Methanol diffusion in zeolite HY: a combined quasielastic neutron scattering and molecular dynamics simulation study-Reference-Cited by-同舟云学术

Methanol diffusion in zeolite HY: a combined quasielastic neutron scattering and molecular dynamics simulation study

Published:2016 Issue:26 Volume:18 Page:17294-17302
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

O'Malley Alexander J.¹²³⁴⁵,García Sakai Victoria⁶⁷⁸⁹⁵,Silverwood Ian P.⁶⁷⁸⁹⁵^ORCID,Dimitratos Nikolaos¹⁰¹¹¹²⁵,Parker Stewart F.¹³¹⁴⁹⁵⁶,Catlow C. Richard A.¹²³⁴⁵

Affiliation:

1. Department of Chemistry

2. Materials Chemistry

3. University College London

4. London

5. UK

6. ISIS Facility

7. STFC Rutherford Appleton Laboratory

8. Chilton

9. Oxfordshire

10. Cardiff Catalysis Institute

11. School of Chemistry

12. Cardiff University

13. The UK Catalysis Hub, Research Complex at Harwell

14. Rutherford Appleton Laboratory

Abstract

The diffusion of methanol in zeolite HY is studied using tandem quasielastic neutron scattering (QENS) experiments and molecular dynamics (MD) simulations at 300–400 K.

Funder

Engineering and Physical Sciences Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP01151A

Reference84 articles.

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3. S. Kvisle , T.Fuglerud, S.Kolboe, U.Olsbye, K. P.Lillerud and B. V.Vora, Handbook of heterogeneous catalysis, 2008