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Esterification of free fatty acids: experiments, kinetic modeling, simulation & optimization

机译：游离脂肪酸的酯化：实验，动力学建模，模拟和优化

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摘要

The development of the process which can mitigate the drawbacks of catalytic esterification and handles high free fatty acid (FFA) containing oils is the highly focused area in biodiesel production. In view of attaining the cleaner biodiesel production, the present research efforts are focused on studying the methyl esterification of FFA present in Karanja oil non-catalytically in a batch reactor. Kinetics of the reaction was modeled as the pseudo first order in the forward direction & second order bimolecular type in the backward direction to deduce kinetic parameters. The obtained parameters were used to simulate the process in Aspen plus (R). Experimental results show that 96% conversion of FFA can be achieved at 220 degrees C and 1:6 (w/v) oil to methanol ratio. The calculated activation energy and rate constant are 48.53kJ/mol and 0.641min(-1), respectively, for the forward reaction and 18.74kJ/mol and 4.18E(-4) (g)/(mgKOH.min) respectively, for the backward reaction. Simulation results showed a little higher conversion (99.85%) of oleic acid compared to the experimentally observed conversion (96%) at similar reaction conditions. The optimal process parameters were estimated using sensitivity analysis of Aspen Plus along with heat integration.
机译：可以减轻催化酯化的缺点并处理含高游离脂肪酸（FFA）的油的方法的开发是生物柴油生产中高度关注的领域。考虑到获得更清洁的生物柴油生产，当前的研究工作集中于研究间歇反应器中非催化地存在于Karanja油中的FFA的甲基酯化。将反应动力学建模为正向的拟一级反应和反向的二阶双分子反应，以推导动力学参数。所获得的参数用于模拟Aspen plus（R）中的过程。实验结果表明，在220摄氏度和1：6（w / v）的油与甲醇比例下，FFA的转化率为96％。对于正向反应，计算出的活化能和速率常数分别为48.53kJ / mol和0.641min（-1），对于正向反应，计算出的活化能和速率常数分别为18.74kJ / mol和4.18E（-4）（g）/（mgKOH.min）。落后的反应。模拟结果表明，与在类似反应条件下实验观察到的转化率（96％）相比，油酸的转化率更高（99.85％）。最佳工艺参数是使用Aspen Plus的灵敏度分析以及热集成来估算的。

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