Thermodynamic data calculation for iron phases in sulfoaluminate cementitious materials prepared using solid wastes

作     者：WenlongWang Guolin Li Lizhi Zhou Changzai Ren 

作者机构：National Engineering Laboratory of Coal-fired Pollutants Emission ReductionShandong Provincial Key Lab of Energy Carbon Reduction and Resource UtilizationShandong UniversityJinan 250061China 

出 版 物：《Chinese Journal of Chemical Engineering》 (中国化学工程学报（英文版）)

年 卷 期：2019年第27卷第12期

页      面：2989-2993页

核心收录：

学科分类：083002[工学-环境工程] 0830[工学-环境科学与工程（可授工学、理学、农学学位）] 08[工学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学] 

基　　金：Supported by the Program for National Key R&D Plan(2017YFC0703100) 

主　　题：Sulfoaluminate cement Iron phase Thermodynamic data Gibbs free energy Solid waste utilization 

摘      要：The preparation of sulfoaluminate cementitious materials(SCM)is a promising way to massively utilize solid *** phases are significant in SCM system but the thermodynamic data of some key minerals,such as6 CaO·Al2 O3·2 Fe2 O3(C6 AF2)and 6 CaO·2 Al2 O3·Fe2 O3(C6 A2 F),are missing,which greatly hinders the SCM optimization in a theoretical *** work,for the first time,calculated the standard formation enthalpy,Gibbs free energy of formation,entropy and molar heat capacity for C6 AF2 and C6 A2 F and lowered the errors to the least with the reference of C4 AF data in the *** building the function diagram of Gibbs free energy changes with temperature for the basic iron phase formation reactions with the obtained thermodynamic data,it is proved that the formation likeliness of C6 AF2 is higher than that of C6 A2 F,as is accordant to the literatures and verifies the correctness of obtained *** work provides a good theoretical foundation to optimize SCM mineral system and to study relevant mechanism deeply.