Home > Papers

 
 
Thermal decomposition of methyl butenoate: influence of the carbon-carbon double bond
Li Xiaoyu #,You Xiaoqing,Chung K.Law *
Center for Combustion Energy, Tsinghua University, Beijing, 100084
*Correspondence author
#Submitted by
Subject:
Funding: 高等学校博士学科点专项科研基金与香港研究资助局研究用途补助金合作项目（No.20130002140006）
Opened online: 8 December 2016
Accepted by: none
Citation: Li Xiaoyu,You Xiaoqing,Chung K.Law.Thermal decomposition of methyl butenoate: influence of the carbon-carbon double bond[OL]. [ 8 December 2016] http://en.paper.edu.cn/en_releasepaper/content/4711902
 
 
In this work, we explored the influence of the carbon-carbon double bond on the thermal decomposition of short-chain methyl esters, namely methyl 3-butenoate and methyl 2-butenoate, which are isomers with C-C double bond at different locations. The bond dissociation energies and the potential energy surfaces of the decomposition reactions through directly C-C or C-O bond fission and hydrogen transfer bond fission were computed using the G3B3 method. Their rate constants were calculated on the basis of variational transition state theory. Results show that the position of the C=C bond influences significantly the decomposition rates, and the cis conformer of methyl 2-butenoate has the fastest decomposition rate than the trans conformer of methyl 2-butenoate and methyl 3-butenoate.
Keywords:Biodiesel; Thermal decomposition; Methyl 2-butenoate; Methyl 3-butenoate
 
 
 

For this paper
  • ● PDF (0B)
  • ● Revision 0 　　
  • ● Print this paper
  • ● Recommend this paper to a friend
  • ● Add to my favorite list

    Saved Papers

    Please enter a name for this paper to be shown in your personalized Saved Papers list

Tags
Add yours

Related Papers

Statistics
PDF Downloaded 154
Bookmarked 0
Recommend 0
Comments Array
Submit your papers