利用高镁固体废物合成硫铝酸盐-磷酸盐胶凝材料熟料的热力学预测与研究

IF 5.1 2区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Ceramics International Pub Date : 2025-04-01 DOI:10.1016/j.ceramint.2025.01.110

Changzai Ren , Yuxiao Zhao , Kai Wu , Shuang Wu , Wenlong Wang , Lei Chen

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引用次数: 0

摘要

高镁固废凝结时间长、迟滞膨胀等特点制约了高镁固废在水泥中的大规模利用。新型硫铝酸盐-磷酸盐胶凝材料（SAC-MKPC）熟料包括MgO、2CaO·SiO2 （C2S）和3CaO·3Al2O3·CaSO4 (C4A3$)， MgO与KH2PO4在水化反应中形成MgKPO4·6H2O，消除了MgO在水泥体系中的劣势，显著提高了高镁固废在水泥生产中的利用率。本文利用FactSage软件对关键相C4A3$和原料中代表性氧化物相互作用的热力学数据，提出了一种基于热力学计算的预测方法，并通过实验验证了预测方法的准确性。模拟结果表明，C4A3$有4种可能的生成途径，C4A3$的标准生成焓、标准吉布斯自由能和标准熵的修正值分别为- 8458.41 kJ mol−1、-8338.97 kJ mol−1和400.79 kJ mol−1。FactSage模拟结果与实验结果吻合较好，证实了在1100 ~ 1300℃时，CaO-SiO2-Al2O3-CaSO4-MgO体系中主相（MgO-C4A3$-C2S）可以共存。本文的研究结果不仅为C4A3$的关键热力学数据提供了理论支持，而且可以进一步推动高镁固废在新型SAC-MKPC水泥中的应用。

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Thermodynamic prediction of and synthesis of sulfoaluminate-phosphate cementitious material clinker using high magnesium solid waste

The extended setting time and hysteresis expansion characteristics of high magnesium solid waste restrict the large-scale utilization in cement. The novel sulfoaluminate-phosphate cementitious material (SAC-MKPC) clinker including MgO, 2CaO·SiO₂ (C₂S) and 3CaO·3Al₂O₃·CaSO₄ (C₄A₃$), furthermore, MgO combined with KH₂PO₄ formed MgKPO₄·6H₂O in the hydration reaction, which eliminates the disadvantage of MgO in the cement system and significantly increases the use of high magnesium solid waste in cement production. The present work provides an prediction method based on thermodynamic calculations using FactSage software of thermodynamic data pertaining to the key phase C₄A₃$ and the interactions of representative oxides in the raw materials, and then, the accuracy of the prediction method was verified by experiment. Simulation results have shown that C₄A₃$ may be generated through four possible pathways, and the corrected standard formation enthalpy, standard Gibbs free energy, and standard entropy of C₄A₃$ are −8458.41 kJ mol⁻¹, -8338.97 kJ mol⁻¹, and 400.79 kJ mol⁻¹, respectively. The simulation results obtained with FactSage showed good consistency with those obtained experimentally, confirming the main phases (MgO-C₄A₃$-C₂S) can co-exist in the system CaO-SiO₂-Al₂O₃-CaSO₄-MgO at 1100–1300 °C. The results presented here not only provide theoretical support for the key thermodynamic data of C₄A₃$, but may also further the application of high magnesium solid waste in novel SAC-MKPC cement.

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来源期刊

Ceramics International 工程技术-材料科学：硅酸盐

CiteScore

9.40

自引率

15.40%

发文量

4558

审稿时长

25 days

期刊介绍： Ceramics International covers the science of advanced ceramic materials. The journal encourages contributions that demonstrate how an understanding of the basic chemical and physical phenomena may direct materials design and stimulate ideas for new or improved processing techniques, in order to obtain materials with desired structural features and properties. Ceramics International covers oxide and non-oxide ceramics, functional glasses, glass ceramics, amorphous inorganic non-metallic materials (and their combinations with metal and organic materials), in the form of particulates, dense or porous bodies, thin/thick films and laminated, graded and composite structures. Process related topics such as ceramic-ceramic joints or joining ceramics with dissimilar materials, as well as surface finishing and conditioning are also covered. Besides traditional processing techniques, manufacturing routes of interest include innovative procedures benefiting from externally applied stresses, electromagnetic fields and energetic beams, as well as top-down and self-assembly nanotechnology approaches. In addition, the journal welcomes submissions on bio-inspired and bio-enabled materials designs, experimentally validated multi scale modelling and simulation for materials design, and the use of the most advanced chemical and physical characterization techniques of structure, properties and behaviour. Technologically relevant low-dimensional systems are a particular focus of Ceramics International. These include 0, 1 and 2-D nanomaterials (also covering CNTs, graphene and related materials, and diamond-like carbons), their nanocomposites, as well as nano-hybrids and hierarchical multifunctional nanostructures that might integrate molecular, biological and electronic components.