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金属学报  1982 

三元熔盐系NaCl-CaCl_2-SrCl_2的热力学性质和相图的计算机计算

, PP. 245-254

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Abstract:

本文利用CaCl-SrCl_2相图中,固相有一个溶解间断区(miscibilitygap)的信息,用亚正规溶液模型计算了该二元系液相和固相的Gibbs自由能.运用Toop方程的变通式即最近Hillert.M.提出的新的非对称方法,由组成NaCl-CaCl_2-SrCl_2三元系的二元系热力学性质预示了该三元系液相的Gibbs自由能,进而用计算机计算了三元液相中各组元的偏克分子Gibbs自由能和活度系数.由三元液相中组元NaCl,CaCl_2和SrCl_2的过剩偏克分子Gibbs自由能,根据相平衡原理,用计算机计算了该三元系的相图.计算结果对于钠电解的实践和盐湖资源的综合利用有实际意义.亚正规溶液模型和新的非对称方法可望适合于计算一系列有潜在重要性的电荷不对称熔盐体系的相图.如对Na,Ti,Mg,Ce电解及熔融氯化脱水制取无水氯化镁有实际意义的NaCl-CaCl_2-BaCl_2,NaCl-SrCl_2-BaCl_2,NaCl-CaCl_2-MgCl_2,KCl-CaCl_2-MgCl_2,KCl-NaCl-CeCl_3等三元相图.

References

[1]  1 Levin,E.M.,Phase Diagrams for Ceramists,Second Edition(1969) ,Supplement(1973) ,(1975) ,Am.Ceram.Soc.,Columbus,Ohio,Fig.1428,3304,3316. 2 Lin,P.L.;Pelton,A.D.;Bale,C.W.,J.Am.Ceram.Soc.,62(1980) ,416. 3 Hillert,M.,CALPHAD(Calculation of Phase Diagram),4(1980) ,1. 4 Mo,W.G.;Wu,S.M,;Qiao,Z.;Zhu,Y.K.,Unpublished Work.5 Lumsden,J.,Thermodynamics of Molten Salt Mixtures,Academic Press,London,1966,p.212,215. 6 Levin,E.M.,Phase Diagrams for Ceramists,Second Edition(1969) ,Am.Ceram.Soc.,Columbus,Ohio,Fig.1364. 7 Toop,G.W.,Trans.Metall.Soc.AIME,233(1965) ,850. 8 Pelton,A.D.;Thompson,W.T.,Progr.Solid State Chem.,10(1975) ,119. 9 Sadoway,D.R.;Flengas,S.N.,J.Electrochem.Soc.,122(1975) ,515. 10 Pelton,A.D.;Thompson,W.T.,Can J.Chem.,48(1970) ,1585. 11 Pelton,A.D.,Can.J.Chem.,49(1971) ,3919. 12 Muggianu,Y.-M;Gambino,M.;Bros,J.-P.,J.Chim.Phys.Phys-Chim.Biol.,72(1975) ,83. 13 Hillert,M.,Thermodynamic of Alloys,in Beijing University of Iron and Steel Technology,(1980) .x
[2]  1 Levin,E.M.,Phase Diagrams for Ceramists,Second Edition(1969) ,Supplement(1973) ,(1975) ,Am.Ceram.Soc.,Columbus,Ohio,Fig.1428,3304,3316. 2 Lin,P.L.;Pelton,A.D.;Bale,C.W.,J.Am.Ceram.Soc.,62(1980) ,416. 3 Hillert,M.,CALPHAD(Calculation of Phase Diagram),4(1980) ,1. 4 Mo,W.G.;Wu,S.M,;Qiao,Z.;Zhu,Y.K.,Unpublished Work.5 Lumsden,J.,Thermodynamics of Molten Salt Mixtures,Academic Press,London,1966,p.212,215. 6 Levin,E.M.,Phase Diagrams for Ceramists,Second Edition(1969) ,Am.Ceram.Soc.,Columbus,Ohio,Fig.1364. 7 Toop,G.W.,Trans.Metall.Soc.AIME,233(1965) ,850. 8 Pelton,A.D.;Thompson,W.T.,Progr.Solid State Chem.,10(1975) ,119. 9 Sadoway,D.R.;Flengas,S.N.,J.Electrochem.Soc.,122(1975) ,515. 10 Pelton,A.D.;Thompson,W.T.,Can J.Chem.,48(1970) ,1585. 11 Pelton,A.D.,Can.J.Chem.,49(1971) ,3919. 12 Muggianu,Y.-M;Gambino,M.;Bros,J.-P.,J.Chim.Phys.Phys-Chim.Biol.,72(1975) ,83. 13 Hillert,M.,Thermodynamic of Alloys,in Beijing University of Iron and Steel Technology,(1980) .x

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