| 混合超临界流体的密度及分子间相互作用 |
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| 引用本文： | 石磊,张小岗,张喜丰,杨冠英,韩布兴,闫海科.混合超临界流体的密度及分子间相互作用[J].物理化学学报,2000,16(1):31-35. |
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| 作者姓名： | 石磊 张小岗 张喜丰 杨冠英 韩布兴 闫海科 |
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| 作者单位： | Institute of Chemistry,Chinese Academy of Science,Beijing 100080 |
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| 基金项目： | 国家自然科学基金!29633020 |
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| 摘 要： | 在３０８．１５Ｋ、６－１２ＭＰａ范围内，测定了ＣＯ２及ＣＯ２－正戊烷、ＣＯ２－正庚烷二元混合流体的密度，并计算了溶质的偏摩尔体积．在此基础上，将偏摩尔体积与ＭｏｎｔｅＣａｒｌｏ分子模拟研究相结合，研究了ＣＯ２－正戊烷、ＣＯ２－正庚烷二元系中的分子间相互作用和溶液的结构随压力和密度的变化．
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| 关 键 词： | 超临界流体 密度 偏摩尔体积 分子相互作用 分子模拟 溶液结构 |
| 收稿时间： | 1999-03-19 |
| 修稿时间： | 1999-06-10 |
Study of Molecular Interaction in Mixed Supercritical Fluids by Molecular Simulation and Partial Molar Volume Measurement |
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| Shi Lei,Zhang Xiaogang,Zhang Xifeng,Yang Guanying,Han Buxing,Yan Haike.Study of Molecular Interaction in Mixed Supercritical Fluids by Molecular Simulation and Partial Molar Volume Measurement[J].Acta Physico-Chimica Sinica,2000,16(1):31-35. |
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| Authors: | Shi Lei Zhang Xiaogang Zhang Xifeng Yang Guanying Han Buxing Yan Haike |
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| Institution: | Institute of Chemistry,Chinese Academy of Science,Beijing 100080 |
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| Abstract: | The densities of the mixtures of CO_2- n-pentane and CO_2- n-heptane were determined at 308. 15 K under the pressure range from 7 to 12 MPa. The partial molar volumes of the solutes were calculated. Intermolecular interaction between CO_2 and the solutes was studied based on the partial molar volume data and Monte Carlo simulation. |
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| Keywords: | Supercritical fluid Density Partial molar volume Molecular interaction Molecular simulation Solution structure |
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