ZnO-V2O5体系的热力学优化
首发时间:2018-10-31
摘要:本文对ZnO-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,并采用阴阳离子贡献法对中间化合物ZnV2O6、Zn2V2O7、Zn3V2O8和Zn4V2O9的298K生成焓(元素参考态)和标准熵进行估算。通过对ZnO-V2O5体系的液相及中间化合物建立热力学模型,利用相图计算技术(CALPHAD)进行热力学优化,最终获得一套合理、可靠、自洽的模型参数,很好地重现了实验相图并获得了可靠的热力学数据。
关键词: ZnO-V2O5 阴阳离子贡献法 相图 热力学模型
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Thermodynamic Optimization of ZnO-V2O5 System
Abstract:In this paper,the ZnO-V2O5 system phase diagram,thermodynamic data and crystal structure data were reviewed and evaluated. And the enthalpy of formation (element reference) and standard entropy of 298K for ZnV2O6,Zn2V2O7,Zn3V2O8 and Zn4V2O9 were estimated byusing the method of anion and cation contribution. The ZnO-V2O5 system was thermodynamically optimized by using the Calculation of Phase Diagram technique(CALPHAD),which included the establishment of the thermodynamic model for the liquid phase and stoichiometric compounds.Finally, a series of reasonable,reliable and self-consistent model parameters were obtained. The phase diagram of ZnO-V2O5 system was well reproduced and obtained the raliable thermodynamic data.
Keywords: ZnO-V2O5 Method of anion and cation contribution Phase Diagram Thermodynamic model
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