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首页> 外文期刊>Journal of molecular modeling >Modeling and analysis of the compatibility of polystyrene/poly(methyl methacrylate) blends with four inducing effects
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Modeling and analysis of the compatibility of polystyrene/poly(methyl methacrylate) blends with four inducing effects

机译:具有四种诱导作用的聚苯乙烯/聚(甲基丙烯酸甲酯)共混物相容性的建模与分析

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摘要

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.
机译:通过原子模型和介观模型,分别在383、413和443 K的宽范围组成下研究了聚苯乙烯(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相互作用参数均显示为正值。此外,它们都高于临界Flory-Huggins相互作用参数值,这意味着PS / PMMA混合物是不溶混的。嵌段共聚物的添加和剪切场的引入均影响共混物的相形态,而影响程度取决于共混物的组成。掺有纳米粒子的PS / PMMA共混物的研究表明,介观相不仅受纳米粒子的性质(例如,其大小,数量和数量密度)的影响,而且还受到共混物组成的影响。还研究了平面的表面粗糙度对共混物相分离的影响。

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