| 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 18, 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 |
| 1.1. HP-Mech v3.3 for DME Updated: June 22, 2018 | Authors: Christopher B. Reuter, Rui Zhang, Omar R. Yehia, Yacine Rezgui, Yiguang Ju Citation: Christopher B. Reuter, Rui Zhang, Omar R. Yehia, Yacine Rezgui, Yiguang Ju, Counterflow flame experiments and chemical kinetic modeling of dimethyl ether/methane mixtures, Combustion and Flame, 196(2018), Pages 1-10 | Detailed model Thermo database Transport database |
| 1.2. HP-Mech for Methanol (the latest version) Updated: September 7, 2022 | Citation: Z. Wang, H. Zhao, C. Yan, Y. Lin, A.D. Lele, W. Xu, B. Rotavera, A.W. Jasper, S.J. Klippenstein, Y. Ju, Methanol oxidation up to 100 atm in a supercritical pressure jet-stirred reactor, Proc. Combust. Inst., 2023, in press. | Detailed model Thermo database Transport database |
| 1.3. HP-Mech for DME (the latest version) Updated: February 23, 2022 | Citation: C. Yan, H. Zhao, Z. Wang, G. Song, Y. Lin, A.W. Jasper, S.J. Klippenstein, Y. Ju, Low- and intermediate-temperature oxidation of dimethyl ether up to 100 atm in a supercritical pressure jet-stirred reactor, Combust. Flame, in press (2022) 112059. | 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 presentationFor 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) 1793-1805For 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 |