通过自由基无规共聚合成聚酰胺并进行动力学模拟

IF 0.7 4区 化学 Q4 CHEMISTRY, PHYSICAL Russian Journal of Physical Chemistry A Pub Date : 2024-07-02 DOI:10.1134/s003602442470033x
Yuanchao He, Xiaozhen Zhang, Zhimin Ma, Xiaoyu Hou, Bin Pan, Yinan Liu, Xiaorong Wang
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引用次数: 0

摘要

摘要 以丙烯酸(AA)和 2-甲基丙烯酸乙氧基乙基三甲基氯化铵(DMC)为单体,采用自由基无规共聚法合成了一种聚酰胺。通过优化合成条件、红外光谱分析、热重分析、差示扫描量热分析和建立合理的动力学模拟模型,得出以下结论:AA、DMC 和 K2S2O8/NaHSO3 的比例为 1 : 1 : 0.26% 时效果最佳,室温下的扩散行为可自动修复受损部位。预测的玻璃化转变温度值与实验值吻合良好,表明所构建的分子模型和计算方法可用于类似体系结构和性质的研究。静电相互作用力是这类聚合物扩散过程的主要驱动力,通过微观模型可以直观地观察到,在静电力的牵引下,聚合物中的分子链发生了重新排列和构象变化,导致分子间相互作用的重组,从而实现了聚合物网络中机械损伤的修复过程。
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Synthesis and Kinetic Simulation of Polyampholyte via Free Radical Random Copolymerization

Abstract

A polyampholyte was constructed using acrylic acid (AA) and 2-methyl methacrylate ethoxyethyl trimethylammonium chloride (DMC) as monomers by free radical random copolymerization. Through optimization of the synthesis conditions, characterization by Infrared spectroscopy, Thermogravimetric analysis, Differential scanning calorimetry, and construction of a reasonable model for kinetic simulation, the following conclusions were obtained: a ratio of 1 : 1 : 0.26% for AA, DMC, and K2S2O8/NaHSO3 was the best, and the diffusion behavior at room temperature could auto-heal damaged areas. The predicted glass transition temperature value matched well with the experimental value, indicating that the constructed molecular model and computational method could be applied to the study of the structure and properties of similar systems. The electrostatic interaction force was the main driving force for the diffusion process of this type of polymer, and through a microscopic model, it could be observed intuitively that under the traction of electrostatic forces, the molecular chains in the polymer were rearranged and underwent conformational changes, resulting in the reorganization of intermolecular interactions, thereby achieving the repair process of mechanical damage in the polymer network.

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来源期刊
CiteScore
1.20
自引率
14.30%
发文量
376
审稿时长
5.1 months
期刊介绍: Russian Journal of Physical Chemistry A. Focus on Chemistry (Zhurnal Fizicheskoi Khimii), founded in 1930, offers a comprehensive review of theoretical and experimental research from the Russian Academy of Sciences, leading research and academic centers from Russia and from all over the world. Articles are devoted to chemical thermodynamics and thermochemistry, biophysical chemistry, photochemistry and magnetochemistry, materials structure, quantum chemistry, physical chemistry of nanomaterials and solutions, surface phenomena and adsorption, and methods and techniques of physicochemical studies.
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