·1646 工程科学学报,第43卷,第12期 a blast furnace:A molecular dynamics simulation investigation. [93]Bi Z S,Li K J,Jiang C H,et al.Effects of amphoteric oxide (Al2O; J0M,2020,72(7:2713 and B2O3)on the structure and properties of SiOz-CaO melts by [87]Jiang C H,Li K J,Zhang J L,et al.Effect of MgO/AlO;ratio on molecular dynamics simulation.J Non Cryst Solids,2021,559: the structure and properties of blast furnace slags:A molecular 120687 dynamics simulation./Non Cryst Solids,2018,502:76 [94]Jiang C H,Li K J,Zhang JL et al.Structural characteristics of [88]Jiang C H,LiKJ,Zhang JL,et al.Molecular dynamics simulation liquid iron with various carbon contents based on atomic on the effect of MgO/AlO;ratio on structure and properties of simulation.J Mol Lig,2021,342:116957 blast fumace slag under different basicity conditions.Metall Mater [95]Jiang C H,Zhang J L,Li K J,et al.Influence of graphite Trans B,2019,50(1):367 crystalline orientation on the carbon dissolution reaction in liquid [89]Jiang C H,Li K J,Zhang J L,et al.The effect of CaO(MgO)on iron:A ReaxFF molecular dynamics simulation study.J Mol Lig, the structure and properties of aluminosilicate system by molecular 2021,335:115688 dynamics simulation./Mol Lig,2018,268:762 [96]Jiang C H,Xiong Z X,Li K J,et al.Molecular dynamics [90]Jiang C H,Li K J,Zhang JL,et al.The effect of CaO and MgO on simulation study on the wetting behavior of liquid iron and the structure and properties of coal ash in the blast furnace:A molecular dynamics simulation and thermodynamic calculation. graphite.J Mol Lig,2020,311:113350 Chem Eng Sci,2019,210:115226 [97]Li K J,Khanna R,Zhang H,et al.Thermal behaviour during initial [91]Bi Z S,Li K J,Jiang C H,et al.Performance and transition stages of graphene oxidation:Implications for reaction kinetics and mechanism from acidity to basicity of amphoteric oxides (Al2O3 mechanisms.Chem Eng J,2021,421:129742 and B2O)in SiO2-CaO-Al2O;-B2O system:A molecular [98]Li K J,Khanna R,Zhang H,et al.Thermal behaviour,kinetics and dynamics study.Ceram Int,2021,47(9):12252 mechanisms of CO,interactions with graphene:An atomic scale [92]Bi Z S,Li K J,Jiang C H,et al.Effects of B2O3 on the structure reactive molecular dynamic study.Chem Eng/,2021,425:131529 and properties of blast furnace slag by molecular dynamics [99]Tonomura S.Outline of course 50.Energy Procedia,2013,37: simulation.J Non Cryst Solids,2021,551:120412 7160a blast furnace: A molecular dynamics simulation investigation. JOM, 2020, 72(7): 2713 Jiang C H, Li K J, Zhang J L, et al. Effect of MgO/Al2O3 ratio on the structure and properties of blast furnace slags: A molecular dynamics simulation. J Non Cryst Solids, 2018, 502: 76 [87] Jiang C H, Li K J, Zhang J L, et al. Molecular dynamics simulation on the effect of MgO/Al2O3 ratio on structure and properties of blast furnace slag under different basicity conditions. Metall Mater Trans B, 2019, 50(1): 367 [88] Jiang C H, Li K J, Zhang J L, et al. The effect of CaO(MgO) on the structure and properties of aluminosilicate system by molecular dynamics simulation. J Mol Liq, 2018, 268: 762 [89] Jiang C H, Li K J, Zhang J L, et al. The effect of CaO and MgO on the structure and properties of coal ash in the blast furnace: A molecular dynamics simulation and thermodynamic calculation. Chem Eng Sci, 2019, 210: 115226 [90] Bi Z S, Li K J, Jiang C H, et al. Performance and transition mechanism from acidity to basicity of amphoteric oxides (Al2O3 and B2O3 ) in SiO2−CaO−Al2O3−B2O3 system: A molecular dynamics study. Ceram Int, 2021, 47(9): 12252 [91] Bi Z S, Li K J, Jiang C H, et al. Effects of B2O3 on the structure and properties of blast furnace slag by molecular dynamics simulation. J Non Cryst Solids, 2021, 551: 120412 [92] Bi Z S, Li K J, Jiang C H, et al. Effects of amphoteric oxide (Al2O3 and B2O3 ) on the structure and properties of SiO2−CaO melts by molecular dynamics simulation. J Non Cryst Solids, 2021, 559: 120687 [93] Jiang C H, Li K J, Zhang J L, et al. Structural characteristics of liquid iron with various carbon contents based on atomic simulation. J Mol Liq, 2021, 342: 116957 [94] Jiang C H, Zhang J L, Li K J, et al. Influence of graphite crystalline orientation on the carbon dissolution reaction in liquid iron: A ReaxFF molecular dynamics simulation study. J Mol Liq, 2021, 335: 115688 [95] Jiang C H, Xiong Z X, Li K J, et al. Molecular dynamics simulation study on the wetting behavior of liquid iron and graphite. J Mol Liq, 2020, 311: 113350 [96] Li K J, Khanna R, Zhang H, et al. Thermal behaviour during initial stages of graphene oxidation: Implications for reaction kinetics and mechanisms. Chem Eng J, 2021, 421: 129742 [97] Li K J, Khanna R, Zhang H, et al. Thermal behaviour, kinetics and mechanisms of CO2 interactions with graphene: An atomic scale reactive molecular dynamic study. Chem Eng J, 2021, 425: 131529 [98] Tonomura S. Outline of course 50. Energy Procedia, 2013, 37: 7160 [99] · 1646 · 工程科学学报,第 43 卷,第 12 期