Publications by Miriam Jasmin Pougin

Unraveling metal effects on CO2 uptake in pyrene-based metal-organic frameworks

Berend Smit, Wendy Lee Queen, Emad Oveisi, Pascal Alexander Schouwink, Jordi Espin Marti, Yutao Li, Elias Moubarak, Miriam Jasmin Pougin, Christopher Patrick Ireland, Andres Adolfo Ortega Guerrero

Pyrene-based metal-organic frameworks (MOFs) have tremendous potential for various applications. With infinite structural possibilities, the MOF community often relies on simulations to identify the most promising candidates for given applications. Among t ...

NATURE PORTFOLIO2025

Stability Assessment in Aqueous and Organic Solvents of Metal-Organic Framework PCN 333 Nanoparticles through a Combination of Physicochemical Characterization and Computational Simulations

Berend Smit, Miriam Jasmin Pougin

Mesoporous metal-organic frameworks (MOFs) have been recognized as powerful platforms for drug delivery, especially for biomolecules. Unfortunately, the application of MOFs is restricted due to their relatively poor stability in aqueous media, which is cru ...

2024

Post-Synthetic Covalent Grafting of Amines to NH2-MOF for Post-Combustion Carbon Capture

Wendy Lee Queen, Mounir Driss Mensi, Jordi Espin Marti, Till Marian Schertenleib, Miriam Jasmin Pougin, Ilia Kochetygov, Andres Adolfo Ortega Guerrero, Anita Justin

Herein, a post-synthetic modification strategy is used to covalently graft polyamines, including ethylenediamine (ED), diethylenetriamine (DETA), tris(2-aminoethyl)amine (TAEA), and polyethyleneimine (PEI) to the amino-ligand inside of a Cr-MOF, NH2-Cr-BDC ...

Wiley-V C H Verlag Gmbh2024

Adsorption in Pyrene-Based Metal-Organic Frameworks: The Role of Pore Structure and Topology

Berend Smit, Wendy Lee Queen, Jordi Espin Marti, Miriam Jasmin Pougin, Christopher Patrick Ireland, Andres Adolfo Ortega Guerrero, Fatma Pelin Uran

Pore topology and chemistry play crucial roles in the adsorption characteristics of metal-organic frameworks (MOFs). To deepen our understanding of the interactions between MOFs and CO2 during this process, we systematically investigate the adsorption prop ...

2024

Harnessing Porous Materials for Efficient Gas Capture: A Computational Exploration of Structure, Function, and Workflow Automation

Miriam Jasmin Pougin

Industrial chemistry heavily relies on traditional separation methods which are both energy-demanding and environmentally detrimental. This thesis addresses critical separation challenges, specifically carbon capture applications and the separation of ethy ...

EPFL2024