揭示了分子重量分布对链扩散和结晶过程在分支三模聚乙烯系统下的影响
Min Cai1, Xuelian He1, Boping Liu2
1State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Meilong Road 130, Shanghai 200237, China.
分子重量分布显著影响三模聚乙烯 (PE) 结晶. 较短的链条结晶速度更快,但过长的链条会降低整体结晶度,影响高性能材料的发展.
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
- 计算化学的计算化学
背景情况:
- 三模聚乙烯 (PE) 与双模PE相比,提供更高的性能,推动对先进材料的需求.
- 了解分子重量分布 (MWD) 的影响对于优化三模 PE 特性至关重要.
研究的目的:
- 通过分子动力学 (MD) 模拟,研究MWD对三模 PE中核和结晶机制的影响.
- 阐明不同的链条长度和分支如何影响结晶动力学和最终结晶度.
主要方法:
- 利用分子动力学 (MD) 模拟来建模三模 PE.
- 分析了不同分子量分数和分支分布对核和晶体生长的影响.
主要成果:
- 当短链分支发生在单个脊柱上而不是两个脊柱上时,结晶率更快.
- 降低高分子量含量会减少核化时间,但由于低分子量链的早期结晶,会减缓结晶率.
- 高分子量骨干含量的小增加会增强结晶性,但过度增加会降低结晶性.
结论:
- MWD对三模PE核和结晶动力学有着重要的控制作用.
- 优化短,中,长分子量链的平衡是实现高晶度和所需材料性能的关键.
- 模拟MD提供了宝贵的洞察力,对复杂的结晶行为trimodalPE.
更多相关视频
06:55Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level
Published on: September 26, 2016
11:42Synthesis of Monodisperse Cylindrical Nanoparticles via Crystallization-driven Self-assembly of Biodegradable Block Copolymers
Published on: June 20, 2019
相关概念视频
Polymers: Molecular Weight Distribution
Molecular Weight of Step-Growth Polymers
As the step-growth polymerization involves step-wise condensation of monomers, the molecular weight also builds up eventually. Consequently, high molecular weight polymers are obtained at the late stages of the polymerization, where 99% of monomers have been consumed.
The extent of the...
Polymer Classification: Architecture
Radical Chain-Growth Polymerization: Chain Branching
Polymer Classification: Crystallinity
Crystalline domains are the regions where polymer chains are aligned in an orderly manner and held together in proximity by intermolecular forces. For example, chains in the crystalline domains of polyethylene and nylon are bound together by van der Waals...
Polymers: Defining Molecular Weight
The number average molecular weight (Mn) is the summation of the number...
