Low temperature autoignition of 5-membered ring naphthenes: Effects of substitution

The submitted manuscript has been created in part by UChicago Argonne, LLC, Operator of Argonne National Laboratory (“Argonne”). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract no. DE-AC02-06CH11357. The U.S. Government retains for itself, and others acting on its behalf, a paid-up nonexclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan. http://energy.gov/downloads/doe-public-access-plan. This work is performed under the auspices of the Office of Energy Efficiency and Renewable Energy, Office of Vehicle Technology, U.S. Department of Energy, under contract number DE-AC02-06CH11357. KAUST CCRC is grateful to Saudi Aramco for sponsoring this research under the FUELCOM program, and the Office of Sponsored Research (OSR) at KAUST under Award no. OSR-2016-CRG5-3022. The work at LLNL is supported by the U.S. Department of Energy, Vehicle Technologies Office (program managers Gurpreet Singh and Leo Breton) and performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. The authors acknowledge the assistance of Jeffrey Santner and Toby Rockstroh for their efforts to maintain and operate ANL’s tpRCM, Robert Tranter at ANL for helpful discussions, and Dr. Samah Mohamed and Mr. Tony Bissoonauth (KAUST) for help with the kinetic modeling.