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Advancing estimation of kinetic parameters for indium tin oxide synthesis using experimental and mathematical
Henrietta Beata Nagy1, Raluca Anca Mereu1, Elisabeta Cristina Timis1
1Faculty of Chemistry and Chemical Engineering, Department of Chemical Engineering, Computer Aided Process Engineering Research Centre, Babes-Bolyai University, Cluj, 11, Arany Janos Street, Cluj-Napoca, 400028, Romania. elisabeta.timis@ubbcluj.ro.
Abstract:
This study addresses two challenges related to indium tin oxide (ITO) nanoparticle research: the need for reliable process simulation tools and the lack of kinetic models. Two mathematical models describing the formation of an indium tin hydroxide (ITH) complex (ITO precursor), and its thermal decomposition, have been developed and verified against laboratory data. Parameters not readily available in the literature or difficult to estimate (activation energies and pre-exponential factors) were calibrated obtaining values in the expected ranges for the respective process type. Simulation results were aligned with laboratory data, both achieving the targeted 90 : 10 wt% In2O3 : SnO2 ratio during the ITH synthesis and showing consistent behaviour across a wide range of heating rates (2.5, 5, 7.5, 10, 15, and 30 K min-1) during the thermal treatment. These mathematical models offer broad applicability to similar solid-state reactions, providing meaningful kinetic insights from limited experimental data and highlighting their potential for process scale-up and industrial implementation.
