%0 Journal Article
%T <br>
%A JUNGIn-Ho
%A 丁国慧
%A 乔芝郁
%A 曹战民
%A 杜广巍
%A 谢伟
%J 物理化学学报
%D 2015
%R 10.3866/PKU.WHXB201508121
%X 基于严格评估的相图和热力学实验数据,采用相图计算方法对MgO-P2O5和CaO-P2O5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,考虑了对近似处理液相中存在的短程有序.为了描述M3(PO4)2(M = Mg, Ca)组分处的最大短程有序,将PO43-当作液相中P2O5的基本组成单元.体系中所有的中间相都看作线性化合物并考虑了晶型转变.获得一套合理、可靠、自洽的模型参数用来描述体系中各相的热力学性质,在实验误差范围内很好地重现了相图、焓、熵和活度实验数据,为炼钢脱磷过程中熔渣体系热力学数据库的建立打下了坚实的基础.<br>The MgO-P2O5 and CaO-P2O5 systems have been thermodynamically assessed based on the available phase diagram and thermodynamic data using the Calculation of Phase Diagram (CALPHAD) 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 PO43- is considered as the basic building unit of P2O5 in the liquid solution since the maximum short-range ordering occurs at the M3(PO4)2 (M = Mg, Ca) composition. All intermetallic phases are treated as stoichiometric compounds and the phase transformations are considered. A set of self-consistent model parameters is obtained to describe the thermodynamic property of every phase in these two binary systems, by which the published phase diagram, enthalpy, entropy, and activity data are reproduced well within experimental error limits. The present study can be used as a basis for the development of a thermodynamic database of molten slag system for the steelmaking dephosphorus process
%U http://www.whxb.pku.edu.cn/CN/Y2015/V31/I10/1853