Abstract
Alcohol assisted hydrocarbon fuels regenerative cooling is a promising method to deal with scramjet engine heat management of hypersonic flight vehicle. To reveal the effect of alcohol on hydrocarbon fuels pyrolysis pathway, ReaxFF molecular dynamics simulation was done to investigate the variation of intermediate fragments in methanol/ethanol assisted n-decane pyrolysis process. Results shows that, two alcohols increase the initial cracking temperature of n-decane. Two alcohols turn the first-step cracking products of n-decane from C3H7 + C7H15 to C5H11 + C5H11, and make n-decane cracking into C2H5 + C8H17 possible. Initial pyrolysis of n-decane with methanol and ethanol can be coupled by CH3 and C2H5 free radical respectively. In the subsequent pyrolysis process, C10 are completely consumed within 10 ps. C7-C9 fragments are transient intermediates and can hardly accumulate. Experiment indicates that 450–500 °C is the decisive temperature range for n-decane cracking, and adding methanol or ethanol increase the initial cracking temperature of n-decane pyrolysis.
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