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
祝广鹏 1艾立群 1洪陆阔 1孟凡峻 2闻莉 1孙彩娇1
作者信息
- 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
- 折叠
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 1mm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.
Abstract
In order to study the decarburization effect of Fe-C-Mn alloy strips during solid-state decar-burization 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 mo-lecular dynamics simulation is basically the same as that calculated by solid state decarburization exper-iment.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 in-crease of Mn content inhibited C diffusion.Molecular dynamics simulation results shows that the in-crease 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Key words
solid-state steelmaking/gas-solid reaction/molecular dynamics/diffusion coefficient引用本文复制引用
出版年
2024
国家科技期刊平台
NSTL
万方数据