The preparation of sulfoaluminate cementitious materials(SCM)is a promising way to massively utilize solid wastes.Iron phases are significant in SCM system but the thermodynamic data of some key minerals,such as6 CaO&...The preparation of sulfoaluminate cementitious materials(SCM)is a promising way to massively utilize solid wastes.Iron 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 way.This 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 literature.By 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 data.This work provides a good theoretical foundation to optimize SCM mineral system and to study relevant mechanism deeply.展开更多
基金Supported by the Program for National Key R&D Plan(2017YFC0703100).
文摘The preparation of sulfoaluminate cementitious materials(SCM)is a promising way to massively utilize solid wastes.Iron 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 way.This 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 literature.By 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 data.This work provides a good theoretical foundation to optimize SCM mineral system and to study relevant mechanism deeply.
