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在明确的多分散性下模拟相位分离和聚合之间的竞争
Hyeonmin Jeong1, Junsi Gu2, Paul Mwasame2
1Department of Chemical and Biomolecular Engineering, University of Illinois Urbana-Champaign, Urbana, IL, 61801, USA. cesing@illinois.edu.
聚合诱导的相分离是使用聚合Cahn-Hilliard方法建模的. 较快的聚合可以延迟相位分离由于分子重量积累,影响聚合物混合物形态.
科学领域:
- 聚合物科学 聚合物科学
- 材料科学 材料科学 材料科学
- 化学工程是化学工程的重要组成部分.
背景情况:
- 聚合物混合物中的相分离决定了材料的特性.
- 聚合诱导相位分离对反应动力学与形态的发展.
- 控制相位分离对于定制聚合物材料至关重要.
研究的目的:
- 开发和应用一个相场模型,用于聚合物混合物中的聚合诱导相位分离.
- 为了研究相隔动力学和聚合动力学之间的相互作用.
- 分析多分散性和不平等反应速率对相分离行为的影响.
主要方法:
- 开发了一个聚合的Cahn-Hilliard (pCH) 相场模型.
- 明确纳入多分散性,以解释不同的分子量和扩散速率.
- 验证了该模型与卡罗瑟斯的预测,弗洛里-哈金斯理论,以及经典的旋分解.
主要成果:
- 该pCH模型准确地预测了聚合动力学和相分离行为.
- 高不相容性 (高奇) 与相隔强度与动力学有关.
- 增加反应速率最初会加速相分离,但进一步增加可能会由于扩散聚合竞争而延迟相分离.
结论:
- 该模型为聚合诱导的相分离提供了基本的见解.
- 较快的聚合会导致相分离延迟,这是由于高分子量物种的积累造成的.
- 这种理解对于控制聚合物混合物的形态和特性至关重要.
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