volume 160, issue 4, P766-775 2013
DOI: 10.1016/j.combustflame.2012.12.007
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Fidel Castro-Marcano, Adri C.T. van Duin

Abstract: a b s t r a c tEndothermic catalytic cracking of hydrocarbon fuels is one of the most effective methods for thermal management in high-speed jet engines. Despite extensive research, improved understanding of fundamental reaction mechanisms and chemical events associated with hydrocarbon cracking reactions remains desirable. In this investigation, we used the ReaxFF force field to investigate the initial reaction pathways involved in hydrocarbon cracking over amorphous silica, hydrated amorphous silica, and am…

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