A molecular dynamics study of guest–host hydrogen bonding in alcohol clathrate hydrates-Reference-Cited by-同舟云学术

A molecular dynamics study of guest–host hydrogen bonding in alcohol clathrate hydrates

Published:2015 Issue:19 Volume:17 Page:12639-12647
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Hiratsuka Masaki¹²³⁴,Ohmura Ryo¹²³⁴,Sum Amadeu K.⁵⁶⁷⁸⁹,Alavi Saman¹⁰¹¹¹²¹³¹⁴,Yasuoka Kenji¹²³⁴

Affiliation:

1. Department of Mechanical Engineering

2. Keio University

3. Kohoku-ku

4. Japan

5. Center for Hydrate Research

6. Department of Chemical & Biological Engineering

7. Colorado School of Mines

8. Golden

9. USA

10. Center for Catalysis Research and Innovation

11. Department of Chemistry

12. University of Ottawa

13. Ottawa

14. Canada

Abstract

Molecular dynamics simulations showed the significant impacts of the guest–host hydrogen bonding on the cage stability and vibrational spectra of the clathrate hydrates.

Funder

Japan Society for the Promotion of Science

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C4CP05732E

Reference63 articles.

1. Potential effects of gas hydrate on human welfare

2. Carbon dioxide clathrate hydrate epitaxial growth: spectroscopic evidence for formation of the simple type-II carbon dioxide hydrate

3. Hydrogen Clusters in Clathrate Hydrate

4. Stable Low-Pressure Hydrogen Clusters Stored in a Binary Clathrate Hydrate

5. Tuning clathrate hydrates for hydrogen storage

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