 6488-6498
2023
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Adsorption of Carbon Dioxide in Non-Löwenstein Zeolites
Chemistry of Materials, Vol. 35, Núm. 13, pp. 5222-5231
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Ammonia and water in zeolites: Effect of aluminum distribution on the heat of adsorption
Separation and Purification Technology, Vol. 306
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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
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Enhancement of formic acid production from carbon dioxide hydrogenation using metal-organic frameworks: Monte Carlo simulation study
Chemical Engineering Journal, Vol. 467
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Evaluation of ZIF-8 flexible force fields for structural and mechanical properties
Microporous and Mesoporous Materials, Vol. 348
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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
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Defect-induced tuning of polarity-dependent adsorption in hydrophobic–hydrophilic UiO-66
Communications Chemistry, Vol. 5, Núm. 1
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Water adsorption in ideal and defective UiO-66 structures
Microporous and Mesoporous Materials, Vol. 330
2021
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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
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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
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Modifying the hydrophobic nature of MAF-6
Separation and Purification Technology, Vol. 277
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On the design of models for an accurate description of the water – hematite interface
Applied Surface Science, Vol. 560
2020
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Computational approaches to zeolite-based adsorption processes
Structure and Bonding (Springer Science and Business Media Deutschland GmbH), pp. 57-83
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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
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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
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OCEAN: An Algorithm to Predict the Separation of Biogas Using Zeolites
Industrial and Engineering Chemistry Research, Vol. 59, Núm. 15, pp. 7212-7223