报告题目：computational aided development of mof based membranes for gas separation
报告时间：2024年7月25日9：00
报告地点：16-921
报告人：Guillaume MAURIN
邀请人：陈邦林
报告人简介：
Guillaume MAURIN，1999-2001: PhD in Physical Chemistry “Interactions between alkali cations & porous solids : case of the Na+/zeolite & Li+/carbon nanotube”, Université Montpellier 2 (France), with honors.
2001-2002: Marie Curie Individual Fellowship Postdoctoral Research Assistant “Modelling gas & vapour adsorption in zeolites”, The Davy Faraday Research Laboratory, Royal Institution of Great Britain, London (UK).
04/2011- : Full Professor in Physical Chemistry, ICGM UMR 5253 CNRS Université Montpellier- Institut Universitaire de France.
Thematic research Area:
1. Adsorption & diffusion of confined species (gas, vapors, drugs) in inorganic (zeolites), organic (rubbery organic frameworks) & hybrid (MOFs) porous materials: High-throughput screening, Understanding & Rationalization via forcefield Monte Carlo & Molecular Dynamics, quantum calculations and statistical tools
2. Stimuli (guest adsorption, thermal, mechanical and electrical) structure responsive behaviors of flexible MOFs: Flexible Force field and hybrid Monte Carlo/Molecular Dynamics methodology development.
3. Structure prediction of MOF materials: Development of “automated assembly of secondary building units” software
4. Exploration of the solid/solid and solid/gas interface in MOF-based composites (MOF/polymer, MOF/graphene oxide) towards the exploration of mixed matrix membranes for gas separation: Development of an integrated computational approach implementing force field Molecular Dynamics and quantum calculations tools.
5. Catalysis by MOFs: quantum calculations.
报告简介：
computational aided development of mof based membranes for gas separation
代表性论文：
[1] L. Zhou, P. Brântuas, A. Henrique, H. Reinsch, M. Wahiduzzaman, J.-M. Grenèche, A. E. Rodrigues, J. A. C. Silva*, G. Maurin*, C. Serre*, A Microporous Multi-Cage Metal-Organic Framework for an Effective One-Step Separation of Branched Alkanes Feeds. Angew. Chem. Int. Ed. 2024, 63, e202320008.
[2] Fan, D., Naskar, S., Maurin, G*. Unconventional mechanical and thermal behaviours of MOF CALF-20. Nat. Commun. 2024, 15, 3251.
[3] T. J. Matemb Ma Ntep, M. Wahiduzzaman, E. Laurenz, I. Cornu, G. Mouchaham*, I. Dovgaliuk, S. Nandi, K. Knop, C. Jansen, F. Nouar, P. Florian, G. Füldner, G. Maurin*, C. Janiak*, C. Serre*, When Polymorphism in Metal–Organic Frameworks Enables Water Sorption Profile Tunability for Enhancing Heat Allocation and Water Harvesting Performance. Adv. Mater. 2024, 36, 2211302.
[4] B. Chen, D. Fan, R. V. Pinto, I. Dovgaliuk, S. Nandi, D. Chakraborty, N. García-Moncada, A. Vimont, C. J. McMonagle, M. Bordonhos, A. Al Mohtar, I. Cornu, P. Florian, N. Heymans, M. Daturi, G. De Weireld, M. Pinto, F. Nouar, G. Maurin*, G. Mouchaham*, C. Serre*, A Scalable Robust Microporous Al-MOF for Post-Combustion Carbon Capture. Adv. Sci. 2024, 11, 2401070.
[5] B. Achenbach, E. S. Grape, M. Wahiduzzaman, S. K. Pappler, M. Meinhart, R. Siegel, G. Maurin*, J. Senker*, A. K. Inge*, N. Stock*, Porous Salts Containing Cationic Al24-Hydroxide-Acetate Clusters from Scalable, Green and Aqueous Synthesis Routes. Angew. Chem. Int. Ed. 2023, 62, e202218679.
[6] S. Zhou, O. Shekhah, A. Ramírez, P. Lyu, E. Abou-Hamad, J. Jia, J. Li, P. M. Bhatt, Z. Huang, H. Jiang, T. Jin, G. Maurin, J. Gascon & M. Eddaoudi, Asymmetric pore windows in MOF membranes for natural gas valorization. Nature, 2022, 606, 706.
[7] S. Datta, A. Mayoral, N. Bettahalli, P. M. Bhatt, M. Karunakaran, I. D. Carja, D. Fan, P. G. M. Mileo, R. Semino, G. Maurin, O. Terasaki, M. Eddaoudi. Rational design of mixed-matrix metal-organic framework membranes for molecular separations.Science, 2022, 376, 1080.
