Abstract
Molecular dynamics simulation has been conducted in order to obtain the fundamental understanding for the formation mechanism of CO2 clathrate-hydrate that suppresses the dissolution of liquid CO2 isolated at deep ocean floor. It was demonstrated that the H2O molecules formed a characteristic cage structure of type I clathrate around the CO2 guest molecules after 260 ps from the initial condition of H2O molecules at pressurized water state. CO2 clathrate-hydrate formation kinetics has elucidated that the interactions between the CO2 guest molecules would form a low potential region, which has an effect to suppress the H2O molecules motions in a two-dimensional plane and assist to form cage structures consisted of 5 and 6 membered rings.
Original language | English |
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Pages (from-to) | S301-S306 |
Journal | Energy Conversion and Management |
Volume | 38 |
Issue number | SUPPL. 1 |
DOIs | |
Publication status | Published - 1997 |
Keywords
- CO clathrate-hydrate
- CO sequestration in ocean
- Molecular dynamics simulation
ASJC Scopus subject areas
- Renewable Energy, Sustainability and the Environment
- Nuclear Energy and Engineering
- Fuel Technology
- Energy Engineering and Power Technology