Soot formation of n-decane pyrolysis: A mechanistic view from ReaxFF molecular dynamics simulation
作者： Lu Liu , Huajie Xu , Quan Zhu , Haisheng Ren , Xiangyuan Li
DOI: 10.1016/J.CPLETT.2020.137983
关键词:
摘要: … of soot formation for the n-decane pyrolysis by ReaxFF MD simulations and QM calculations. Characteristics of initial n-decane pyrolysis were first investigated by calculating the bond …
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