聚二甲基碳酸和聚二甲基碳酸的形状分析以及阿利法性聚碳酸的结构与性质关系
1Department of Applied Chemistry and Biotechnology, Graduate School and Faculty of Engineering, Chiba University 1-33, Yayoi-cho, Inage-ku, Chiba 263-8522, Japan.
The journal of physical chemistry. B
|February 25, 2025
概括
合规分析显示,聚三甲烯碳酸 (PTMC) 和聚乙烯碳酸 (PBC) 采用了延长链结构. 这些聚合物的间隔长度增加会影响电荷脱位和结晶行为.
科学领域:
- 聚合物科学 聚合物科学
- 材料化学 材料化学
- 计算化学计算化学
背景情况:
- 聚碳酸盐表现出各种各样的特性,受其骨干结构的影响.
- 了解聚合物形状对于预测材料特性至关重要.
研究的目的:
- 调查聚三甲烯碳酸 (PTMC) 和聚乙烯碳酸 (PBC) 的形状偏好.
- 为了将形状差异与批量特性 (如特征比率和结晶行为) 相关联起来.
主要方法:
- 使用计算方法进行符合性分析.
- 在非极地环境中评估特征比率.
- 分析影响静电排斥和点的因素.
主要成果:
- 确定了PTMC (tg±g±t) 和PBC (tg±tgt) 的稳定构造.
- 比起PEC和PPC,PTMC和PBC的特征比率显著更高.
- 间隔器长度增加导致电荷脱离,阻碍结晶,但导致融合的低热量.
结论:
- PTMC和PBC的分子架构决定了它们的延长链形状.
- 间距长度是聚碳酸中静电相互作用,结晶倾向和热性质的关键决定因素.
相关概念视频
Conformations of Cycloalkanes
11.5K
Adolf von Baeyer attempted to explain the instabilities of small and large cycloalkane rings using the concept of angle strain — the strain caused by the deviation of bond angles from the ideal 109.5° tetrahedral value for sp3 hybridized carbons. However, while cyclopropane and cyclobutane are strained, as expected from their highly compressed bond angles, cyclopentane is more strained than predicted, and cyclohexane is virtually strain-free. Hence, Baeyer’s theory that...
11.5K
Polymer Classification: Stereospecificity
2.4K
Polymerization generates chiral centers along the entire backbone of a polymer chain. Accordingly, the stereochemistry of the substituent group has a significant effect on polymer properties. Polymers formed from monosubstituted alkene monomers feature chiral carbons at every alternate position in the polymer backbone. Relative to the predominant orientation of substituents at the adjacent chiral carbons, the polymer can exist in three different configurations: isotactic, syndiotactic, and...
2.4K
Polymer Classification: Architecture
2.6K
Polymers are classified as linear or branched on the basis of their chain architecture. The polymer chains in linear polymers have a long chain-like structure with minimal to no branching at all. Even if a polymer features large substituent groups on the monomer, which appear as branches to the skeleton, it is not considered a branched polymer. A branched polymer contains secondary polymer chains that arise from the main polymer chain. The branching occurs when the polymer growth shifts from...
2.6K
Polymer Classification: Crystallinity
2.8K
Unlike ionic or small covalent molecules, polymers do not form crystalline solids due to the diffusion limitations of their long-chain structures. However, polymers contain microscopic crystalline domains separated by amorphous domains.
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...
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...
2.8K
Conformations of Cyclohexane
12.1K
Cyclohexane does not exist in a planar form due to the high angle and torsional strain it would experience in the planar structure. Instead, it adopts non-planar chair and boat conformations.
The chair form is the most stable and derives its name from its resemblance to the “easy chair.” In the chair conformation, two carbon atoms are arranged out-of-plane — one above and one below, minimizing the torsional strain. In the chair form, the bond angle is very close to the ideal...
The chair form is the most stable and derives its name from its resemblance to the “easy chair.” In the chair conformation, two carbon atoms are arranged out-of-plane — one above and one below, minimizing the torsional strain. In the chair form, the bond angle is very close to the ideal...
12.1K
Conformations of Ethane and Propane
13.6K
In an organic molecule, free rotation about the carbon-carbon single bond results in energetically different conformers of the molecule. Due to this rotation, called the internal rotation, ethane has two major conformations — staggered and eclipsed.
Staggered conformation is a low energy and more stable conformation with the C-H bonds on the front carbon placed at 60°dihedral angles relative to the C-H bonds on the back carbon, leading to a reduced torsional strain. In staggered...
Staggered conformation is a low energy and more stable conformation with the C-H bonds on the front carbon placed at 60°dihedral angles relative to the C-H bonds on the back carbon, leading to a reduced torsional strain. In staggered...
13.6K


