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Parametric optimization and rate laws determination for the conversion of 4-tert-butylbenzoic acid to methyl 4-tert-butylbenzoate
Indian Journal of Chemical Technology ( IF 0.5 ) Pub Date : 2019-08-09
Alka Kumari, Vineet Aniya, B N Pavan Kumar, P K Thella, B Satyavathi

The esterification of 4-tert-butylbenzoic acid has been studied to produce methyl 4-tert-butylbenzoate, having its widespread applications in the pharmaceuticals, perfumes, flavor, cosmetics, and fragrance industries. The limiting nature of the reaction is catalyzed with methane sulphonic acid, a green catalyst. The study focused on optimization of the experimental parameters to achieve higher conversion of acid with the aid of statistical analysis based on the Taguchi technique. An L9 array, S/N ratios, and ANOVA have been used with catalyst concentration, molar ratio and time as the process parameters with acid conversion as the response variable. Parametric optimization based on Taguchi method suggest a combination of optimal parameters as 10% catalyst concentration, 5:1 methanol to acid molar ratio and 2 h at a refluxing temperature of 67°C. A kinetic investigation for the esterification is also conducted to define the rate equations that govern the overall progress of reaction and the results established that the reaction follows irreversible pseudo second order rate in the initial phase followed by the reversible second order rate. The proposed model is found to be in good agreement with the experimental results.

中文翻译:

4-叔丁基苯甲酸转化为4-叔丁基苯甲酸甲酯的参数优化和速率定律确定

的酯化4-叔-butylbenzoic酸进行了研究,以产生甲基4-叔-butylbenzoate,具有其在医药,香料,香精,化妆品和香料行业广泛的应用。反应的限制性性质是用甲烷磺酸(一种绿色催化剂)催化的。该研究的重点是借助基于Taguchi技术的统计分析,优化实验参数以实现更高的酸转化率。安9阵列,信噪比和方差分析均以催化剂浓度,摩尔比和时间为工艺参数,酸转化率作为响应变量。基于Taguchi方法的参数优化建议将最佳参数组合在一起,例如10%的催化剂浓度,5:1的甲醇与酸的摩尔比以及在67°C的回流温度下2 h。还进行了酯化反应的动力学研究,以定义控制反应总体进程的速率方程式,结果表明,反应在初始阶段遵循不可逆的拟二级速率,然后是可逆的二级速率。发现该模型与实验结果吻合良好。
更新日期:2019-08-09
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