Al2O3-V2O5体系的热力学优化  

Thermodynamic optimization of Al2O3-V2O5 system

作　　者：李徐刚 谢伟[1] 王耐 乔芝郁[1] 曹战民[1] LI Xugang;XIE Wei;WANG Nai;QIAO Zhiyu;CAO Zhanmin(School of Metallurgical and Ecological Engineering,University of Science and Technology Beijing,Beijing 100083,China;HBIS Group Tangsteel Company,Tangshan 063000,China)

机构地区：[1]北京科技大学冶金与生态工程学院,北京100083 [2]河钢集团唐钢公司,河北唐山063000

出　　处：《有色金属科学与工程》2019年第6期13-18,共6页Nonferrous Metals Science and Engineering

基　　金：国家自然科学基金资助项目(51674019)

摘　　要：在对Al2O3-V2O5体系相图、热力学数据以及晶体结构数据进行综述与评估的基础上,采用相图计算方法对Al2O3-V2O5体系进行热力学优化.液相采用修正的似化学模型进行描述,利用对近似处理液相中存在的短程有序.将液相模型的最大短程有序设置在AlVO4处,将VO 43-当作液相中V2O5的基本组成单元.体系中AlVO4相看作线性化合物.计算结果很好的重现了选定的实验数据,获得了一套合理、可靠、自洽的模型参数用来描述体系中各相的热力学性质,为Al2O3负载V2O5型催化剂催化性能的提高打下坚实的基础.On the basis of summarizing and evaluating the phase diagram,thermodynamic data and crystal structure data of Al2O3-V2O5 system,thermodynamic optimization of Al2O3-V2O5 system is carried out by using phase diagram calculation method.The liquid phase is described by the modified quasichemical model with the pair approximation,which takes short-range ordering in liquid solution into account.The VO 43-is considered as the basic building unit of V2O5 in the liquid solution and the maximum short-range ordering is set at the AlVO 4 composition.The AlVO 4 phase is treated as stoichiometric compound.The experimental data are reproduced well and a set of self-consistent model parameters is obtained to describe the thermodynamic property of every phase in this binary system.The present study can be used as a basis for improving the catalytic performance of the catalyst supporting V2O5 on Al2O3.

关 键 词：Al2O3-V2O5 修正的似化学模型 热力学 相图 

分 类 号：TF801.1[冶金工程—有色金属冶金]