摘要
The Chinese standard method of GB/T 4000e2017 was unable to accurately measure the coke thermal properties in the large blast furnace.Therefore,the coke compressive strength(CCS)test at a high temperature was designed to examine the coke thermal properties.Then,the large-scale coke model(sp^(2)C_(17421)sp^(3)C_(6579))was established.After,the ReaxFF molecular dynamics simulations were implemented to mimic the coke solution loss(CSL)and the CCS at the high temperature.It was found that the adsorption energy and the diffusion energy of micropores were greater than those of mesopores and macropores,indicating that the CSL reaction mainly happened in the coke micropore.It was discovered that the CSL reaction mechanism was the sp^(3)C oxidization mechanism with the transient state of ketene structure.And,it was detected that the CCS process was divided into the plastic deformation,the instantaneous fracture and the elastic deformation and yield,which was caused by the local reconstruction,the overall folding and the center stretching of carbon layer,respectively.By comparing simulated results with experiments,it was proved that obtained mechanisms were valid.The proposed experimental and simulated methods provided a novel method to measure and understand the coke thermal properties.
基金
supported by National Natural Science Foundation of China(22478004,22078002 and 21878001)
Joint Fund of the Yulin University and the Dalian National Laboratory for Clean Energy(YLU-DNL Fund 2022002)
Major Project of Philosophy and Social Science Research in Anhui Universities Supported by Department of Education Anhui Province(2023AH040333).
