高圧力の科学と技術
Online ISSN : 1348-1940
Print ISSN : 0917-639X
ISSN-L : 0917-639X
特集:高圧流体の物性と反応
エネルギー分散X線回折とEPSR法による高温高圧水の構造解析
吉田 亨次藤村 恒児内 和哉片山 芳則山口 敏男
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2013 年 23 巻 4 号 p. 309-318

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Water structure under high-pressure and high-temperature conditions has been revealed by X-ray diffraction and empirical potential structure refinement (EPSR) modeling. X-ray diffraction measurements of water at temperatures (298 K/30 MPa, 473 K/30 MPa and 573 K/30 MPa) and at high pressures (298 K/1 GPa, 473 K/0.35 GPa and 486 K/4 GPa) were performed on energy-dispersive type X-ray diffractometers in laboratory and in a synchrotron radiation facility, respectively. The EPSR modeling using the experimental diffraction data generated three dimensional structure of water including the position of hydrogen atoms. With decreasing density, the coordination number of water molecule decreases at high temperatures. Pressure bends the hydrogen bonds between water molecules and makes the water structure under high-pressure condition similar to that of simple liquid (Ar, Hg, etc.) The unique properties of water under extreme conditions (supercritical and high-pressure conditions) would originate from the change of hydrogen bonds between water molecules and the coordination number of water.

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© 2013 日本高圧力学会
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