Experiments and Kinetic Modeling on the Co/Mn/Br Catalyzed Oxidation of Prehnitene to Mellophanic Acid in the Liquid Phase,Industrial & Engineering Chemistry Research

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Experiments and Kinetic Modeling on the Co/Mn/Br Catalyzed Oxidation of Prehnitene to Mellophanic Acid in the Liquid Phase
Industrial & Engineering Chemistry Research ( IF 3.8 ) Pub Date : 2020-10-14 , DOI: 10.1021/acs.iecr.0c04170
Quanming Lyu ₁ , Yifu Cai ₁ , Shilin Wang ₁ , Weizhen Sun ₁ , Ling Zhao _{1,

2}

Affiliation

Mellophanic acid (MPA) was prepared by liquid-phase oxidation of prehnitene (PR) using Co/Mn/Br as the catalyst and acetic acid/water as the solvent in this work. The effects of temperatures and catalyst concentration and ratio on the yield of MPA and trimellitic acid (TMA) were investigated. It was found that improving reaction temperatures can significantly enhance the yield of MPA, and the higher ratio of Mn and concentration of Br in the catalyst is beneficial to increase the yield of both MPA and TMA. Based on the complex radical chain mechanism of hydrocarbon oxidation, the reaction pathway of PR oxidation was proposed and a lumped kinetic model including the most important intermediates and final products was established. The number of kinetic model parameters was much reduced through the Hammett structure–reactivity relationship. The model reliability was confirmed by comparisons with experimental data. Hopefully, the results obtained in this work can bring insights into the liquid-phase oxidation of other polyalkyl aromatic hydrocarbons.

中文翻译：

Co / Mn / Br催化液相催化乙炔催化合成羟丙甲酸的实验及动力学模型

在这项工作中，以Co / Mn / Br为催化剂，以乙酸/水为溶剂，通过预乙炔（PR）的液相氧化，制备了甲基苯丙酸（MPA）。研究了温度，催化剂浓度和比例对MPA和偏苯三酸（TMA）收率的影响。发现提高反应温度可以显着提高MPA的产率，并且催化剂中较高的Mn比例和Br的浓度有利于提高MPA和TMA的产率。基于烃氧化的复杂自由基链机理，提出了PR氧化的反应途径，建立了包括最重要的中间体和最终产物的集总动力学模型。通过哈米特结构-反应性关系，动力学模型参数的数量大大减少。通过与实验数据的比较证实了模型的可靠性。希望这项工作中获得的结果能够为其他聚烷基芳烃的液相氧化带来深刻见解。

更新日期：2020-10-29

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