ReaxFF Molecular Dynamics Simulation of the Cracking of Components of Vacuum Gasoil in the Presence of a Nickel Nanocluster

被引:0
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作者
R. Kh. Shayakhmetova
E. M. Khamitov
机构
[1] Bashkir State University,
[2] Ufa Institute of Chemistry,undefined
[3] Ufa Federal Research Center,undefined
[4] Russian Academy of Sciences,undefined
关键词
ReaxFF; molecular dynamics; cracking; gasoil; pentacosane; pentadecylbenzene; heptadecylcyclohexane; nanocluster; nanoheterogenous catalysis; nickel nanocluster;
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页码:317 / 325
页数:8
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