Dissipative Particle Dynamics Simulation on Bonding Reaction Between Surface Modified Nanoparticles
来源期刊：Journal Of Wuhan University Of Technology Materials Science Edition2019年第1期
论文作者：唐伟 陈鹏 FENG Xiaoshuang XIA Ru QIAN Jiasheng CAO Ming SU Lifen MIAO Jibin
文章页码：91 - 97
摘 要：A simulation study was carried out by using dissipative particle dynamics(DPD) method to explore the effects of properties of coating chains, such as length, density, rigidity of polymer chains, as well as the distance between nanoparticles on bonding reaction of coating chains grafted onto nanoparticles. The results show that bonding ratios of coated chains strongly depend on the length and density of coating chains. For nanoparticles with different coating densities, the optimum chain length for bonding reaction are varied. The rigidity of coating chains exhibits vigorous effects on bonding reaction that highly depends on chain lengths. DPD simulation can be used to study the bonding reaction between coated nanoparticles, which may help experimental synthesis of nanocomposites with excellent properties.
唐伟1，陈鹏1，FENG Xiaoshuang2，XIA Ru1，QIAN Jiasheng1，CAO Ming1，SU Lifen1，MIAO Jibin1
1. Anhui Province Key Laboratory of Environment-friendly Polymer Materials, School of Chemistry and Chemical Engineering, Anhui University2. Division of Physical Sciences and Engineering, King Abdullah University of Science and Technology(KAUST)
摘 要：A simulation study was carried out by using dissipative particle dynamics(DPD) method to explore the effects of properties of coating chains, such as length, density, rigidity of polymer chains, as well as the distance between nanoparticles on bonding reaction of coating chains grafted onto nanoparticles. The results show that bonding ratios of coated chains strongly depend on the length and density of coating chains. For nanoparticles with different coating densities, the optimum chain length for bonding reaction are varied. The rigidity of coating chains exhibits vigorous effects on bonding reaction that highly depends on chain lengths. DPD simulation can be used to study the bonding reaction between coated nanoparticles, which may help experimental synthesis of nanocomposites with excellent properties.
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