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Most probable reactive site of acid-catalyzed transesterification reaction for synthesis of biodiesel
ZHANG Pingbo *,HAN Qiuju,FAN Mingming,JIANG Pingping
The Key Laboratory of Food Colloids and Biotechnology, Ministry of Education, School of Chemical and Material Engineering, Jiangnan University, Wuxi 214122
*Correspondence author
#Submitted by
Subject:
Funding: the Specialized Research Fund for the Doctoral Program of Higher Education (New Teachers)（No.20100093120003）
Opened online:23 October 2013
Accepted by: none
Citation: ZHANG Pingbo,HAN Qiuju,FAN Mingming.Most probable reactive site of acid-catalyzed transesterification reaction for synthesis of biodiesel[OL]. [23 October 2013] http://en.paper.edu.cn/en_releasepaper/content/4564463
 
 
Using the Density Functional Theory (DFT), the issue of which to react first among the three ester bonds of the triglyceride was studied. The previous reports showed that the center ester bond was followed by the outside ester bond resulting in the transesterification reaction. However, this result was questioned by our research, suggesting that the transesterification of the outside ester bond is the most favorable process.
Keywords:biodiesel; transesterification; acid catalysis; density functional theory (DFT); Fukui function
 
 
 

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