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首页> 外文期刊>Macromolecular theory and simulations >Simulated Annealing Study of Self-Assembly of Symmetric ABA Triblock Copolymers Confined in Cylindrical Nanopores
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Simulated Annealing Study of Self-Assembly of Symmetric ABA Triblock Copolymers Confined in Cylindrical Nanopores

机译:圆柱形纳米孔中对称ABA三嵌段共聚物自组装的模拟退火研究

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摘要

We report a simulated annealing study of the self-assembly of symmetric lamella-forming ABA triblock copolymers confined in cylindrical nanopores. We systematically examine the dependence of the self-assembled morphologies and structural parameters on the degree of confinement and the strength of the surface preference. We find that the confined morphologies for the symmetric ABA triblocks with fA1/2 are similar to those for the symmetric or nearly symmetric AB diblock copolymers under the same confinement. We also find that different structural parameters can reflect different information. The predicted bridging fraction value for the bulk phase is in good agreement with previously established values, whereas the predicted values for the confined morphologies change with both the degree of confinement andthe strength of the surface preference. We further explore the self-assembling process by examining the morphology and various ensemble-averaged thermodynamic quantities and structure parameters as a function of the reduced temperature.
机译:我们报告了模拟的退火研究,其限制了圆柱纳米孔中对称的形成薄片的ABA三嵌段共聚物的自组装。我们系统地检查了自组装形态和结构参数对约束程度和表面优先强度的依赖性。我们发现,在相同的限制下,具有fA1 / 2的对称ABA三嵌段共聚物的受限形态与对称或接近对称的AB二嵌段共聚物的形态相似。我们还发现,不同的结构参数可以反映不同的信息。本体相的预测桥连分数值与先前确定的值非常吻合,而受限形态的预测值则随约束程度和表面偏好强度的变化而变化。我们通过检查形态和各种整体平均热力学量和结构参数(取决于降低的温度)来进一步探索自组装过程。

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