TY - JOUR
T1 - Dissipative Particle Dynamics Simulation on Bonding Reaction Between Surface Modified Nanoparticles
AU - Tang, Wei
AU - Chen, Peng
AU - Feng, Xiaoshuang
AU - Xia, Ru
AU - Qian, Jiasheng
AU - Cao, Ming
AU - Su, Lifen
AU - Miao, Jibin
N1 - KAUST Repository Item: Exported on 2020-10-01
PY - 2019/2/18
Y1 - 2019/2/18
N2 - 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.
AB - 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.
UR - http://hdl.handle.net/10754/631586
UR - https://link.springer.com/article/10.1007%2Fs11595-019-2020-3
UR - http://www.scopus.com/inward/record.url?scp=85061800694&partnerID=8YFLogxK
U2 - 10.1007/s11595-019-2020-3
DO - 10.1007/s11595-019-2020-3
M3 - Article
SN - 1000-2413
VL - 34
SP - 91
EP - 97
JO - Journal of Wuhan University of Technology-Mater. Sci. Ed.
JF - Journal of Wuhan University of Technology-Mater. Sci. Ed.
IS - 1
ER -