在Poly ((trimethylene 2,5-furandicarboxylate) 的冷结晶过程中研究晶体结构和结合
Oscar Toledano1,2, Oscar Gálvez3,4, Mikel Sanz3,4
1CICECO - Aveiro Institute of Materials, Universidade de Aveiro, Aveiro 3810-193, Portugal.
Macromolecules
|March 18, 2024
概括
这项研究揭示了如何使用实时光谱学和X射线散射来结晶的聚二甲基二二二酸盐. 键重组被认为是聚基烯2,5-酸盐结晶的关键驱动因素.
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
- 物理化学 物理化学
背景情况:
- 聚乙烯2,5-酸盐是新兴的生物基聚合物,具有潜在的应用.
- 了解它们的结晶行为对于物质属性控制至关重要.
研究的目的:
- 阐明聚二甲二,五-二碳酸盐 (PTF) 的 in situ 异热结晶机制.
- 调查结合在结晶过程中的作用.
主要方法:
- 实时里叶变换红外光谱 (FTIR) 监测结.
- 放牧发生率广角X射线散射 (GIWAXS) 来追踪晶体形成.
- 密度函数理论 (DFT) 计算用于光谱模拟和结构分析.
主要成果:
- FTIR和GIWAXS提供了对PTF结晶的实时见解.
- 通过DFT计算,可以准确地分配频段,并了解键的影响.
- 基于结合的实验和计算数据,提出了PTF的晶体结构.
结论:
- 在PTF的晶体和无形相中存在结合.
- 键的重新排列是PTF结晶的重要驱动力.
- 这项研究提供了对聚乙烯2,5-酸盐结晶的基本见解.
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