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     1.HP-Mech

    

     A high pressure mechanism for H2, CO,   

     CH2O, CH4, CH3OH, C2H2, C2H4, C2H6 

     with EGR effects ( CO2 and H2O) and HCO

     prompt reactions.

   

    Updated: May 18th, 2017

 

Authors: Xueliang Yang, Xiaobo Shen, Jeffery Santer,   Hao Zhao, and Yiguang Ju    
 

Collaborators: Michael P. Burke, Emily A. Carter, Stephen Dooley, Fred L. Dryer, Francis M. Haas, Stephen Klippenstein, Katharina Kohse-Höinghaus, Chung K. Law,  Dong Liu, Wenting Sun, Ting Tan, Sheng Yang, Sang Hee Won

 

HP-Mech Citation and Validation

 

 

Detailed model 

Thermo database

Transport database

 

         

     2. Methyl Esters

    

      A chemical kinetic model encompassing the

      high temperature oxidation chemistry of methyl

      formate, methyl ethanoate, methyl propanaote,

      methyl butanoate, methyl pentanoate, methyl  

      hexanoate and methyl decanoate.

 

      Updated: June 18th, 2012

 

 

Author: Pascal Diévart, Yiguang Ju

 

Citation:

P. Diévart, S.H. Won, J. Gong, S. Dooley, Y. Ju, A Comparative Study of the Chemical Kinetic Characteristics of Small Methyl Esters in Diffusion Flame Extinction, Proceedings of the Combustion Institute, Vol. 34, 2013, accepted for presentation

For reduced kinetic models, also cite references for "PRINCETON CHEM-RC"

Detailed model

Reduced model for methyl formate to methyl pentanoate

Reduced model for methyl hexanoate

Reduced model for methyl decanoate

Thermo database

Transport database

 

      3. Methyl Butanoate and Decanoate

     

      A low and high temperature kinetic model for   

      methyl decanoate and butanoate.

 

      Updated: February 16th, 2012

 

 

Author: Pascal Diévart, Yiguang Ju

 

Citation:

P. Diévart, S.H. Won, S. Dooley, F.L. Dryer, Y. Ju, A kinetic model for methyl decanoate combustion, Combustion and Flame 157 (2012) 1793-1805

For reduced kinetic models, also cite references for "PRINCETON CHEM-RC"

Detailed model

Reduced model 1

Reduced model 2

Thermo database

Transport database

 

      4. Methyl proanaote

     

      A low and high temperature kinetic model for   

      methyl propanaote.

 

      Updated: May 18th, 2017

 

 

Author: Xueliang Yang, Hao Zhao, Daniel Felsmann, Ting Tan, Yiguang Ju

 

Citation:

Daniel Felsmann, Hao Zhao, Qiang Wang, Isabelle Graf, Ting Tan, Xueliang Yang, Emily A. Carter, YiguangJu, Katharina Kohse-Höinghaus, Contributions to improving small ester combustion chemistry: theory, model and experiments, Proceedings of the Combustion Institute, 36 (2016) 1-10. 

 

Detailed model

Thermo database

Transport database

 

      5. Ozone mechanism

     

      A low and high temperature kinetic model for   

      ozone.

 

      Updated: May 18th, 2017

 

 

Author: Xueliang Yang, Hao Zhao, Yiguang Ju

 

Citation:

H. Zhao, X. Yang, Y. Ju, Kinetic studies of ozone assisted low temperature oxidation of dimethyl ether in a flow reactor using molecular-beam mass spectrometry, Combustion and Flame 173 (2016) 187-194.

Detailed model

Thermo database

Transport database

 

 

 

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Any comments and problems on this site, please contact yju@princeton.edu