钛的吸氢制备及其能量分析  

Preparation of titanium by hydrogenation and analysis of its energy

作　　者：赖奇 彭富昌 陈映志 张静 赵曦光 陈今良 吴毅 董英杰 Lai Qi;Peng Fuchang;Chen Yingzhi;Zhang Jing;Zhao Xiguang;Chen Jinliang;Wu Yi;Dong Yingjie(Vanadium and Titanium Resources Comprehensive Utilization Key Laboratory of Sichuan Province,Panzhihua 617000,Sichuan,China;Key Laboratory of Vanadium and Titanium Testing in China,Panzhihua 617000,Sichuan,China;Vanadium and Titanium College of Panzhihua University,Panzhihua 617000,Sichuan,China;Panzhihua Hangyou New Material Technology Co.,Ltd.,Panzhihua 617000,Sichuan,China)

机构地区：[1]钒钛资源综合利用四川省重点实验室,四川攀枝花617000 [2]国家钒钛检测重点实验室,四川攀枝花617000 [3]攀枝花学院钒钛学院,四川攀枝花617000 [4]攀枝花航友新材料科技有限公司,四川攀枝花617000

出　　处：《钢铁钒钛》2024年第6期34-38,共5页Iron Steel Vanadium Titanium

基　　金：四川省自然科学基金项目(2022NSFSC0223);钢城集团-攀枝花学院科研协同创新项目(HX2022096);四川省钒钛材料工程技术研究中心项目(2021-FTGC-YD09);攀枝花学院研究生创新计划项目(y2024018)。

摘　　要：以海绵钛为原料,在不同温度、不同时间下制备出氢化钛。根据重量变化分析其反应原理,用X射线衍射仪(XRD)进行结构分析,扫描电镜(SEM)进行形貌分析。结果显示:随反应温度升高,氢化钛质量增加率增大,脆性也变大。当温度高于500℃之后,质量增长率变化不大。热力学计算结果发现温度从300℃增加到700℃时,平衡常数显著下降,表明反应温度过高不利于反应进行。氢化过程的吸附能量计算表明其较优吸附位位于其中心点位。固溶能量分析表明氢原子更倾向于占据八面体间隙。Titanium hydride was prepared from sponge titanium at different temperatures and time.Perform structural analysis using X-ray diffraction(XRD)and morphology analysis using scanning electron microscopy(SEM).The results show that with the increase of reaction temperature,the mass growth rate of titanium hydride increases,and the brittleness also increases.When the temperature exceeds 500℃,there is little change in the mass growth rate.The thermodynamic calculation results show that when the temperature increases from 300℃to 700℃,the equilibrium constant significantly decreases,indicating that a high reaction temperature is not conducive to the reaction.The calculation of adsorption energy in the hydrogenation process shows that the optimal adsorption site is located at its central point.Solid solution energy analysis shows that hydrogen atoms tend to occupy octahedral gaps more.

关 键 词：氢化钛 海绵钛 反应温度 逼近原理 氢化 

分 类 号：TF823[冶金工程—有色金属冶金]