在单分散聚合物融中的剪切带
Fan Peng1, Renkuan Cao1, Cui Nie1
1National Synchrotron Radiation Laboratory, Anhui Provincial Engineering Laboratory of Advanced Functional Polymer Film, CAS Key Laboratory of Soft Matter Chemistry, University of Science and Technology of China, Hefei 230026, China.
The Journal of chemical physics
|December 11, 2023
概括
分子动力学模拟显示,聚合物融中的剪切带与纠异质性有关. 对分子链力平衡的新标准预测,在高剪率下,剪带的出现.
科学领域:
- 聚合物物理 聚合物物理
- 类风病学 类风病学 类风病学
- 材料科学 材料科学 材料科学
背景情况:
- 剪切带是聚合物融中的复杂流体现象.
- 了解其分子起源对于材料加工至关重要.
研究的目的:
- 研究单分散聚合物融中的剪切带的形成.
- 确定分子链动态和剪切带之间的关系.
- 确定预测剪切带的标准.
主要方法:
- 使用了分子动力学模拟.
- 分析的单分散聚合物在高剪切速率下化.
- 检查了纠异质性和分子链形状.
主要成果:
- 剪切带带是伴随着纠异质性的.
- 观察到端到端距离 (Ree) 和纠密度 (Z) 之间的线性关系.
- 为动态力量平衡提出了一个标准Ree ∼ ln(Wi0.87) -ξ0Z.
- 为解率 (Vd) 和韦森堡数 (Wi) 建立了一个缩放关系Vd∼Wi0.87.
- 发现剪切带可以限制链条的拉伸和解.
结论:
- 剪切带出现的原因是与拟议的分子力平衡标准的偏差.
- 剪切带的形成有助于分散自由能量并稳定系统.
- 这项研究提供了对聚合物中剪切带的分子机制的见解.
相关概念视频
Polymers: Molecular Weight Distribution
3.4K
For any given polymer, the weight average molecular weight (Mw) is higher than, if not equal to, the number average molecular weight (Mn). The only situation in which the weight average molecular weight and the number average molecular weight are equal is when a polymer consists only of chains with equal molecular weight. However, this never happens in a synthetic polymer, since it is difficult to control the polymerization process up to a molecular level with accuracy to a hundred percent.
3.4K
Molecular Weight of Step-Growth Polymers
2.2K
Step growth polymerization involves bi or multifunctional monomers. Bifunctional monomers react to form linear step growth polymers, whereas multifunctional monomers react to form non-linear or branched 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...
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...
2.2K
Polymer Classification: Crystallinity
2.9K
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...
2.9K
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
Problem Solving on Stress and Strain
745
Stress is a quantity that describes the magnitude of a force that causes deformation, generally defined as internal force per unit area. When forces pull on an object and cause its elongation, like the stretching of an elastic band, it is called tensile stress. When forces cause the compression of an object, it is known as compressive stress. When an object is being squeezed uniformly from all sides, like a submarine in the depths of the ocean, we call this kind of stress bulk stress (or volume...
745
Step-Growth Polymerization: Overview
3.5K
Step-growth or condensation polymerization is a stepwise reaction of bi or multifunctional monomers to form long-chain polymers. As all the monomers are reactive, most of the monomers are consumed at the early stages of the reaction to form small chains of reactive oligomers, which then combine to form long polymer chains in the late stages. Hence, the reaction has to proceed for a long time to achieve high molecular weight polymers.
Many natural and synthetic polymers are produced by...
Many natural and synthetic polymers are produced by...
3.5K


