| 重质油胶体聚集结构的耗散粒子动力学模拟 |
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| 引用本文： | 张胜飞,孙丽丽,徐俊波,周涵,温浩. 重质油胶体聚集结构的耗散粒子动力学模拟[J]. 物理化学学报, 2010, 26(1): 57-65. DOI: 10.3866/PKU.WHXB20100126 |
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| 作者姓名： | 张胜飞 孙丽丽 徐俊波 周涵 温浩 |
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| 作者单位： | State Key Laboratory of Multi-Phase Complex System, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, P. R. China; Graduate University of Chinese Academy of Sciences, Beijing 100049, P. R. China; 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，国家自然科学基金创新研究群体基金 |
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| 摘 要： | 重质油是以沥青质为胶核分散于饱和油分中形成的极其复杂的胶体体系.本文采用耗散粒子动力学(DPD)方法研究重质油的胶体结构及其影响因素.根据重质油各组分的分子结构特征,构建了描述重质油组分的粗粒化模型化合物.模拟结果表明,本文构建的粗粒化模型能很好地反映重质油的胶体聚集结构.沥青质分子结构对胶体聚集结构有序性有显著影响,较高稠合程度的芳香环结构将使胶束结构有较高的有序性,烷基侧链则表现出分散作用.重质油中的胶质具有胶溶作用,胶质与沥青质的浓度比存在一个极限,当小于这个极限时,重质油将出现聚沉.
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| 关 键 词： | 重质油 胶体 多分散体系 自缔合 超分子结构 聚集结构 耗散粒子动力学 |
| 收稿时间： | 2009-08-26 |
| 修稿时间： | 2009-10-15 |
Dissipative Particle Dynamics Simulations on the Structure of Heavy Oil Aggregates |
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| ZHANG Sheng-Fei,SUN Li-Li,XU Jun-Bo,ZHOU Han,WEN Hao. Dissipative Particle Dynamics Simulations on the Structure of Heavy Oil Aggregates[J]. Acta Physico-Chimica Sinica, 2010, 26(1): 57-65. DOI: 10.3866/PKU.WHXB20100126 |
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| Authors: | ZHANG Sheng-Fei SUN Li-Li XU Jun-Bo ZHOU Han WEN Hao |
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| Affiliation: | State Key Laboratory of Multi-Phase Complex System, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, P. R. China; Graduate University of Chinese Academy of Sciences, Beijing 100049, P. R. China; Research Institute of Petroleum Processing, SINOPEC, Beijing 100083, P. R. China |
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| Abstract: | Heavy oil is an extremely complex colloidal system where asphaltenes,as the core of micelles,are dispersed in the continuous phase of other saturated fractions.We used dissipative particle dynamics(DPD) to simulate the mesoscopic colloidal structure of heavy oil and to determine its effective factors.Coarse-grained DPD model molecules were constructed in accordance with molecular structures of the component fractions in heavy oil.A modification of the standard DPD program was used to calculate the motion of... |
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| Keywords: | Heavy oil Colloid PolydisperseA system Self-association Supermolecular structure Aggregate structure Dissipative particle dynamics |
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