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Catalysis mechanism of solution loss reaction of metallurgical coke in blast furnace: Experimental and modeling study

Zhao Lei,Jingchong Yan,Ruilun Xie, Zhe Yao,Chao Xue,Yujiao Tian,Ping Cui

Fuel（2021）

Cited 6|Views6
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Abstract
•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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Key words
Catalytic solution loss,Metallurgical coke,Activation energy,Molecular dynamics
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