固态脱碳过程中碳的扩散行为研究  

Study on the diffusion behavior of carbon during solid-state decarbonization process

作　　者：祝广鹏 艾立群 洪陆阔 孟凡峻 闻莉 孙彩娇 Zhu Guangpeng;Ai Liqun;Hong Lukuo;Meng Fanjun;Wen Li;Sun Caijiao(Collegee of Metallurgy and Energy,North China University of Science and Technology,Tangshan 063210,Hebei,China;Hebei Iron and Steel Coating Anti-Corrosion Technology Innovation Center,Jingye Iron and Steel Co.,Ltd.,Shijiazhuang 050400,Hebei,China)

机构地区：[1]华北理工大学冶金与能源学院,河北唐山063210 [2]敬业钢铁有限公司(河北省钢铁涂镀防腐技术创新中心),河北石家庄050400

出　　处：《钢铁钒钛》2024年第6期127-132,共6页Iron Steel Vanadium Titanium

基　　金：河北省自然科学基金(E2021209101,E2022209112);中央引导地方科技发展资金项目(236Z1006G);河北省高等学校科学技术研究项目(ZD2022125);唐山市人才资助项目(A20220212)。

摘　　要：为研究Fe-C-Mn合金薄带固态脱碳过程脱碳效果及Mn含量对C原子扩散作用,以1 mm厚的Fe-2.7%C-(5%,12%)Mn合金成分薄带为研究对象进行固态脱碳试验,利用lammps软件开展分子动力学模拟试验,探索Mn含量对C原子扩散的定性规律。结果表明:分子动力学模拟结果同固态脱碳试验结果计算扩散激活能基本一致,5%Mn在1223、1323 K和1363 K温度下脱碳试验结果和分子动力学模拟理论结果得到的C原子的扩散激活能分别为78.549 kJ·mol^(-1)和83.805 kJ·mol^(-1)。在1363 K进行固态脱碳试验,5%Mn和12%Mn合金薄带5~20 min主要限制性环节为内部碳扩散,12%Mn脱碳效果不如5%Mn,表明Mn含量增加对C扩散起到抑制作用。分子动力学模拟结果表明Mn含量增加会降低C原子扩散能力。In order to study the decarburization effect of Fe-C-Mn alloy strips during solid-state decarburization and the diffusion effect of Mn content on C atoms,the solid-state decarburization test was carried out with Fe-2.7%C-(5%,12%)Mn alloy composition and 1 mm thickness strips.The molecular dynamics simulation test was carried out by using Lammps software to explore the qualitative law of Mn content on C atom diffusion.The results show that the diffusion activation energy calculated by molecular dynamics simulation is basically the same as that calculated by solid state decarburization experiment.The diffusion activation energy of C atom in 5%Mn at 1223 K,1323 K and 1363 K is 78.549 kJ·mol^(-1) and 83.805 kJ·mol^(-1),respectively.The solid-state decarburization test was carried out at 1363 K.The main limiting step of 5%Mn and 12%Mn alloy strips for 5~20 min was internal carbon diffusion.The decarburization effect of 12%Mn was not as good as that of 5%Mn,indicating that the increase of Mn content inhibited C diffusion.Molecular dynamics simulation results shows that the increase of Mn content reduces the diffusion ability of C atoms.

关 键 词：固态炼钢 气固反应 分子动力学 扩散系数 

分 类 号：TF746[冶金工程—钢铁冶金] TF704.5