| 丁二酰亚胺类分散剂在伪烟炱表面吸附行为的分子动力学模拟 |
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| 引用本文： | 魏克成,温浩,周涵,徐未,许志宏. 丁二酰亚胺类分散剂在伪烟炱表面吸附行为的分子动力学模拟[J]. 计算机与应用化学, 2005, 22(1): 11-15 |
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| 作者姓名： | 魏克成 温浩 周涵 徐未 许志宏 |
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| 作者单位： | 中国科学院过程工程研究所多相反应重点实验室,北京,100080;石油化工科学研究院,北京,100083 |
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| 基金项目： | 国家自然科学基金(20273075,20221603,20303022) |
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| 摘 要： | 丁二酰亚胺类分散剂是一种典型的用于各种润滑油中的无灰分散剂。由于烟炱颗粒结构的复杂性，从实验研究的角度对分散剂的作用机理尚未给出满意的解释。本文应用分子动力学模拟方法，研究了丁二酰亚胺类分散剂模型分子在伪烟炱表面的吸附行为。模拟结果可以为分散剂的分子设计提供参考。
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| 关 键 词： | 丁二酰亚胺 分散剂 分子动力学 烟炱 |
| 文章编号： | 1001-4160(2005)01-11-15 |
The adsorption behaviors of succinimide dispersants on pseudo-soot surface by molecular dynamics simulation |
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| WEI KeCheng,WEN Hao,ZHOU Han,XU Wei,XU ZhiHong. The adsorption behaviors of succinimide dispersants on pseudo-soot surface by molecular dynamics simulation[J]. Computers and Applied Chemistry, 2005, 22(1): 11-15 |
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| Authors: | WEI KeCheng WEN Hao ZHOU Han XU Wei XU ZhiHong |
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| Affiliation: | WEI KeCheng~1,WEN Hao~1,ZHOU Han~2,XU Wei~2 and XU ZhiHong~1 |
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| Abstract: | Succinimide dispersants are typical ashless dispersants in various lubricants. Due to the complex structure of soot particles, there were no satisfying explanations for dispersants' dispersancy from the experiment study. Molecular Dynamics simulation was used in this paper to study the adsorption behaviors of various succinimide dispersants on pseudo-soot surface. Simulation results can give reference to the molecular design of dispersants. |
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| Keywords: | succinimide dispersant molecular dynamics soot |
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