Kinetic and quantum chemical studies on the esterification of acetic acid with n-butanol catalysed by a NaY zeolite-supported organophosphonic acid

被引：2
|
作者：
Chen, Lei [1 ]
Yin, Ping [1 ]
Hu, Yucai [1 ]
Zhang, Jiang [1 ]
Xu, Qiang [1 ]
Tang, Qinghua [1 ]
机构：
[1] Ludong Univ, Sch Chem & Mat Sci, Yantai 264025, Peoples R China
来源：
PROGRESS IN REACTION KINETICS AND MECHANISM | 2011年 / 36卷 / 03期
关键词：
n-butyl acetate; catalysis; esterification; kinetics; quantum chemistry; organophosphonic acid; ION-EXCHANGE-RESINS; EFFICIENT;
D O I：
10.3184/146867811X13095318137098
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The esterification of acetic acid with n-butanol catalysed by NaY zeolite molecular sieve-supported organophosphonic acid has been studied. The effects of the most relevant variables of the process, such as the molar ratio between alcohol and acid, and the amount of catalyst utilised, have been studied to optimize the reaction conditions, and the final conversion achieved could reach 96.55%. Moreover, the kinetics and quantum chemistry of this reaction were also studied, and the relevant values of the activation energy, pre-exponential factor, Mulliken charge distribution, and protonation energy were obtained.
引用
收藏
页码：259 / 271
页数：13
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