第一原理分子動力学法による水の物理・化学的性質のシミュレーション : 超臨界水と高圧下メタンハイドレート
寺倉, 清之;池田, 隆司;Boero, Mauro
Permalink : http://hdl.handle.net/2115/8315
Abstract
多様な状況下で多様な振る舞いを示す水の性質の解明は,長い研究の歴史にも拘らず,なお物理化学,
生物の主要な研究課題となっている.第一原理分子動力学法に基づく計算機シミュレーションによる
水の研究から,水の基本的性質,超臨界水の物理と化学,高圧下のメタンハイドレードなどについて
解説する.
Water can exhibit various properties under various conditions. Despite the long history of research, the elucidation of basic properties of water is still a central subject in physical chemistry and biology. Recent activities in the study of water are reviewed on the following subjects : 1) basic properties of water, 2) supercritical water and its role in chemical reactions, and 3) high-pressure phases of methane hydrate
Water can exhibit various properties under various conditions. Despite the long history of research, the elucidation of basic properties of water is still a central subject in physical chemistry and biology. Recent activities in the study of water are reviewed on the following subjects : 1) basic properties of water, 2) supercritical water and its role in chemical reactions, and 3) high-pressure phases of methane hydrate
FULL TEXT:PDF