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Kinetic modeling of liquid‐phase esterification of acetic acid with n‐butanol using heterogeneous poly(o‐methylene p‐toluene sulfonic acid) as catalyst
International Journal of Chemical Kinetics ( IF 1.5 ) Pub Date : 2020-07-16 , DOI: 10.1002/kin.21402
P. Nagveni 1, 2 , Reddi Kamesh 1, 2 , K. Yamuna Rani 1, 2
Affiliation  

Liquid‐phase esterification of acetic acid with n‐butanol to n‐butyl acetate is studied in the presence of a polymeric catalyst, that is, poly(o‐methylene p‐toluene sulfonic acid). The performance of the proposed catalyst is compared with the other commercially available homogeneous and heterogeneous catalysts in terms of its activity. Experiments are conducted in an isothermal stirred batch reactor to study the effects of speed of agitation, temperature, and catalyst loading on the rate of reaction. A concentration‐based pseudo‐homogeneous (PH) kinetic model and activity‐based kinetic models such as PH, Eley‐Rideal (ER), and Langmuir‐Hinselwood‐Hougen‐Watson (LHHW) models are developed. All the models considered in this study resulted in similar percentage deviation close to 4%. Further, kinetic models are validated through additional experiments, and it is observed that the simple concentration‐based PH model is able to predict experimental data with least deviation compared to activity‐based PH, ER, and LHHW models. The developed kinetic models are also tested using the Fisher‐Snedecor test (F‐test) and are found to be acceptable. By incorporating both modeling data and validation data, the overall absolute average deviations of different models are found to be concentration‐based PH model 4.354%, activity‐based PH model 5.006%, ER I model 5.189%, ER II model 5.403%, ER III model 5.437%, and LHHW model 6.104%, illustrating the superiority of the simple concentration‐based PH model.

中文翻译:

均相聚(邻甲基亚甲基对甲苯磺酸)为催化剂的乙酸与正丁醇液相酯化反应的动力学模型

乙酸与液相酯化Ñ丁醇至Ñ丁基乙酸酯在聚合催化剂,即,聚的存在进行了研究(ø -亚甲基p-甲苯磺酸)。就活性而言,将提出的催化剂的性能与其他市售的均相和非均相催化剂进行比较。在等温搅拌间歇反应器中进行实验,以研究搅拌速度,温度和催化剂负载量对反应速率的影响。建立了基于浓度的伪均质(PH)动力学模型和基于活动的动力学模型,例如PH,Eley-Rideal(ER)和Langmuir-Hinselwood-Hougen-Watson(LHHW)模型。本研究中考虑的所有模型均导致相似的百分比偏差接近4%。此外,动力学模型还通过其他实验进行了验证,与基于活动的PH相比,基于浓度的简单PH模型能够预测偏差最小的实验数据,ER和LHHW模型。还使用Fisher-Snedecor检验(F-test)对开发的动力学模型进行了测试,发现该模型是可以接受的。通过合并建模数据和验证数据,发现不同模型的总体绝对平均偏差为基于浓度的PH模型4.354%,基于活动的PH模型5.006%,ER I模型5.189%,ER II模型5.403%,ER III模型5.437%和LHHW模型6.104%,说明了简单的基于浓度的PH模型的优越性。
更新日期:2020-07-16
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