Llewellyn PL - Search Results

1

Adsorption mechanism of carbon dioxide in faujasites: grand canonical monte carlo simulations and microcalorimetry measurements.

Maurin G, Llewellyn PL, Bell RG. Maurin G, et al. Among authors: llewellyn pl. J Phys Chem B. 2005 Aug 25;109(33):16084-91. doi: 10.1021/jp052716s. J Phys Chem B. 2005. PMID: 16853044

2

Charge distribution in metal organic framework materials: transferability to a preliminary molecular simulation study of the CO(2) adsorption in the MIL-53 (Al) system.

Ramsahye NA, Maurin G, Bourrelly S, Llewellyn P, Loiseau T, Ferey G. Ramsahye NA, et al. Phys Chem Chem Phys. 2007 Mar 7;9(9):1059-63. doi: 10.1039/b613378a. Epub 2006 Nov 15. Phys Chem Chem Phys. 2007. PMID: 17311147

3

Molecular dynamics simulation of the cation motion upon adsorption of CO2 in Faujasite zeolite systems.

Plant DF, Maurin G, Jobic H, Llewellyn PL. Plant DF, et al. Among authors: llewellyn pl. J Phys Chem B. 2006 Jul 27;110(29):14372-8. doi: 10.1021/jp062381u. J Phys Chem B. 2006. PMID: 16854144

4

Experimental evidence supported by simulations of a very high H2 diffusion in metal organic framework materials.

Salles F, Jobic H, Maurin G, Koza MM, Llewellyn PL, Devic T, Serre C, Ferey G. Salles F, et al. Among authors: llewellyn pl. Phys Rev Lett. 2008 Jun 20;100(24):245901. doi: 10.1103/PhysRevLett.100.245901. Epub 2008 Jun 17. Phys Rev Lett. 2008. PMID: 18643600

5

Complex adsorption of short linear alkanes in the flexible metal-organic-framework MIL-53(Fe).

Llewellyn PL, Horcajada P, Maurin G, Devic T, Rosenbach N, Bourrelly S, Serre C, Vincent D, Loera-Serna S, Filinchuk Y, Férey G. Llewellyn PL, et al. J Am Chem Soc. 2009 Sep 16;131(36):13002-8. doi: 10.1021/ja902740r. J Am Chem Soc. 2009. PMID: 19697934

6

Adsorption of light hydrocarbons in the flexible MIL-53(Cr) and rigid MIL-47(V) metal-organic frameworks: a combination of molecular simulations and microcalorimetry/gravimetry measurements.

Rosenbach N Jr, Ghoufi A, Déroche I, Llewellyn PL, Devic T, Bourrelly S, Serre C, Férey G, Maurin G. Rosenbach N Jr, et al. Among authors: llewellyn pl. Phys Chem Chem Phys. 2010 Jun 28;12(24):6428-37. doi: 10.1039/c001173h. Epub 2010 May 7. Phys Chem Chem Phys. 2010. PMID: 20454715

7

On the breathing effect of a metal-organic framework upon CO(2) adsorption: Monte Carlo compared to microcalorimetry experiments.

Ramsahye NA, Maurin G, Bourrelly S, Llewellyn PL, Loiseau T, Serre C, Férey G. Ramsahye NA, et al. Among authors: llewellyn pl. Chem Commun (Camb). 2007 Aug 21;(31):3261-3. doi: 10.1039/b702986a. Epub 2007 Jun 1. Chem Commun (Camb). 2007. PMID: 17668094

8

An evaluation of UiO-66 for gas-based applications.

Wiersum AD, Soubeyrand-Lenoir E, Yang Q, Moulin B, Guillerm V, Yahia MB, Bourrelly S, Vimont A, Miller S, Vagner C, Daturi M, Clet G, Serre C, Maurin G, Llewellyn PL. Wiersum AD, et al. Among authors: llewellyn pl. Chem Asian J. 2011 Dec 2;6(12):3270-80. doi: 10.1002/asia.201100201. Epub 2011 Sep 28. Chem Asian J. 2011. PMID: 21956843

9

Adsorption Contraction Mechanics: Understanding Breathing Energetics in Isoreticular Metal-Organic Frameworks.

Krause S, Evans JD, Bon V, Senkovska I, Ehrling S, Stoeck U, Yot PG, Iacomi P, Llewellyn P, Maurin G, Coudert FX, Kaskel S. Krause S, et al. J Phys Chem C Nanomater Interfaces. 2018 Aug 23;122(33):19171-19179. doi: 10.1021/acs.jpcc.8b04549. Epub 2018 Jul 25. J Phys Chem C Nanomater Interfaces. 2018. PMID: 35601838 Free PMC article.

10

Prediction of the conditions for breathing of metal organic framework materials using a combination of X-ray powder diffraction, microcalorimetry, and molecular simulation.

Llewellyn PL, Maurin G, Devic T, Loera-Serna S, Rosenbach N, Serre C, Bourrelly S, Horcajada P, Filinchuk Y, Férey G. Llewellyn PL, et al. J Am Chem Soc. 2008 Sep 24;130(38):12808-14. doi: 10.1021/ja803899q. Epub 2008 Aug 27. J Am Chem Soc. 2008. PMID: 18729451

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