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Phase behavior of AB/CD diblock copolymer blends via coarse-grained simulation
Soft Matter ( IF 2.9 ) Pub Date : 2020/02/27 , DOI: 10.1039/d0sm00096e Iman Ahmadian 1, 2, 3, 4 , Andrew J. Peters 1, 2, 3, 4
Soft Matter ( IF 2.9 ) Pub Date : 2020/02/27 , DOI: 10.1039/d0sm00096e Iman Ahmadian 1, 2, 3, 4 , Andrew J. Peters 1, 2, 3, 4
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The phase diagram of equimolar blends of AB and CD diblock copolymers has been studied using dissipative particle dynamics. All unlike blocks interacted with the same χ, except for the B–C interaction, for which χBC < 0 in order to prevent macrophase separation. The BC interaction was able to prevent macrophase separation except for low volume fractions of B and C (φBC ≲ 0.1) and relatively equal fractions of A and D. For high φBC (φBC ≳ 0.92), a disordered state was obtained. For all microphase separated states the shapes/morphologies were described by the ratios of the eigenvalues of the radius of gyration tensor and their sphericity. These were used to classify the domains as forming sphere, cylinders, lamellae, or branched/gyroidal structures. For φBC < 0.5 the BC domains acted as an interfacial region which compatibilized the A and D domains, while for φBC > 0.5 the BC domain filled in the space between A and D domains. Several interesting structures were formed including a novel connected/branched spheres morphology, hierarchical lamellae, concentric spheres/cylinders, and a combination of cylinders/lamellae. Comparisons are made with the linear diblock and linear triblock phase diagrams.
中文翻译：
通过粗粒度模拟，AB / CD二嵌段共聚物共混物的相行为
使用耗散粒子动力学研究了AB和CD二嵌段共聚物的等摩尔共混物的相图。具有相同的交互所有不同于块χ，除了BC相互作用，其中χ BC <0，以防止宏观相分离。的BC相互作用能防止宏观相分离，除了B和C的低体积分数（φ BC ≲0.1），A和D的相对相等的分数对于高φ BC（φ BC≳0.92），获得了无序状态。对于所有的微相分离状态，形状/形态由回转张量半径的特征值与其球形度之比表示。这些用于将域分类为成形球体，圆柱体，薄片或分支/回旋结构。对于φ BC <0.5的BC域充当其相容A和d域的界面区域，而对于φ BC> 0.5的BC域填充了A和D域之间的空间。形成了几种有趣的结构，包括新颖的连接/分支球体形态，分层的薄片，同心球/圆柱体以及圆柱体/薄片的组合。与线性二嵌段和线性三嵌段相图进行了比较。
更新日期：2020-03-26
中文翻译：
通过粗粒度模拟，AB / CD二嵌段共聚物共混物的相行为
使用耗散粒子动力学研究了AB和CD二嵌段共聚物的等摩尔共混物的相图。具有相同的交互所有不同于块χ，除了BC相互作用，其中χ BC <0，以防止宏观相分离。的BC相互作用能防止宏观相分离，除了B和C的低体积分数（φ BC ≲0.1），A和D的相对相等的分数对于高φ BC（φ BC≳0.92），获得了无序状态。对于所有的微相分离状态，形状/形态由回转张量半径的特征值与其球形度之比表示。这些用于将域分类为成形球体，圆柱体，薄片或分支/回旋结构。对于φ BC <0.5的BC域充当其相容A和d域的界面区域，而对于φ BC> 0.5的BC域填充了A和D域之间的空间。形成了几种有趣的结构，包括新颖的连接/分支球体形态，分层的薄片，同心球/圆柱体以及圆柱体/薄片的组合。与线性二嵌段和线性三嵌段相图进行了比较。
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