New force field for GCMC simulations of D2/H2 quantum sieving in pure silica zeolites-Reference-Cited by-同舟云学术

New force field for GCMC simulations of D2/H2 quantum sieving in pure silica zeolites

Published:2020 Issue:42 Volume:22 Page:24561-24571
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Radola Bastien¹²³⁴,Giraudet Maxence¹²³⁴⁵,Bezverkhyy Igor¹²³⁴,Simon Jean Marc¹²³⁴,Salazar José-Marcos¹²³⁴,Macaud Mathieu⁵⁶⁷⁸⁴,Bellat Jean Pierre¹²³⁴^ORCID

Affiliation:

1. Laboratoire Interdisciplinaire Carnot de Bourgogne

2. UMR 6303 CNRS-Université de Bourgogne Franche-Comté

3. 21078 Dijon Cedex

4. France

5. CEA

6. DAM

7. VALDUC

8. F-21120 Is-sur-Tille

Abstract

A new force field for GCMC simulations of quantum sieving of H₂ and D₂ in silica zeolites.

Funder

Commissariat à l'Énergie Atomique et aux Énergies Alternatives

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP03871G

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5. Quantum Effect-Mediated Hydrogen Isotope Mixture Separation in Slit Pore Nanoporous Materials

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