Computer simulation of Cl^aaa hydration in anionaaawater clusters

详细信息    查看全文

• 作者：Shevkunov ; Sergey V. ; Lukyanov ; Sergey I. ; Leyssale ; Jean-Marc ; Millot ; Claude
• 关键词：Bicanonical Monte Carlo ; Ion??????water cluater ; Gibbs free energy
• 刊名：Chemical Physics
• 出版年：2005
• 出版时间：April 4, 2005
• 年：2005
• 卷：310
• 期：1-3
• 页码：97-107
• 全文大小：516 K

文摘

The formation of the hydration shell of chloride ion at room temperature and at a polar stratosphere temperature has been studied by Monte Carlo simulations. Gibbs free energy, entropy and formation work of Cl^aaa(H₂O)_n, n