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Glycerol acetylation catalyzed by an acidic styrene- co -dimethacrylate resin: experiments and kinetic modeling
Reaction Kinetics, Mechanisms and Catalysis ( IF 1.8 ) Pub Date : 2020-05-08 , DOI: 10.1007/s11144-020-01788-7
Juliana A. Carpegiani , William M. Godoy , Daniela H. P. Guimarães , Leandro G. Aguiar

This work reports an experimental study and a kinetic model for glycerol acetylation. A sulfonated resin of styrene cross-linked with ethylene glycol dimethacrylate (EGDMA) was synthesized and applied as a catalyst in the referred reaction. Furthermore, the commercial sulfonated styrene–divinylbenzene resin Amberlyst 36® was also tested in the glycerol acetylation and the results were compared to those obtained with the synthesized resin. The reactions were carried out at two different temperatures: 80 and 90 °C. The experimental data were collected and compared to predictions of a homogeneous kinetic model of a second-order reaction using the Scilab software. The blank experiments had lower conversions than the catalyzed reaction. The difference found between the ion exchange capacities for PSEGDMA (3.45 mmol g−1) and Amberlyst 36 (5.45 mmol g−1) did not produce significant differences in the catalysis results. The average R2 obtained for the model fitting was 0.89733 and the rate constants of the catalyzed portion were found to be in the ranges: 0.01 × 10–5–1.30 × 10–5 L2 mol−2 min−1 for Amberlyst 36 and 0.01 × 10–5–2.74 × 10–5 L2 mol−2 min−1 for PSEGDMA. According to the rate constants obtained herein, it is concluded that PSEGDMA resins has a higher efficiency for application in the referred reaction. This conclusion can be verified by calculating the efficiency per catalytic sites, which were 51.78 and 104.24 for Amberlyst 36 and PSEGDMA, respectively. This calculation can be used because it is the same catalyst but supported in different structures, proven by calculating the swelling index of the resins, which are shown in the “Results” section.



中文翻译:

酸性苯乙烯-共-二甲基丙烯酸酯树脂催化甘油乙酰化:实验和动力学模型

这项工作报告了甘油乙酰化的实验研究和动力学模型。合成了与乙二醇二甲基丙烯酸酯(EGDMA)交联的苯乙烯磺化树脂,并将其用作上述反应的催化剂。此外,还对商品化的磺化苯乙烯-二乙烯基苯树脂Amberlyst36®进行了甘油乙酰化测试,并将结果与​​合成树脂的结果进行了比较。反应在两个不同的温度下进行:80和90°C。收集实验数据,并与使用Scilab软件的二阶反应均相动力学模型的预测值进行比较。空白实验的转化率低于催化反应的转化率。发现PSEGDMA的离子交换容量之间存在差异(3.45 mmol g -1)和Amberlyst 36(5.45 mmol g -1)的催化效果没有明显差异。通过模型拟合获得的平均R 2为0.89733,发现催化部分的速率常数在以下范围内:Amberlyst 36的0.01×10 –5 –1.30×10 –5  L 2  mol -2  min -1 0.01×10 –5 –2.74×10 –5 L 2 mol -2  min -1用于PSEGDMA。根据本文获得的速率常数,可以得出结论,PSEGDMA树脂在上述反应中具有更高的应用效率。该结论可以通过计算每个催化位点的效率来验证,Amberlyst 36和PSEGDMA的效率分别为51.78和104.24。可以使用此计算方法,因为它是相同的催化剂,但负载在不同的结构中,通过计算树脂的溶胀指数证明了这一点,这在“结果”部分中显示。

更新日期:2020-05-08
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