Thermodynamic description of the CuBr-MBr (M=Na, K, Rb) pseudo-binary systems

摘要：

Based on the experimental data of phase diagram and mixing enthalpy of liquid phase, the thermodynamic descriptions of the CuBr-NaBr, CuBr-KBr and CuBr-RbBr pseudo-binary systems were obtained by the calculation of phase diagrams (CALPHAD) method using FactSage software. The Gibbs energy descriptions of CuBr, NaBr, KBr and RbBr were taken from SGTE pure substance database, and the ΔfH298, S298 of intermediate compounds K2CuBr3, Rb3CuBr4 and RbCu2Br3 were firstly determined in this study, and the heat capacities of these compounds were estimated by the Neumann-Kopp rule. The Gibbs energies of the liquid phases were described by the substitutional solution model with a polynomial for the excess Gibbs energy. The calculated phase diagrams and the mixing enthalpies using the obtained thermodynamic description agreed well with the experimental data.

关键词： CuBr-NaBr CuBr-KBr CuBr-RbBr CALPHAD thermodynamic description

作者: CAO Zhanmin WANG Kunpeng DU Guangwei QIAO Zhiyu

作者单位: School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing 100083, China

会议类型: 国际会议

会议名称: The 3rd Asian Conference on Molten Salts and Ions Liquids 2011(第三届亚洲熔盐与离子液体会议)

会议地点: 哈尔滨

会议语种:英文

页码: 196-198

在线出版日期: 2011-01-06（万方平台首次上网日期，不代表论文的发表时间）