| 氨的氢键数的分子动力学模拟研究 |
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| 引用本文： | 黎多来,周昌林,李东凯,孙振范,冯华杰.氨的氢键数的分子动力学模拟研究[J].海南师范大学学报(自然科学版),2012,25(4):425-426,430. |
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| 作者姓名： | 黎多来 周昌林 李东凯 孙振范 冯华杰 |
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| 作者单位： | 海南师范大学化学与化工学院,海南海口,571158 |
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| 基金项目： | 海南省自然科学基金项目（212014）;海南师范大学博士教授科研启动基金（00203020218） |
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| 摘 要： | 采用分子动力学模拟方法研究了氨在较宽温度和压力范围的氢键数.氢键数随压力的升高而增大,随温度的升高而减小.另一方面,氢键数受温度的影响比受压力的影响更明显.
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| 关 键 词： | 氨 高压 氢键 分子动力学模拟 |
Molecular Dynamics Simulation of Hydrogen Bond Numbers in Ammonia |
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| LI Duolai,ZHOU Changlin,LI Dongkai,SUN Zhenfan,FENG Huajie.Molecular Dynamics Simulation of Hydrogen Bond Numbers in Ammonia[J].Journal of Hainan Normal University:Natural Science,2012,25(4):425-426,430. |
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| Authors: | LI Duolai ZHOU Changlin LI Dongkai SUN Zhenfan FENG Huajie |
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| Institution: | (College of Chemistry and Chemical Engineering,Hainan Normal University,Haikou 571158, China) |
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| Abstract: | The hydrogen bond numbers of ammonia over wide range of temperature and pressure have been studied by molecular dynamics simulation. The hydrogen bond number increases as the pressure increases, while it decreases with the temperature increasing. On the other hand, the hydrogen bond number is more affected by temperature than pressure. |
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| Keywords: | ammonia high pressure hydrogen bond molecular dynamics simulation |
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