液体状状态中的微粒形成的双块聚合物合聚合物化物
Kevin D Dorfman1, Zhen-Gang Wang2
1Department of Chemical Engineering and Materials Science, University of Minnesota, Twin-Cities, 421 Washington Ave SE, Minneapolis, Minnesota 55455, United States.
ACS macro letters
|July 3, 2023
概括
双块共聚物的自我组装揭示了许多类似液体的状态在秩序-混乱过渡附近. 这些状态,随着细胞间距离略微膨胀,解释了实验中的缓慢排序动力学.
科学领域:
- 聚合物物理 聚合物物理
- 材料科学是一种材料科学.
- 软物质物理学 软物质物理学
背景情况:
- 双锁共聚合物表现出复杂的自我组装行为.
- 了解自由能量格局对于预测共聚合物形态至关重要.
研究的目的:
- 为了研究微粒形成的双块共聚合物融中的类似液态的性质.
- 探索在秩序-混乱过渡 (ODT) 附近的自由能量景观.
主要方法:
- 大细胞自一致场理论 (SCFT) 的计算.
- 使用Lennard-Jones流体结构进行初始化.
- 在ODT以下的结构因子计算.
主要成果:
- 识别了许多具有身体中心立方体 (bcc) 状态附近自由能量的液态状态.
- 与BCC相比,在这些液态中观察到细胞间距离的轻微膨胀.
- 展示了一个粗的自由能源景观,有许多本地最小值.
结论:
- 复杂的自由能量景观解释了实验中观察到的缓慢的排序动力学.
- SCFT 提供了无序状元的平均场图像.
- 液态和BCC状态的接近退化凸显了复杂的自我组装路径.
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