| 部分水解的疏水改性聚丙烯酰胺分子构型与体相行为的关系 |
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| 引用本文： | 袁瑞,李英,方洪波,王玮.部分水解的疏水改性聚丙烯酰胺分子构型与体相行为的关系[J].物理化学学报,2013,29(4):706-714. |
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| 作者姓名： | 袁瑞 李英 方洪波 王玮 |
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| 作者单位： | 1.Key Laboratory for Colloid and Interface Chemistry, Ministry of Education, Shandong University, Jinan 250100, P. R. China;2.Design Institute, Shengli Oilfield, Dongying 257015, Shandong Province, P. R. China |
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| 基金项目： | 国家自然科学基金(21173134);国家科技重大专项(2008ZX05011-002)资助项目~~ |
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| 摘 要： | 采用介观模拟耗散颗粒动力学(DPD)方法研究分子构型变化对聚电解质疏水改性聚丙烯酰胺(HMHPAM)在水溶液中的行为和性质的影响. 模拟中采用均方根末端距量化表征聚合物的伸展程度, 并通过计算溶液中水分子的扩散系数考察大分子形态和构型变化对体系粘度的影响, 探讨了聚合物的浓度、聚合方式、疏水改性比例及水解程度对聚合物溶液的影响机制, 预测了重复单元的种类和排列方式对聚合物构型和溶液性质的影响规律, 为HMHPAM聚合物的分子设计、合成及应用提供指导.
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| 关 键 词： | 部分水解的疏水改性聚丙烯酰胺 分子构型 均方根末端距 扩散系数 耗散颗粒动力学模拟 |
| 收稿时间： | 2012-10-26 |
| 修稿时间： | 2013-01-31 |
Relationship between Molecular Configuration and Phase Behavior of Partially Hydrolyzed Hydrophobically Modified Polyacrylamide |
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| YUAN Rui,LI Ying, FANG Hong-Bo,WANG Wei.Relationship between Molecular Configuration and Phase Behavior of Partially Hydrolyzed Hydrophobically Modified Polyacrylamide[J].Acta Physico-Chimica Sinica,2013,29(4):706-714. |
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| Authors: | YUAN Rui LI Ying FANG Hong-Bo WANG Wei |
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| Institution: | 1.Key Laboratory for Colloid and Interface Chemistry, Ministry of Education, Shandong University, Jinan 250100, P. R. China;2.Design Institute, Shengli Oilfield, Dongying 257015, Shandong Province, P. R. China |
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| Abstract: | The relationship between the molecular configuration and bulk behavior of partially hydrolyzed hydrophobically modified polyacrylamide (HMHPAM) in aqueous solution was studied via dissipative particle dynamics (DPD) simulation. The influence of the polymer concentration, polymerization process, degree of hydrolysis, and the hydrophobic modified group of HMHPAM on the polymer solution, especially the extent of expansion of the polymer and the viscosity of the polymer solution, were investigated quantitatively by calculating the root-mean-square (RMS) end-to-end distance of the polymer and the water molecule diffusivity. The influencing mechanisms of the type and the arrangement of the repeating unit of the polymer chains on the HMHPAM solution properties were studied to direct the practical synthesis, modification, and application of the polymer. |
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| Keywords: | Partially hydrolyzed hydrophobically modified polyacrylamide Molecular configuration RMS end-to-end distance Diffusivity Dissipative particle dynamics simulation |
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