J. Gutiérrez‐Sevillano

发表

Solubility of the Precombustion Gases CO2, CH4, CO, H2, N2, and H2S in the Ionic Liquid [bmim][Tf2N] from Monte Carlo Simulations

Sayee Prasaad Balaji, T. Vlugt, M. Ramdin, 2014 .

Zeolites for the selective adsorption of sulfur hexafluoride.

M. Doblaré, S. Calero, J. Gutiérrez‐Sevillano, 2015, Physical chemistry chemical physics : PCCP.

Transferable force fields for adsorption of small gases in zeolites.

C. Ania, J. B. Parra, S. Calero, 2015, Physical chemistry chemical physics : PCCP.

Computational Approaches to Zeolite-Based Adsorption Processes

S. Calero, J. Gutiérrez‐Sevillano, J. J. Gutiérrez‐Sevillano, 2020 .

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

J. Denayer, J. Gutiérrez‐Sevillano, A. Martin-Calvo, 2019, Langmuir : the ACS journal of surfaces and colloids.

COSMO-3D: Incorporating Three-Dimensional Contact Information into the COSMO-SAC Model

K. Leonhard, T. Vlugt, J. Gutiérrez‐Sevillano, 2015 .

Effect of Room-Temperature Ionic Liquids on CO2 Separation by a Cu-BTC Metal–Organic Framework

S. Calero, J. M. Vicent‐Luna, J. Gutiérrez‐Sevillano, 2013 .

Carbon Dioxide Capture Enhanced by Pre‐Adsorption of Water and Methanol in UiO‐66

S. Calero, J. Gutiérrez‐Sevillano, W. Makowski, 2021, Chemistry.

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

S. Calero, J. Gutiérrez‐Sevillano, Francisco D. Lahoz-Martín, 2018 .

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

S. Calero, B. Gil, J. Gutiérrez‐Sevillano, 2022, Communications Chemistry.

Understanding adsorption of highly polar vapors on mesoporous MIL-100(Cr) and MIL-101(Cr): Experiments and molecular simulations

F. Kapteijn, J. Gascón, T. Vlugt, 2013 .

Evaluation of Zif-8 Flexible Force Fields for Structural and Mechanical Properties

D. Dubbeldam, J. Gutiérrez‐Sevillano, S. Calero, 2022, SSRN Electronic Journal.

π-Complexation for olefin/paraffin separation using aluminosilicates

C. Ania, J. B. Parra, S. Calero, 2020, Chemical Engineering Journal.

Selective Adsorption of Water from Mixtures with 1-Alcohols by Exploitation of Molecular Packing Effects in CuBTC

R. Krishna, S. Calero, J. Gutiérrez‐Sevillano, 2015 .

Insights on the Molecular Mechanisms of Hydrogen Adsorption in Zeolites

M. Doblaré, C. Ania, J. B. Parra, 2013 .

Critical Role of Dynamic Flexibility in Ge‐Containing Zeolites: Impact on Diffusion

S. Hamad, A. R. Ruiz-Salvador, S. Calero, 2016, Chemistry.

Zeolite screening for the separation of gas mixtures containing SO2, CO2 and CO.

M. Doblaré, C. Ania, J. B. Parra, 2014, Physical chemistry chemical physics : PCCP.

Molecular simulation investigation into the performance of Cu-BTC metal-organic frameworks for carbon dioxide-methane separations.

D. Dubbeldam, S. Calero, J. Gutiérrez‐Sevillano, 2011, Physical chemistry chemical physics : PCCP.

Enantioselective adsorption of ibuprofen and lysine in metal-organic frameworks.

T. Vlugt, D. Dubbeldam, P. Gómez-Álvarez, 2014, Chemical communications.