Thermodynamic Insight into the Equilibrium Component Prediction in the Al-Ti-Ca-Oxide System

The prediction of equilibrium components for chemical reactions is a considerable section in the metallurgical industry. According to the ion and molecule coexistence theory (IMCT), a modified mass action concentration model based on a thermodynamic database is proposed in this paper, which complys with the law of mass conservation and can be applied in the batching process for Al-Ti-Ca-oxide system that originates from SHS (Self-propagating High-temperature Synthesis) metallurgy. The trend for slag and alloy component under different batching conditions are in good agreement with experiment, while the difference between the theoretical calculation and experiment can be attributed to the deviation from the thermodynamic equilibrium. The modified mass action concentration model with melts and slag can be used to predict the composition and content of the system when equilibrium is achieved at a certain temperature under a specific material ratio, which is conducive to reducing the cost of the experiment and predicting the operability of the actual process. Moreover, it is believed that this thermodynamic insight may has certain application prospects in these metallurgical procedure based on the equilibrium process.

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This research was financially supported by the Doctoral Scientific Research Founds of Liaocheng University (Grant No. 318052124), National Natural Science Foundation of China (Grant No. U1908225) and the Second Batch of Industry University Cooperation and Collaborative Education Projects of the Ministry of Education (Grant No. 202102251007)