基于化学反应网络层级分析方法的二氧化氯漂白过程研究

Study on Chlorine Dioxide Bleaching Process Based on Chemical Reaction Network Hierarchical Analysis Method

中文关键词:  有向网络  节点层级  二氧化氯  木质素模型物

Key Words:directed network  node hierarchy  chlorine dioxide  lignin model substance

中文摘要:

      ClO₂作为一种高效漂白剂，被广泛应用于制浆造纸漂白工艺中。木质素与ClO₂的反应机制复杂，反应过程难以精确控制。其中，木质素与含氯物质间的氯化反应会产生可吸附有机氯化物（AOX），影响纸张质量，造成环境污染。为此，本研究以木质素模型物甲氧甲酚和ClO₂为研究对象，通过分析二者反应的主要氧化、氯化产物和产率，结合相关反应机理，提取得到19个主要的化学反应，构建了包含20个节点及43条有向边的化学反应网络。利用节点中心性指标，识别得到化学反应网络传递的关键节点，并通过化学反应网络层级划分及层级结构分析，揭示了漂白过程中AOX形成的关键路径。

Abstract:

      ClO₂ as an efficient bleaching agent， is widely used in pulp and paper bleaching processes. The interaction between lignin and ClO₂ involves a complex reaction mechanism that poses significant challenges in terms of precise control over the reaction process. Among them， the chlorination reaction occurring between lignin and chlorine-containing compounds leads to the generation of adsorbable organic chlorides （AOX）， which not only compromise the quality of paper， but also contribute to environmental pollution. Therefore， this study took the lignin model compounds methoxycresol and ClO₂ as the research objects. By analyzing the main oxidation and chlorination products and yields of lignin reacting with ClO₂， combing with relevant reaction mechanisms， 19 main chemical reactions were extracted， and a chemical reaction network containing 20 nodes and 43 directed edges was constructed. Utilizing the node centrality index， the key nodes transmitted in the chemical reaction network were identified， and the critical path of AOX formation during the bleaching process was revealed， through the hierarchical division and structural analysis of the chemical reaction network.