Combustion synthesis of metal carbides: Part II. Numerical simulation and comparison with experimental data

LOCCI, ANTONIO MARIO;CINCOTTI, ALBERTO;DELOGU, FRANCESCO;ORRU', ROBERTO;CAO, GIACOMO

2005-01-01

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Abstract

Based on the general theoretical model proposed in Part I of this work [J. Mater. Res. 20, 1257 (2005)], a series of numerical simulations related to the self-propagating high-temperature synthesis in the Ti-C system is presented. A detailed and quantitative description of the various physical and chemical processes that take place during combustion synthesis processes is provided in Part II of this work. In particular, the proposed mathematical description of the system has been discussed by highlighting the relation between system macroscopic behavior obtained experimentally with the modeled phenomena taking place at the microscopic scale. Model reliability is tested by comparison with suitable experimental data being nucleation parameters adopted for the fitting procedure. The complex picture emerging as a result of the model sophistication indicates that the rate of conversion is essentially determined by the rate of nucleation and growth. In addition, comparison between model results and experimental data seems to confirm the occurrence of heterogeneous nucleation in product crystallization.