| 温度对二甲基亚砜水溶液的结构和热力学性质的影响 |
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| 引用本文： | 刘波,黄世萍,朱吉钦,王鹏,田辉平.温度对二甲基亚砜水溶液的结构和热力学性质的影响[J].物理化学学报,2011,27(2):289-294. |
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| 作者姓名： | 刘波 黄世萍 朱吉钦 王鹏 田辉平 |
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| 作者单位： | 1. Key Laboratory for Nanomaterials, Ministry of Education, Beijing University of Chemical Technology, Beijing 100029, P. R. China;
2. State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, P. R. China;
3. Research Institute of Petroleum Processing, SINOPEC, Beijing 100083, P. R. China |
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| 基金项目： | 国家自然科学基金(20876005,21076007); 国家重点基础研究发展规划项目(973)(2010CB732301)资助~~ |
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| 摘 要： | 应用参考作用格位模型理论计算了二甲基亚砜(DMSO)摩尔分数为0.002时不同温度下溶液的微观结构和热力学性质. 计算结果表明, DMSO加入到水中能够增强溶液的分子网络结构. 温度升高, 配位数减小, 溶液中分子排布趋向无序. 平均力势的波动增大表明分子间的诱导力表现为斥力. 计算得到的各种热力学性质显示: 温度升高, 溶液的熵和溶剂化自由能增加, 相互作用能和过剩化学位也增加, 即高温下溶液越来越偏离理想溶液; 空位形成能降低表明溶液分子结构在高温下更容易重组.
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| 关 键 词： | 参考作用格位模型 二甲基亚砜 微观结构 热力学性质 |
| 收稿时间： | 2010-07-21 |
| 修稿时间： | 2010-12-17 |
Effect of Temperature on the Structural and Thermodynamic Properties of Aqueous Dimethyl Sulfoxide |
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| LIU Bo,HUANG Shi-Ping,ZHU Ji-Qin,WANG Peng,TIAN Hui-Ping.Effect of Temperature on the Structural and Thermodynamic Properties of Aqueous Dimethyl Sulfoxide[J].Acta Physico-Chimica Sinica,2011,27(2):289-294. |
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| Authors: | LIU Bo HUANG Shi-Ping ZHU Ji-Qin WANG Peng TIAN Hui-Ping |
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| Institution: | 1. Key Laboratory for Nanomaterials, Ministry of Education, Beijing University of Chemical Technology, Beijing 100029, P. R. China;
2. State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, P. R. China;
3. Research Institute of Petroleum Processing, SINOPEC, Beijing 100083, P. R. China |
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| Abstract: | The structural and thermodynamic properties of aqueous dimethyl sulfoxide(DMSO) at a mole fraction of 0.002 were investigated using referenced interaction site model theory at different temperatures.The results reveal that the water network structure is enhanced by the presence of DMSO.The increased fluctuation in the potential of mean force suggests that the water-induced force is repulsive.In addition,the increased entropy of solvation and free energy of solvation imply that the randomness of the solution... |
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| Keywords: | Referenced interaction site model Dimethyl sulfoxide Microcosmic structure Thermodynamic property |
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