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

doi:10.1016/j.cjche.2019.01.010

Chinese Journal of Chemical Engineering ›› 2019, Vol. 27 ›› Issue (12): 2989-2993.DOI: 10.1016/j.cjche.2019.01.010

• Chemical Engineering Thermodynamics • Previous Articles Next Articles

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

Wenlong Wang, Guolin Li, Lizhi Zhou, Changzai Ren

National Engineering Laboratory of Coal-fired Pollutants Emission Reduction, Shandong Provincial Key Lab of Energy Carbon Reduction and Resource Utilization, Shandong University, Jinan 250061, China

Received:2018-09-05 Revised:2018-11-13 Online:2020-03-17 Published:2019-12-28
Contact: Wenlong Wang
Supported by:
Supported by the Program for National Key R&D Plan (2017YFC0703100).

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

Wenlong Wang, Guolin Li, Lizhi Zhou, Changzai Ren

National Engineering Laboratory of Coal-fired Pollutants Emission Reduction, Shandong Provincial Key Lab of Energy Carbon Reduction and Resource Utilization, Shandong University, Jinan 250061, China

通讯作者: Wenlong Wang
基金资助:
Supported by the Program for National Key R&D Plan (2017YFC0703100).

Abstract

Abstract: 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 as 6CaO·Al₂O₃·2Fe₂O₃ (C₆AF₂) and 6CaO·2Al₂O₃·Fe₂O₃ (C₆A₂F), 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 C₆AF₂ and C₆A₂F and lowered the errors to the least with the reference of C₄AF 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 C₆AF₂ is higher than that of C₆A₂F, 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.

Key words: 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 wastes. Iron phases are significant in SCM system but the thermodynamic data of some key minerals, such as 6CaO·Al₂O₃·2Fe₂O₃ (C₆AF₂) and 6CaO·2Al₂O₃·Fe₂O₃ (C₆A₂F), 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 C₆AF₂ and C₆A₂F and lowered the errors to the least with the reference of C₄AF 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 C₆AF₂ is higher than that of C₆A₂F, 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.

关键词: Sulfoaluminate cement, Iron phase, Thermodynamic data, Gibbs free energy, Solid waste utilization

Wenlong Wang, Guolin Li, Lizhi Zhou, Changzai Ren. Thermodynamic data calculation for iron phases in sulfoaluminate cementitious materials prepared using solid wastes[J]. Chinese Journal of Chemical Engineering, 2019, 27(12): 2989-2993.

Wenlong Wang, Guolin Li, Lizhi Zhou, Changzai Ren. Thermodynamic data calculation for iron phases in sulfoaluminate cementitious materials prepared using solid wastes[J]. 中国化学工程学报, 2019, 27(12): 2989-2993.

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

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

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