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      Elasticity and Stability of Clathrate Hydrate: Role of Guest Molecule Motions.

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          Abstract

          Molecular dynamic simulations were performed to determine the elastic constants of carbon dioxide (CO2) and methane (CH4) hydrates at one hundred pressure-temperature data points, respectively. The conditions represent marine sediments and permafrost zones where gas hydrates occur. The shear modulus and Young's modulus of the CO2 hydrate increase anomalously with increasing temperature, whereas those of the CH4 hydrate decrease regularly with increase in temperature. We ascribe this anomaly to the kinetic behavior of the linear CO2 molecule, especially those in the small cages. The cavity space of the cage limits free rotational motion of the CO2 molecule at low temperature. With increase in temperature, the CO2 molecule can rotate easily, and enhance the stability and rigidity of the CO2 hydrate. Our work provides a key database for the elastic properties of gas hydrates, and molecular insights into stability changes of CO2 hydrate from high temperature of ~5 °C to low decomposition temperature of ~-150 °C.

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          Most cited references54

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          Fundamental principles and applications of natural gas hydrates.

          E Sloan (2003)
          Natural gas hydrates are solid, non-stoichiometric compounds of small gas molecules and water. They form when the constituents come into contact at low temperature and high pressure. The physical properties of these compounds, most notably that they are non-flowing crystalline solids that are denser than typical fluid hydrocarbons and that the gas molecules they contain are effectively compressed, give rise to numerous applications in the broad areas of energy and climate effects. In particular, they have an important bearing on flow assurance and safety issues in oil and gas pipelines, they offer a largely unexploited means of energy recovery and transportation, and they could play a significant role in past and future climate change.
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            Vapor–liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen

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              Gas hydrates-geological perspective and global change

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                Author and article information

                Journal
                Sci Rep
                Scientific reports
                Springer Nature
                2045-2322
                2045-2322
                May 02 2017
                : 7
                : 1
                Affiliations
                [1 ] Environment and Resource System Engineering, Kyoto University, Kyoto, 615-8540, Japan.
                [2 ] International Institute for Carbon-Neutral Energy Research (I2CNER), Kyushu University, Fukuoka, 819-0395, Japan.
                [3 ] Environment and Resource System Engineering, Kyoto University, Kyoto, 615-8540, Japan. liang@race.u-tokyo.ac.jp.
                [4 ] Center for Engineering, Research into Artifacts (RACE), the University of Tokyo, Chiba, 277-8568, Japan. liang@race.u-tokyo.ac.jp.
                [5 ] Department of Earth Resources Engineering, Kyushu University, Fukuoka, 819-0395, Japan.
                [6 ] Environment and Resource System Engineering, Kyoto University, Kyoto, 615-8540, Japan. murata.sumihiko.6v@kyoto-u.ac.jp.
                [7 ] Fukada Geological Institute, Tokyo, 113-0021, Japan.
                Article
                10.1038/s41598-017-01369-0
                10.1038/s41598-017-01369-0
                5431056
                28465527
                b923b91a-2e93-4eb4-b0df-cce0c00fb7b9
                History

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