利用分子动力学和COMPASS力场相结合的方法,求得八苯基倍半硅氧烷(OPS)粒子在聚丙烯(PP)体系中的扩散系数.通过对扩散系数的分析,发现OPS粒子和PP体系有很好的相互作用,加入少量(质量分数为1%)的OPS可以减小PP球晶的粒径.OPS在PP中扩散主要以孔穴运动为主,PP/OPS体系的压力势能波动较大,推断体系在压力变化环境下的性能较差.
参考文献
| [1] | Baney R H;Itoh M;Sakaibara A .Silsesquioxanes[J].Chemical Reviews,1995,95:1409-1143. |
| [2] | Chang-Chung Yang;Wen-Chang Chen;Li-Mei Chen;Chao-Jen Wang .Characterization of Poly(silsesquioxane) by Thermal Curing[J].Proceedings of the National Science Council, Republic of China.Part A.Physical Science and Engineering,2001(6):339-343. |
| [3] | 胡萍,刘佐民,姜明,陈猛.聚丙烯热降解性能研究[J].合成材料老化与应用,2006(03):27-30. |
| [4] | 许锦华,丁雪佳,徐日炜,张立群,余鼎声.聚丙烯/笼型聚硅倍半氧烷的非等温结晶及其动力学研究[J].北京化工大学学报（自然科学版）,2004(06):107-109. |
| [5] | Fu Bruce X;Yang Ling;Somani Rajesh H et al.Crystallization studies ofisotacfic polypropylene containing nanostuctured polyhedral oligomerics silsesquioxane molecules under quiescent and shear conditions[J].Polymer Physics,2001,39:2727-2739. |
| [6] | Mark A.Horsch;Zhenli Zhang;Sharon C.Glotzer.[A].Materials Research Society,2004 |
| [7] | Xi Zhang;Elaine R.Chan;Sharon C Glotzer .Self-assembled morphologies of monotethered polyhedral oligomeric silsesquioxane nanocubes from computer simulation[Z]. |
| [8] | Elaine R.Chan;Xi Zhang;Cheng-Ying Lee;Matthew Neurock,Sharon C .[J].Glotzer * Macromolecules,2005,38:6168-6180. |
| [9] | Carver,T.J;Drew,M.G.B;Rodger,P.M .[J].Annals of the New York Academy of Sciences,2000,912:658. |
| [10] | Freer,E.M;Sloan,E.D .[J].Annals of the New York Academy of Sciences,2000,912:651. |
| [11] | J. R. Fried;P. Ren .Molecular simulation of the glass transition of polyphosphazenes[J].Computational & theoretical polymer science,1999(2):111-116. |
| [12] | Muller-Plathe F;Rogers S C;van Gunsteren W F .Computational evidencefor anomalous diffusionof small molecules in amorphous polymers[J].Chemical Physics Letters,1992,199:237-243. |
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