了解PEDOT:PSS的热力学和动力学使用ATR-FTIR和密度函数理论
Devyesh Rana1, John Biswakarma1, Steven R Lustig1
1Department of Chemical Engineering, Northeastern University, Boston, Massachusetts 02115, United States.
ACS omega
|September 23, 2024
概括
这项研究通过与乙烯 (DVS) 进行交叉链接来开发不溶性,多孔的聚3,4-乙烯二氧化硫 (PEDOT:PSS) 聚乙烯硫酸盐 (PEDOT:PSS) 水凝. 这些新的PEDOT:PSS-DVS材料具有可控的多孔性,并防止再分散,提供先进的材料特性.
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
- 导电聚合物 导电聚合物
背景情况:
- 聚3,4-乙烯二氧化) 聚二硫酸 (PEDOT:PSS) 是一种广泛使用的导电聚合物,具有良好的电性能,但在溶液中分散性差.
- 开发PEDOT:PSS的不溶性和多孔形式对于需要稳定的材料结构的先进应用至关重要.
研究的目的:
- 为了证明PEDOT:PSS与二甲基硫 (DVS) 的交联,以产生不溶性和多孔的水凝.
- 阐明控制PEDOT:PSS-DVS交叉链接过程的反应机制和动力学.
- 调查诱导产生的水凝中受控多孔性的方法.
主要方法:
- 实时减弱总反射率-里埃变换红外光谱 (ATR-FTIR) 用于反应监测.
- 密度函数理论 (DFT) 计算以支持拟议的反应机制.
- 低温凝结,相分离和相逆转技术,以引入多孔性.
- 动力分析以确定速率表达式,预指数因子和激活能量.
主要成果:
- 提出了DVS和PSS之间的第二阶反应机制,并得到了实验和计算数据的支持.
- 确定了一个温度依赖的速率表达式,其预指数系数为1.458 1/s,激活能量为2.429 kcal/mol.
- 多孔PEDOT:PSS-DVS水凝的孔径从12到121微米,成功地使用各种方法制造.
- 由此产生的多孔水凝显示不溶性,在溶液中保持其结构完整性.
结论:
- 该研究成功地通过明确的交联反应开发了不溶性和多孔的PEDOT:PSS-DVS水凝.
- 对反应机制和动力学进行了彻底的研究,为PEDOT:PSS.的修改提供了基本的见解.
- 开发的多孔,不溶性水凝为材料稳定性和可控架构至关重要的应用提供了有前途的特性.
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