Effect of surface coupling agents on the mechanical behaviour of polypropylene/silica composites: a molecular dynamics study

作者: Qing-Xiang Pei , Viacheslav Sorkin , Ping Liu , Yucheng Zhong , Warintorn Thitsartarn

DOI: 10.1007/S10965-020-02371-3

关键词:

摘要: … Although the PA6 in the experiment is different from the PP in our simulations, both PA6 and PP are thermoplastic polymer and the interface adhesion between the HMDZ-modified silica …

参考文章(44)
József Karger-Kocsis, Haroon Mahmood, Alessandro Pegoretti, Recent advances in fiber/matrix interphase engineering for polymer composites Progress in Materials Science. ,vol. 73, pp. 1- 43 ,(2015) , 10.1016/J.PMATSCI.2015.02.003
Yong-Fang Mo, Chuan-Lu Yang, Yan-Fei Xing, Mei-Shan Wang, Xiao-Guang Ma, Li-Zhi Wang, Effects of silica surface on the ordered orientation of polyethylene: A molecular dynamics study Applied Surface Science. ,vol. 311, pp. 273- 278 ,(2014) , 10.1016/J.APSUSC.2014.05.055
D.B. Mahadik, A. Venkateswara Rao, A. Parvathy Rao, P.B. Wagh, S.V. Ingale, Satish C. Gupta, Effect of concentration of trimethylchlorosilane (TMCS) and hexamethyldisilazane (HMDZ) silylating agents on surface free energy of silica aerogels Journal of Colloid and Interface Science. ,vol. 356, pp. 298- 302 ,(2011) , 10.1016/J.JCIS.2010.12.088
Sezen Buell, Gregory C. Rutledge, Krystyn J. Van Vliet, Predicting polymer nanofiber interactions via molecular simulations. ACS Applied Materials & Interfaces. ,vol. 2, pp. 1164- 1172 ,(2010) , 10.1021/AM1000135
Vikas Mittal, Polymer Layered Silicate Nanocomposites: A Review Materials. ,vol. 2, pp. 992- 1057 ,(2009) , 10.3390/MA2030992
Y. Chen, J.Y.H. Chia, Z.C. Su, T.E. Tay, V.B.C. Tan, Mechanical characterization of interfaces in epoxy-clay nanocomposites by molecular simulations Polymer. ,vol. 54, pp. 766- 773 ,(2013) , 10.1016/J.POLYMER.2012.11.040
Per Nygård, Keith Redford, Claes-Göran Gustafson, Interfacial strength in glass fibre-polypropylene composites: influence of chemical bonding and physical entanglement Composite Interfaces. ,vol. 9, pp. 365- 388 ,(2002) , 10.1163/156855402760194719
Steve Plimpton, Fast parallel algorithms for short-range molecular dynamics Journal of Computational Physics. ,vol. 117, pp. 1- 19 ,(1995) , 10.1006/JCPH.1995.1039
Reinier L.C. Akkermans, Neil A. Spenley, Struan H. Robertson, Monte Carlo methods in Materials Studio Molecular Simulation. ,vol. 39, pp. 1153- 1164 ,(2013) , 10.1080/08927022.2013.843775