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States of Water
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Water freezes when the intermolecular forces are greater than the kinetic energy. Unlike most other substances, water is less dense in its solid state than in its liquid state. This is because each water molecule can form...
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The Water Cycle
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Water and Mineral Acquisition
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Quality of Water
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水 は の よう な 液体
1Faculty of Chemistry and Chemical Technology , University of Ljubljana , Večna pot 113 , Ljubljana SI-1000 , Slovenia.
Journal of the American Chemical Society
|November 22, 2018
まとめ
水の水素結合 (HB) とレナード・ジョーンズ (LJ) 相互作用が,その物理的性質をどのように決定するのか,新しい統計的機械モデルが明らかにしている. この分析モデル"ケージウォーター"は 水の振る舞いを正確に予測し 異常な性質を洞察します
科学分野:
- 物理化学
- 統計的メカニズム
- 凝縮物質物理学
背景:
- 液体の水の物理的性質は まだ十分に理解されていません
- 既存のモデルでは 水の異常な行動や 構造と性質の関係について 完全に説明できません
研究 の 目的:
- 液体の水の予測的な統計的機械モデルを開発する.
- 水のエネルギー,体積,および異常特性を支配する分子メカニズムを解明する.
- "二重密度の液体"という 水の構造のパラダイムに挑戦するためです
主な方法:
- 分析モデル"ケージウォーター"の導入
- 水素結合 (HB) とレナード・ジョーンズ (LJ) の相互作用を組み込む.
- 水の既知のエネルギー,体積,および異常特性に対する検証
主要な成果:
- "ケージウォーター"モデルは 水の物理的性質を正確に予測します
- 新しい対抗性を特定しました 水対水 HBsは密度を高め,協力的なケージ HBsは開放性を高めます
- このバランスの温度と圧力の依存性を証明し,超冷却水の液体-液体相移行を説明した.
結論:
- カージウォーターモデルは 計算上効率的で正確な 液体の水の理解の枠組みを提供します
- "2密度の液体"概念とは異なる,水の構造-特性関係の新しい分子基盤を明らかにした.
- 地質物理学,生物分子モデリング,水浄化,グリーン化学の材料科学の潜在的応用


