Catalysis mechanism of solution loss reaction of metallurgical coke in blast furnace: Experimental and modeling study
Fuel(2021)
摘要
•ReaxFF firstly used to interpret catalysis mechanism of coke solution loss.•Positive and counter catalysis confirmed from both experiments and ReaxFF.•ReaxFF potentially feasible for modeling reaction systems involve macromolecules.
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关键词
Catalytic solution loss,Metallurgical coke,Activation energy,Molecular dynamics
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