!**************************************************************************** ! ! 31-species reduced mechanism ! genrated by: Tianfeng Lu, tlu@engr.uconn.edu ! University of Connecticut ! 19-May-2018 ! ! based on ! ! HyChem model for GEVO ATJ (C1) ! Version 2.1 - High temperature chemistry ! ! Copyright © 2018 HyChem ! !**************************************************************************** ! ! HyChem model for GEVO ATJ (C1) ! Version 2.1 - High temperature chemistry ! ! K. Wang, R. Xu, T. Parise, J. Shao, A. Movaghar, D.J. Lee, J. Park, ! Y. Gao, T. Lu, F.N. Egolfopoulos, D.F. Davidson, R.K. Hanson, ! C.T. Bowman, H. Wang, A physics-based approach to modeling real-fuel ! combustion chemistry - IV. HyChem Modeling of Combustion Kinetics of ! a Bio-derived Jet Fuel and its Blends with a Conventional Jet A, ! Combustion and Flame 198 (2018) 477–489. ! ! Please contact Hai Wang at haiwang@stanford.edu for questions and comments. ! ! Copyright © 2018 HyChem ! !**************************************************************************** ! ! Model description: Seven reaction steps to describe C1 thermal ! decomposition and USC Mech IIa as the foundational fuel chemistry model. ! The cracked products considered are i-C4H8, C3H6, C2H4, H2, CH4, CH3, ! and H. The oxidation kinetics of these cracking products are described ! by USC Mech IIa. ! !**************************************************************************** ELEMENTS O H C N END SPECIES POSF11498 C2H4 CH4 C3H6 iC4H8 C4H81 H2 C2H6 CO C2H2 pC3H4 aC3H4 CH3 O2 H OH HO2 O H2O H2O2 CH2O CO2 C2H5 CH2CO C3H3 aC3H5 C2H3CHO iC4H7 C5H5 C6H5O N2 END REACTIONS END