Experimental and density functional theory calculations on the pyrolysis characteristics and mechanism of polarizing film, the main organic component of waste liquid crystal display panels

IF 5.8 2区 化学 Q1 CHEMISTRY, ANALYTICAL Journal of Analytical and Applied Pyrolysis Pub Date : 2024-09-18 DOI:10.1016/j.jaap.2024.106769
Ran Tao , Bin Li , Yufeng Wu , Wei Zhang , Lijuan Zhao , Haoran Yuan , Jing Gu , Yong Chen
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Abstract

Waste liquid crystal display (LCD) panels contain a significant amount of rare precious metal In, and In extraction is also the industry's driving force There are currently many reports on the recovery of In from waste LCD panels, but there are not many on the recovery of organic components from waste LCD panels, particularly polarizing film recovery. Pyrolysis is one of the most promising technologies for organic waste recycling. This work utilized TG, TG-FTIR, and Py-GC/MS to examine the pyrolysis properties and product distribution of the polarizing film. Additionally, a range of kinetic analysis methods and density functional theory calculation were utilized to examine the pyrolysis kinetics and mechanism of the polarizing film. Polarizing film are mainly composed of cellulose triacetate (CTA), triphenyl phosphate (TPHP), polyvinyl alcohol (PVA) and polyacrylate. The results showed that CTA first breaks the glycosidic bond through a synergistic reaction to form an active CTA with a low degree of polymerization, and then forms small molecule compounds such as glucan triacetate analog, methylglyoxal, and allyl benzoate, among others, through free radical reactions. PVA first forms long-chain olefins through a dehydration process, and then short-chain olefins by a free radical reaction. TPHP may merely undergo melting and evaporation rather than undergoing a chemical reaction. Polyacrylate generates esters and aldehydes mainly through free radical reactions. This study provides a theoretical foundation and comprehensive reference for the pyrolysis and recycling of waste LCD panels.

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废旧液晶显示屏主要有机成分偏光膜热解特性与机理的实验和密度泛函理论计算
废旧液晶显示器(LCD)面板中含有大量稀有贵金属 In,In 的提取也是该行业的驱动力。目前,有关从废旧 LCD 面板中回收 In 的报道很多,但有关从废旧 LCD 面板中回收有机成分,尤其是偏光膜回收的报道却不多。热解是最有前途的有机废物回收技术之一。这项工作利用 TG、TG-FTIR 和 Py-GC/MS 来研究偏光膜的热解特性和产物分布。此外,还利用一系列动力学分析方法和密度泛函理论计算,研究了偏振膜的热解动力学和机理。偏振膜主要由三醋酸纤维素(CTA)、磷酸三苯酯(TPHP)、聚乙烯醇(PVA)和聚丙烯酸酯组成。结果表明,CTA 首先通过协同反应断裂糖苷键,形成低聚合度的活性 CTA,然后通过自由基反应形成葡聚糖三醋酸酯类似物、甲基乙二醛和苯甲酸烯丙酯等小分子化合物。PVA 首先通过脱水过程形成长链烯烃,然后通过自由基反应形成短链烯烃。TPHP 可能只是经过熔化和蒸发,而不是发生化学反应。聚丙烯酸酯主要通过自由基反应生成酯和醛。这项研究为废旧液晶面板的热解和回收利用提供了理论基础和全面参考。
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来源期刊
CiteScore
9.10
自引率
11.70%
发文量
340
审稿时长
44 days
期刊介绍: The Journal of Analytical and Applied Pyrolysis (JAAP) is devoted to the publication of papers dealing with innovative applications of pyrolysis processes, the characterization of products related to pyrolysis reactions, and investigations of reaction mechanism. To be considered by JAAP, a manuscript should present significant progress in these topics. The novelty must be satisfactorily argued in the cover letter. A manuscript with a cover letter to the editor not addressing the novelty is likely to be rejected without review.
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