Ab Initio Molecular Dynamics Simulation Diffusion Mechanism of .OH Radical in Liquid Water

• 作者: Yang Wei Ma Qiufeng Li Wenjian Jin Genming Wang Xiao Dang Bingrong Xiao Guoqing
• 来源期刊: 近代物理研究所和兰州重离子加速器实验室年报：英文版
• 学科: 地球科学
• 关键词: 分子动力学模拟 液态水 氢氧自由基 扩散机制 从头计算 大气化学 地球表面 粒子辐射
• 年，卷（期）: 2004,（1）
• 页码范围: 30
• 页数: 1页
• 分类号: P185.3

摘要

<正>Water occupies over 70% in a cell and clouds cover approximately 60% of the earth's surface. The radiation of high-energy particles (γray, heavy ions, election) on liquid water generate copious quantities hydroxyl radial (OH). The OH which is open shell radial species initiates many of the cycle of the chemistry of atmosphere and governs many chemical and biological processes in nature. Due to difficulties in direct measurements of