在青粘合剂中SBS和PTW聚合物修饰剂的兼容性和机制的分子模拟
Xiangbing Xie1, Kaiwei Wang2, Meng Bao3
1School of Civil Engineering and Architecture, Zhengzhou University of Aeronautics, Zhengzhou, 450046, Henan, China.
Journal of molecular modeling
|October 13, 2023
概括
这项研究表明,将乙烯基-丁烯酸-甘基甲酸共聚合物 (PTW) 添加到 styrene-butadiene-styrene (SBS) 改性青粘合剂中,可以提高超薄覆盖的兼容性和机械性能. 复合材料提高了高温剪切阻力和粘合剂稳定性.
科学领域:
- 材料科学 材料科学 材料科学
- 聚合物化学 聚合物化学
- 土木工程 土木工程是指土木工程.
背景情况:
- 超薄的覆盖需要高粘度的青粘合剂,以承受车辆负载下增加的应力.
- 与超薄覆盖相比,传统的青路面具有较低的拉力和剪切应力要求.
研究的目的:
- 为了研究 styrene-butadiene-styrene (SBS) /ethylene-butyl acrylate-glycidyl methacrylate copolymer (PTW) 高粘度改性青粘合剂用于超薄覆盖的修饰机制.
- 使用分子动力学 (MD) 分析SBS/PTW改性青粘合剂的兼容性和分子行为.
主要方法:
- 使用材料工作室软件构建SBS,PTW,青粘合剂及其混合系统的分子模型.
- 在青粘合剂中的组件的兼容性和扩散系数的研究,使用MD模拟.
- 对改性青结合剂的机械性能和分子行为的分析.
主要成果:
- PTW与青粘合剂的兼容性比SBS更好,并且降低了粘合剂的可溶性参数,提高了SBS的兼容性.
- 在青粘合剂中,PTW显著提高了SBS扩散系数 (高达29%) 和相互作用能量 (高达83%).
- 与单独使用SBS相比,SBS/PTW复合材料的弹性模量 (E) 增加了4.6%,散装模量 (K) 增加了9.5%,剪切模量 (G) 增加了3.5%,提高了高温剪切阻力和粘合剂稳定性.
结论:
- 经过SBS/PTW修改的青粘合剂复合材料显著提高了青粘合剂的高温剪切阻力和整体物理性能.
- PTW 提高了 SBS 在青粘合剂中的兼容性和分散性,从而提高了机械性能.
- 复合材料促进自我聚合,增强分子相互作用,增加青粘合剂结构的密度和稳定性,用于先进的路面应用.
相关概念视频
Polymer Classification: Architecture
2.7K
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...
2.7K
Polymer Classification: Stereospecificity
2.5K
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...
2.5K
Anionic Chain-Growth Polymerization: Mechanism
2.0K
The mechanism for anionic chain-growth polymerization involves initiation, propagation, and termination steps. In the initiation step, a nucleophilic anion, such as butyl lithium, initiates the polymerization process by attacking the π bond of the vinylic monomer. As a result, a carbanion, stabilized by the electron‐withdrawing group, is generated. The resulting carbanion acts as a Michael donor in the propagation step and attacks the second vinylic monomer, which acts as a Michael...
2.0K
Cationic Chain-Growth Polymerization: Mechanism
2.3K
The cationic polymerization mechanism consists of three steps: initiation, propagation, and termination. In the initiation step of the polymerization process, the π bond of a monomer gets protonated by the Lewis acid catalyst, which is formed from boron trifluoride and water. The protonation of the π bond generates a carbocation stabilized by the electron‐donating group. In the propagation step, the π bond of the second monomer acts as a nucleophile and attacks the...
2.3K
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
Olefin Metathesis Polymerization: Overview
2.2K
Recently, the development of olefin metathesis polymerization advanced the field of polymer synthesis. Simply put, the reorganization of substituents on their double bonds between two olefins in the presence of a catalyst is known as the olefin metathesis reaction. The use of metathesis reaction for polymer synthesis is called olefin metathesis polymerization.
Ruthenium-based Grubbs catalyst is the most commonly used catalyst for olefin metathesis polymerization. Grubbs catalyst consists...
Ruthenium-based Grubbs catalyst is the most commonly used catalyst for olefin metathesis polymerization. Grubbs catalyst consists...
2.2K


