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Model-to-model: Comparison of mathematical process models of lipase catalysed biodiesel production in a microreactor
Computers & Chemical Engineering ( IF 4.3 ) Pub Date : 2020-12-13 , DOI: 10.1016/j.compchemeng.2020.107200
Martin Gojun , Anabela Ljubić , Matea Bačić , Ana Jurinjak Tušek , Anita Šalić , Bruno Zelić

Based on the experimental results and model simulation it was shown that Bi-Bi Ping Pong mathematical process model is not suitable for the description of the lipase catalysed biodiesel production in a microreactor. Therefore, three additional mathematical process models were proposed. Prior to transport model development, the reaction rates were described with double substrate Michaelis-Menten kinetics, Bi-Bi Ping-Pong kinetics, and Hill kinetics. The Hill kinetic model was proposed as the best kinetic model based on the model selection criterion. In order to validate the proposed mathematical process models, biodiesel synthesis in a microreactor was performed at four different initial process conditions. In all validation experiments, free fatty acid concentration and enzyme concentration were kept constant and the oil to methanol ratio in the inlet streams was altered. An increase of biodiesel yield was observed for the higher methanol concentration in the system. If a large excess of methanol was used (oil to methanol ratio 1:90) the yield was higher than 90% for the residence time of only 40 min. In comparison to the batch process, where the yield of 96% was achieved for 48 h, this was a significant improvement. Two out of three proposed mathematical process models described experimental data very well for all analysed residence times. Considering the level of complexity and accuracy, a mathematical process model of steady-state two parallel plug flow reactors was proposed as the optimum solution for the mathematical description of enzymatic biodiesel synthesis performed in a microreactor.



中文翻译:

模型到模型:在微反应器中脂肪酶催化的生物柴油生产的数学过程模型的比较

根据实验结果和模型仿真,表明Bi-Bi Ping Pong数学过程模型不适合描述微反应器中脂肪酶催化的生物柴油生产。因此,提出了三个附加的数学过程模型。在建立运输模型之前,先用双底物Michaelis-Menten动力学,Bi-Bi Ping-Pong动力学和Hill动力学描述反应速率。根据模型选择标准,提出了希尔动力学模型作为最佳动力学模型。为了验证提出的数学过程模型,在四个不同的初始过程条件下在微反应器中进行了生物柴油合成。在所有验证实验中,游离脂肪酸浓度和酶浓度保持恒定,进口流中油与甲醇的比例发生了变化。在系统中较高的甲醇浓度下,观察到生物柴油产率的增加。如果使用大量过量的甲醇(油与甲醇的比例为1:90),则在仅40分钟的停留时间内收率会高于90%。与分批过程相比,分批过程在48小时内达到96%的产率,这是一个重大的进步。所提出的三个数学过程模型中有两个很好地描述了所有分析的停留时间的实验数据。考虑到复杂程度和准确性,

更新日期:2020-12-22
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