Autocatalytic Acetylation of Crude Glycerol Using Acetic Acid: A Kinetic Model

Reactions Pub Date : 2024-08-09 DOI:10.3390/reactions5030025

Federico M. Perez, F. Pompeo, G. Santori, M. Gatti

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Abstract

The aim of this work was to develop a kinetic model based on the power law to describe the evolution of glycerol conversion and product distribution in the crude glycerol (G) acetylation reaction with acetic acid (AA) without the use of a catalyst. For this purpose, experimental tests were carried out with analytical glycerol under different reaction conditions (T = 80–160 °C, AA/G = 1–9 molar ratio, t = 0.25–2 h). The results showed the formation of mono- (MAG), di- (DAG) and tri- (TAG) acetylglycerols, liquid products with multiple applications in the chemical industry. From these results, a kinetic model based on the power law was implemented, which could acceptably estimate the experimental concentrations with an average relative error of 14.9%. Then, crude glycerol samples from different biodiesel industries were characterized by identifying and quantifying the impurities present in them (H2O, CH3OH, NaOH, NaCOOH, MONG and NaCl), and employed as reactants in the reaction tests. Given the significant differences observed in the glycerol conversion values compared to those obtained with analytical glycerol, further reaction tests were conducted to elucidate the effect of each impurity over the glycerol conversion. In these tests, the different impurities were added individually, maintaining the same concentration range as that of the crude glycerol samples. From the results obtained, global activity factors were introduced, which allowed us to modify the kinetic model to estimate glycerol conversions in the crude glycerol samples with an average relative error of 7%. It is hoped that this kinetic model will be a powerful tool useful for designing reactors on an industrial scale.

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使用乙酸对粗甘油进行自动催化乙酰化：动力学模型

这项工作的目的是建立一个基于幂律的动力学模型，以描述在不使用催化剂的情况下，粗甘油（G）与乙酸（AA）发生乙酰化反应时甘油转化率和产物分布的变化情况。为此，在不同的反应条件下（T = 80-160 °C，AA/G = 1-9 摩尔比，t = 0.25-2 小时），用分析甘油进行了实验测试。结果显示生成了单乙酰甘油（MAG）、二乙酰甘油（DAG）和三乙酰甘油（TAG），这些液体产品在化学工业中有多种用途。根据这些结果，我们建立了一个基于幂律的动力学模型，该模型可以估算出实验浓度，平均相对误差为 14.9%。然后，对来自不同生物柴油行业的粗甘油样品进行了表征，确定并量化了其中存在的杂质（H2O、CH3OH、NaOH、NaCOOH、MONG 和 NaCl），并将其用作反应试验中的反应物。鉴于观察到的甘油转化值与分析甘油的转化值存在明显差异，我们进行了进一步的反应试验，以阐明每种杂质对甘油转化的影响。在这些测试中，单独添加了不同的杂质，并保持与粗甘油样品相同的浓度范围。根据得到的结果，我们引入了全局活性因子，从而修改了动力学模型，估算出粗甘油样品中的甘油转化率，平均相对误差为 7%。希望这一动力学模型能成为设计工业规模反应器的有力工具。

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

Reactions

CiteScore

2.70

自引率

0.00%

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