Molecular Rotational Dynamics in Mixed CH4–CO2 Hydrates: Insights from Molecular Dynamics Simulations

Autor:	S. Michelle Everett, Marshall T. McDonnell, Matthew G. Tucker, David J. Keffer, Bernadette R. Cladek, Claudia J. Rawn
Rok vydání:	2019
Předmět:	Materials science Physics::Instrumentation and Detectors Clathrate hydrate 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials Molecular dynamics General Energy Chemical physics Molecule Astrophysics::Earth and Planetary Astrophysics Physics::Chemical Physics Physical and Theoretical Chemistry 0210 nano-technology Rotational dynamics Physics::Atmospheric and Oceanic Physics
Zdroj:	The Journal of Physical Chemistry C. 123:26251-26262
ISSN:	1932-7455 1932-7447
Popis:	The impact of guest molecule composition on the rotational dynamics in CH4, CO2, and mixed CH4–CO2 gas hydrates is investigated with classical molecular dynamics simulations. Rotational autocorrela...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::42cb52b75feb0532d2ff7b1705e26ddb https://doi.org/10.1021/acs.jpcc.9b06242 Zobrazit plný text záznamu