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四种诱导效应下聚苯乙烯/聚甲基丙烯酸甲酯共混物相容性的建模与分析。

Modeling and analysis of the compatibility of polystyrene/poly(methyl methacrylate) blends with four inducing effects.

机构信息

Department of Chemistry, Zaozhuang University, Shandong, 277160, China.

出版信息

J Mol Model. 2011 Mar;17(3):607-19. doi: 10.1007/s00894-010-0755-z. Epub 2010 Jun 5.

Abstract

The compatibility of polystyrene (PS) and poly(methyl methacrylate) (PMMA) blends was studied over a wide range of compositions at 383, 413 and 443 K, respectively, by atomistic and mesoscopic modeling. All the calculated Flory-Huggins interaction parameters showed positive values; furthermore, they were all above the critical Flory-Huggins interaction parameter value, which means that the PS/PMMA blends were immiscible. Both the addition of a block copolymer and the introduction of a shear field influenced the phase morphologies of the blends, while the degree of influence depended on the compositions of the blends. The study of PS/PMMA blends doped with nanoparticles showed that the mesoscopic phase was influenced by not only the properties of the nanoparticles, such as their size, number and number density, but also the compositions of the blends. The effect of the surface roughness of the planes on the phase separation of the blends was also studied.

摘要

通过原子和介观建模,分别在 383、413 和 443 K 的较宽范围内研究了聚苯乙烯(PS)和聚甲基丙烯酸甲酯(PMMA)共混物的相容性。所有计算出的 Flory-Huggins 相互作用参数均为正值;此外,它们均高于临界 Flory-Huggins 相互作用参数值,这意味着 PS/PMMA 共混物是不混溶的。嵌段共聚物的添加和剪切场的引入都会影响共混物的相形态,而影响程度取决于共混物的组成。对掺杂纳米粒子的 PS/PMMA 共混物的研究表明,介观相不仅受到纳米粒子的性质(如尺寸、数量和数密度)的影响,还受到共混物组成的影响。还研究了平面表面粗糙度对共混物相分离的影响。

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