Competing quantum effects in the free energy profiles and diffusion rates of hydrogen and deuterium molecules through clathrate hydrates-Reference-Cited by-同舟云学术

Competing quantum effects in the free energy profiles and diffusion rates of hydrogen and deuterium molecules through clathrate hydrates

Published:2016 Issue:47 Volume:18 Page:32169-32177
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Cendagorta Joseph R.¹²³⁴,Powers Anna¹²³⁴,Hele Timothy J. H.⁵⁶⁷⁴,Marsalek Ondrej¹⁸⁹⁴,Bačić Zlatko¹²³⁴¹⁰,Tuckerman Mark E.¹⁰¹¹¹²¹³²

Affiliation:

1. Department of Chemistry

2. New York University

3. New York

4. USA

5. Department of Chemistry and Chemical Biology

6. Cornell University

7. Ithaca

8. Stanford University

9. Stanford

10. NYU-ECNU Center for Computational Chemistry at NYU Shanghai

11. Shanghai

12. China

13. Department of Chemistry and Courant Institute of Mathematical Sciences

Abstract

Depending on the temperature, competing quantum effects are found to accelerate or decelerate the diffusion rate of hydrogen compared to deuterium in clathrates.

Funder

National Science Foundation

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/C6CP05968F

Reference82 articles.

1. Clathrate hydrates under pressure

2. Hydrogen Storage in Molecular Clathrates

3. E. D. Sloan , Clathrate hydrates of natural gases, Marcel Dekker, New York, 1998

4. Clathrate hydrates of hydrogen and neon

5. Hydrogen Clusters in Clathrate Hydrate

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