Publications by the researcher in collaboration with Sofia Calero Díaz (36)

2024

  1. 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

  2. Hydrogen recovery from steam methane reforming using the ITQ-12 zeolite

    Separation and Purification Technology, Vol. 350

  3. Molecular recognition-induced structural flexibility in ZIF-71

    Journal of Materials Chemistry A, Vol. 12, Núm. 42, pp. 28975-28984

2023

  1. 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

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

    Chemical Engineering Journal, Vol. 467

2021

  1. In silico screening of zeolites for high-pressure hydrogen drying

    ACS Applied Materials and Interfaces, Vol. 13, Núm. 7, pp. 8383-8394

  2. Modifying the hydrophobic nature of MAF-6

    Separation and Purification Technology, Vol. 277

2020

  1. 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

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

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

  3. Role of hydrogen bonding in the capture and storage of ammonia in zeolites

    Chemical Engineering Journal, Vol. 387

2019

  1. Improving Ammonia Production Using Zeolites

    Biosaia: Revista de los másteres de Biotecnología Sanitaria y Biotecnología Ambiental, Industrial y Alimentaria, Núm. 8

  2. Improving Ammonia Production Using Zeolites

    Journal of Physical Chemistry C, Vol. 123, Núm. 30, pp. 18475-18481

  3. Using Aliphatic Alcohols to Tune Benzene Adsorption in MAF-6

    Advanced Theory and Simulations, Vol. 2, Núm. 11

2018

  1. Adsorption equilibrium of nitrogen dioxide in porous materials

    Physical Chemistry Chemical Physics, Vol. 20, Núm. 6, pp. 4189-4199

  2. Effect of Light Gases in the Ethane/Ethylene Separation Using Zeolitic Imidazolate Frameworks

    Journal of Physical Chemistry C, Vol. 122, Núm. 15, pp. 8637-8646

  3. Identifying Zeolite Topologies for Storage and Release of Hydrogen

    Journal of Physical Chemistry C, Vol. 122, Núm. 23, pp. 12485-12493

  4. Unravelling the influence of carbon dioxide on the adsorptive recovery of butanol from fermentation broth using ITQ-29 and ZIF-8

    Physical Chemistry Chemical Physics, Vol. 20, Núm. 15, pp. 9957-9964

2017

  1. Adsorptive separation of ethane and ethylene using IsoReticular Metal-Organic Frameworks

    Microporous and Mesoporous Materials, Vol. 248, pp. 40-45

2015

  1. Enantioselective adsorption in zeolites and metal-organic frameworks

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

  2. Transferable force fields for adsorption of small gases in zeolites

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 37, pp. 24048-24055