Al2O3-V2O5体系的热力学优化

Thermodynamic optimization of Al2O3-V2O5 system

  • 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VO43-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.

     

    Abstract: 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 VO43- is considered as the basic building unit of V2O5 in the liquid solution and the maximum short-range ordering is set at the AlVO4 composition. The AlVO4 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.

     

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