default author photo

David Dubbeldam

University of Amsterdam

Spui 21

Amsterdam, 1018 WB

Netherlands

  • University of Amsterdam

SCHOLARLY PAPERS

5

DOWNLOADS

196

TOTAL CITATIONS

0

Scholarly Papers (5)

Actions:
Email selected abstracts
1.

Synthesis of Formic Acid from Carbon Dioxide by Hydrogenation Using Metal-Organic Frameworks: A Molecular Simulation Study

Number of pages: 46 Posted: 22 Feb 2023
Dominika O. Wasik, Ana Martin-Calvo, Juan José Gutiérrez-Sevillano, David Dubbeldam, Thijs J. H. Vlugt and Sofia Calero
Eindhoven University of Technology (TUE), affiliation not provided to SSRN, Universidad Pablo de Olavide, University of Amsterdam, Delft University of Technology and Eindhoven University of Technology (TUE)
Downloads 54 (1,020,567)

Abstract:

Loading...

formic acid, CO2 hydrogenation, Metal-organic frameworks, Confinement effect, Molecular simulations

2.

Kinetics of Zeolite-Catalyzed Heptane Hydroisomerization and Hydrocracking with Cbmc-Modeled Adsorption Terms: Zeolite Beta as a Large Pore Base Case

Number of pages: 41 Posted: 02 Aug 2022
Umang Agarwal, Marcello Rigutto, Erik Zuidema, A.P.J. Jansen, Ali Poursaeidesfahani, Shrinjay Sharma, David Dubbeldam and Thijs J. H. Vlugt
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Delft University of Technology, Delft University of Technology, University of Amsterdam and Delft University of Technology
Downloads 42 (1,157,785)

Abstract:

Loading...

shape selectivity, zeolite catalysis, bifunctional catalysis, hydroisomerization, hydrocracking, molecular simulation

3.

A Simulation Study of Linker Vacancy Distribution and its Effect on Uio-66 Stability

Number of pages: 11 Posted: 03 Aug 2023
Esteban Acuna Yeomans, Juan José Gutiérrez-Sevillano, David Dubbeldam and Sofia Calero
Eindhoven University of Technology (TUE), Universidad Pablo de Olavide, University of Amsterdam and Eindhoven University of Technology (TUE)
Downloads 35 (1,249,711)

Abstract:

Loading...

UiO-66, defect engineering, MOFs, mechanical stability, UiO-66 amorphization, elastic moduli anisotropies.

4.

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

Number of pages: 26 Posted: 01 Nov 2022
Esteban Acuna Yeomans, Sofia Calero, David Dubbeldam and Juan José Gutiérrez-Sevillano
Eindhoven University of Technology (TUE), Eindhoven University of Technology (TUE), University of Amsterdam and Universidad Pablo de Olavide
Downloads 34 (1,277,121)

Abstract:

Loading...

Metal Organic Frameworks, ZIF, ZIF-8, Elastic constants, amorphization, mechanical properties, mechanical instability, RASPA, LAMMPS, eigenmode-following, energy minimization

5.

The Impact of Metal Centers in the M-Mof-74 Series on Carbon Dioxide and Hydrogen Separation

Number of pages: 43 Posted: 02 Jan 2024
Dominika O. Wasik, José Manuel Vicent-Luna, Azahara Luna-Triguero, David Dubbeldam, Thijs J. H. Vlugt and Sofia Calero
Eindhoven University of Technology (TUE), Eindhoven University of Technology (TUE), Eindhoven University of Technology (TUE), University of Amsterdam, Delft University of Technology and Eindhoven University of Technology (TUE)
Downloads 31 (1,304,549)

Abstract:

Loading...

Monte Carlo, Molecular simulations, Metal-Organic frameworks, Adsorption, Force field