Integrating Calphad and finite volume method for predicting non-equilibrium solidification of lithium metasilicate

• DOI: 10.1007/s11705-025-2543-4
• Publication Date: 2025-04-15T12:23:38Z
• Authors: Haojie Li; Sanchita Chakrabarty; Vishnuvardhan Nai...; Marco Mancini; Michael Fischlsch...
• Keywords: CALPHAD

Abstract Efficient recycling of lithium metasilicate (Li 2 SiO 3 ) from lithium-containing slag via a pyrometallurgical route demands comprehensive understanding its solidification process in the reactor. A simulation framework is developed to predict heterogeneous phase distribution Li , temperature and velocity fields considering density changes solidifying melt, on apparatus scale. This integrates thermodynamic models calculation diagrams with enthalpy-porosity technique volume fluid method within finite approach, ensuring consistency adherence mass balance. Thus, formation liquid composed O-SiO described space temporal fields. Thereby, interrelationship between field, enthalpy revealed. It shown that lower reactor boundaries prompts earlier vicinity boundaries, which subsequently induces downward flow due higher . The predicted global fraction under non-equilibrium conditions 11.5 wt % than calculated using equilibrium assumption. demonstrates behavior scale consequences solidification.