Local pressure and density distribution in methane hydrateice Ih system
作者单位：Institute of Inorganic ChemistrySB RASNovosibirskRussia Research Institute for Computational SciencesNational Institute of Advanced Industrial Science and Technology （AIST）TsukubaJapan Institute of Inorganic ChemistrySB RASNovosibirskRussia Center for Northeast Asia Studies of Tohoku UniversitySendaiJapan Center for Northeast Asia Studies of Tohoku UniversitySendaiJapan Institute for Materials ResearchTohoku UniversitySendaiJapan Institute for Materials ResearchTohoku UniversitySendaiJapan
会议名称：《Third Conference of the Asian Consortium for Computational Materials Science》
会议日期：2005年
学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学]
摘 要：正Effect of self-preservation of gas hydrates was explored over many years but there is no complete understanding how can hydrates exist in their thermodynamic instability region. We are suggesting the microscopic-level model of methane hydrate clusters immersed in ice matrix. Due to differences in thermal expansion of methane hydrate and Ice Ih the additional pressure appears in the hydrate phase and this moves it into its stability field. MD simulations were performed to find local pressure and density profiles. Results are well confirming our assumption.