| 耗散粒子动力学中固壁模型对纳米颗粒吸附模拟的影响 |
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| 引用本文： | 黄汝佳,胡国辉,周哲玮.耗散粒子动力学中固壁模型对纳米颗粒吸附模拟的影响[J].上海大学学报(自然科学版),2014,20(3):337-347. |
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| 作者姓名： | 黄汝佳 胡国辉 周哲玮 |
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| 作者单位： | 上海大学上海市应用数学和力学研究所, 上海200072 |
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| 基金项目： | 国家自然科学基金资助项目(11372175) |
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| 摘 要： | 耗散粒子动力学(dissipative particle dynamics, DPD)方法是模拟介观流动的有力工具. 模拟中常用的FCC (face centered cubic) 固壁模型会在壁面附近产生虚假的流体密度波动. 作为纳米颗粒吸附问题的关键区域, 这个现象不可忽略. 采用随机壁面模型模拟纳米颗粒吸附问题, 并就壁面附近液体密度分布和纳米颗粒吸附的模拟与传统的FCC 壁面模型进行了比较.
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| 关 键 词： | 固壁模型 纳米颗粒 吸附 耗散粒子动力学 |
| 收稿时间： | 2013-05-14 |
Effect of Solid Wall Model on Simulation of Nanoparticle Adsorption in Dissipative Particle Dynamics |
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| HUANG Ru-jia,HU Guo-hui,ZHOU Zhe-wei.Effect of Solid Wall Model on Simulation of Nanoparticle Adsorption in Dissipative Particle Dynamics[J].Journal of Shanghai University(Natural Science),2014,20(3):337-347. |
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| Authors: | HUANG Ru-jia HU Guo-hui ZHOU Zhe-wei |
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| Institution: | Shanghai Institute of Applied Mathematics and Mechanics, Shanghai University, Shanghai 200072, China |
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| Abstract: | Dissipative particle dynamics (DPD) is a powerful tool in mesoscopic flow simulation. Commonly used model of face centered cubic (FCC) wall causes false density fluctuations near the wall. As critical regions of nanoparticle adsorption, this phenomenon cannot be ignored. This paper uses a random wall model in the simulation of nanoparticle adsorption, and compares it with the FCC wall model in the density distribution and nanoparticle adsorption simulation. |
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| Keywords: | adsorption nanoparticle solid wall model dissipative particle dynamics (DPD) |
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