Structural transformation of lignin from eucalyptus during chlorine dioxide bleaching
Structural transformation of lignin from eucalyptus during chlorine dioxide bleaching
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二氧化氯漂白过程中桉树木质素的结构转变
DOI：
10.15376/biores.14.1.1265-1278
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发表时间：
2018-12
期刊：
影响因子：
1.5
通讯作者：
姚双全
中科院分区：
文献类型：
--
作者：
覃程荣;黄灵芝;吕权峰;聂双喜;姚双全
从未漂桉木浆和漂白桉木浆中提取酶解/温和酸解木质素，并利用核磁共振波谱分析木质素结构的差异。用二氧化氯对未漂浆木质素进行氯化处理，研究了可吸附有机卤化物（AOX）的生成机理。氯化反应产物用气相色谱-质谱联用仪检测。存在由与β-O-4键连接的S/S木质素二聚体产生三种不同的氯苯或氯苯酚产物的可能性。基于量子化学理论，利用分子模拟技术研究了三种反应途径。结果表明，途径1具有最低的反应活化能，这使得它是最有利的催化剂。木质素二聚体的β-O-4键断裂。在该断裂之后，2-氯-3，5-二甲氧基-甲基苯是最有可能由双辛基单元的氯化反应生成的产物。这些结果为进一步降低二氧化氯漂白中AOX的产生提供了理论指导。
Enzymatic/mild acidolysis lignin was extracted from both unbleached and bleached eucalyptus pulp, and the difference in lignin structures was analyzed by nuclear magnetic resonance spectroscopy. The unbleached pulp lignin was chlorinated with chlorine dioxide, and the mechanism of adsorbable organic halide (AOX) formation was investigated. Chlorinated reaction products were detected by gas chromatography-mass spectrometry. There is a possibility of producing three different chlorobenzene or chlorophenol products from S/S lignin dimers that are connected with β-O-4 bonds. Based on quantum chemistry theory, three reaction pathways were investigated using molecular simulation techniques. The results showed that pathway 1 possessed the lowest reaction activation energy, which made it the most favored thermodynamically. The β-O-4 bond of the lignin dimer was cleaved. Following that scission, 2-chloro-3,5-dimethoxy-methyl benzene was the most likely product to be generated from the chlorination reaction of the syringyl unit. These results provide theoretical guidance for further reduction of AOX in chlorine dioxide bleaching.
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影响因子：
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