Effect of copper content on the pyrolysis process of organic components in waste printed circuit boards: Based on experimental and quantum chemical DFT simulations

IF 3.7 3区 工程技术 Q2 ENGINEERING, CHEMICAL Chinese Journal of Chemical Engineering Pub Date : 2024-09-01 DOI:10.1016/j.cjche.2024.04.024
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Abstract

In recent years, scientists have become increasingly concerned in recycling electronic trash, particularly waste printed circuit boards (WPCBs). Previous research has indicated that the presence of Cu impacts the pyrolysis of WPCBs. However, there may be errors in the experimental results, as printed circuit boards (PCBs) with copper and those without copper are produced differently. For this experiment, we blended copper powder with PCB nonmetallic resin powder in various ratios to create the samples. The apparent kinetics and pyrolysis properties of four resin powders with varying copper concentrations were compared using nonisothermal thermogravimetric analysis (TG) and thermal pyrolysis-gas chromatography mass spectrometry (Py-GC/MS). From the perspective of kinetics, the apparent activation energy of the resin powder in the pyrolysis reaction shows a rise (0.1<α<0.2)-stable (0.2<α<0.4)-accelerated increase (0.4<α<0.8)- decrease (0.8<α<0.9) process. After adding copper powder, the apparent activation energy changes more obviously when (0.2<α<0.4). In the early stage of the pyrolysis reaction (0.1<α<0.6), the apparent activation energy is reduced, but when α = 0.8, it is much higher than that of the resin sample without copper. Additionally, it is discovered using thermogravimetric analysis and Py-GC/MS that copper shortens the temperature range of the primary pyrolysis reaction and prevents the creation of compounds containing bromine. This inhibition will raise the temperature at which compounds containing bromine first form, and it will keep rising as the copper level rises. The majority of the circuit board molecules have lower bond energies when copper is present, according to calculations performed using the Gaussian09 software, which promotes the pyrolysis reaction.

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铜含量对废印刷电路板中有机成分热解过程的影响:基于实验和量子化学 DFT 模拟
近年来,科学家们越来越关注电子垃圾,尤其是废弃印刷电路板(WPCB)的回收利用。以往的研究表明,铜的存在会影响 WPCB 的热解。然而,实验结果可能存在误差,因为含铜和不含铜的印刷电路板(PCB)的生产过程不同。在本实验中,我们将铜粉与 PCB 非金属树脂粉以不同比例混合,制成样品。使用非等温热重分析法(TG)和热裂解-气相色谱-质谱法(Py-GC/MS)比较了铜浓度不同的四种树脂粉的表观动力学和热裂解特性。从动力学角度看,树脂粉末在热解反应中的表观活化能呈上升(0.1<α<0.2)-稳定(0.2<α<0.4)-加速上升(0.4<α<0.8)-下降(0.8<α<0.9)的过程。加入铜粉后,表观活化能在(0.2<α<0.4)时变化更为明显。在热解反应初期(0.1<α<0.6),表观活化能有所降低,但当α=0.8时,表观活化能远高于无铜树脂样品。此外,利用热重分析和 Py-GC/MS 发现,铜缩短了初级热解反应的温度范围,并阻止了含溴化合物的生成。这种抑制作用会提高含溴化合物的初始形成温度,并随着铜含量的升高而不断升高。根据使用 Gaussian09 软件进行的计算,当铜存在时,大多数电路板分子的键能较低,从而促进了热解反应。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Chinese Journal of Chemical Engineering
Chinese Journal of Chemical Engineering 工程技术-工程:化工
CiteScore
6.60
自引率
5.30%
发文量
4309
审稿时长
31 days
期刊介绍: The Chinese Journal of Chemical Engineering (Monthly, started in 1982) is the official journal of the Chemical Industry and Engineering Society of China and published by the Chemical Industry Press Co. Ltd. The aim of the journal is to develop the international exchange of scientific and technical information in the field of chemical engineering. It publishes original research papers that cover the major advancements and achievements in chemical engineering in China as well as some articles from overseas contributors. The topics of journal include chemical engineering, chemical technology, biochemical engineering, energy and environmental engineering and other relevant fields. Papers are published on the basis of their relevance to theoretical research, practical application or potential uses in the industry as Research Papers, Communications, Reviews and Perspectives. Prominent domestic and overseas chemical experts and scholars have been invited to form an International Advisory Board and the Editorial Committee. It enjoys recognition among Chinese academia and industry as a reliable source of information of what is going on in chemical engineering research, both domestic and abroad.
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