!****************************************************************************
!
! A 39-species reduced HyChem model for Gasoline Shell D
!
! Developed by Ji-Woong Park, Tianfeng Lu (tianfeng.lu@uconn.edu)
! University of Connecticut
!
! based on
!
! HyChem model for Shell D Fuel
! Version 2.5 - Full model with NTC chemistry
!
! Copyright © 2020 HyChem
!
!****************************************************************************
!
! HyChem model for Shell D Fuel
! Version 2.5 - Full model with NTC chemistry
!
! R. Xu, C. Saggese, R. Lawson, A. Movaghar, T. Parise, J. Shao,
! R. Choudhary, J. Park, T. Lu, R.K. Hanson, D.F. Davidson, F.N. Egolfopoulos,
! A. Aradi, A. Prakash, V.R.R. Mohan, R. Cracknell, H. Wang,
! A physics-based approach to modeling real-fuel combustion chemistry
! - VI. Predictive kinetic models of gasoline fuels,
! Combustion and Flame 220 (2020) 475-487.
!
! Please contact Hai Wang at haiwang@stanford.edu for questions and comments.
!
! Copyright © 2020 HyChem
!
!****************************************************************************
!
! Model description: Eight reaction steps to describe the base hydrocarbon
! part (SDC8H14) of Shell D fuel high-temperature thermal decomposition.
! Additional eight reaction steps are added to describe the low-temperature
! fuel oxidation chemistry.
!
! The high-temperature pyrolysis products from the base hydrocarbon are
! considered as C2H4, CH4, C3H6, i-C4H8, benzene, tuluene, H2, CH3
! and H. The oxidation kinetics of these cracking products are described by
! USC Mech IIa. The ethanol component in the fuel is modeled using a detailed
! sub-model from Aramco 2.0.
!
!****************************************************************************
! 
! IMPORTANT NOTE FOR USERS
! PLEASE DO NOT TREAT SDC8H14 AS THE SHELL D FUEL, IT IS THE HYDROCARBON
! PART OF THE FUEL!
!
! To model the entire Shell D fuel, both the hydrocarbon component (SDC8H14) 
! and ethanol (C2H5OH) need to be specified in the reactant. Details can be
! found in Section 3.1 of the following paper.
! 
! R. Xu, C. Saggese, R. Lawson, A. Movaghar, T. Parise, J. Shao, 
! R. Choudhary, J. Park, T. Lu, R.K. Hanson, D.F. Davidson, F.N. Egolfopoulos, 
! A. Aradi, A. Prakash, V.R.R. Mohan, R. Cracknell, H. Wang, 
! A physics-based approach to modeling real-fuel combustion chemistry 
! - VI. Predictive kinetic models of gasoline fuels,
! Combustion and Flame 220 (2020) 475-487.
!
!****************************************************************************
ELEMENTS
O H C N 
END
SPECIES
SDC8H14         	C2H5OH          	C2H4            	CH4             	
C3H6            	iC4H8           	H2              	C2H6            	
CO              	C6H6            	C2H2            	C6H5CH3         	
C5H6            	pC3H4           	CH3             	O2              	
H               	OH              	HO2             	O               	
H2O             	H2O2            	CH2O            	CO2             	
CH2CO           	CH3CHO          	C3H3            	aC3H5           	
C2H3CHO         	C5H4O           	C5H5            	C6H5CH2         	
C6H5O           	C6H4O2          	C6H5CHO         	SDC8H13         	
SDC8H12         	SDC8H12O3       	
N2              	
END
REACTIONS 
END