Kinetic simulations of chlorination of titanium carbonitride using matlab
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Date
2016-06
Authors
Law Hon Kin
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Abstract
The chlorination on titanium carbonitride (TiCN) were carried out by varying the chlorination temperature, reaction time and nitrogen gas mixture flow rate. The experiment was performed by statistical design of experiment (DOE). The chlorination temperature was varied from 400 - 500oC, while the reaction time was changed from 30 - 60 minutes. The chlorine and nitrogen mixture flow rate was controlled from 20 to 30 cc.min-1. Samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy dispersive X-ray (EDX), thermogravimetric analysis (TGA), Elemental (CHNS) and particle size analysis. From the chlorination experiments, the highest weight reduction (XR) of 79.52% and extent of chlorination (XTi) of 62.35% was measured at 500oC for 60 minutes with 20 cc.min-1. The DOE analysis was performed and nitrogen flow rate was determined as the most significant factor followed by reaction time and temperature. Phase analysis indicated the residual chlorinated samples composed of TiCN, TiCl4, TiCl2.3 and TiO2. Minor phases such as Ti3O and carbonitride was observed which indicated partially completed chlorination reaction. From the simulation results, the isothermal and non-isothermal Shrinking Core Model (SCM) and Crackling Core Model (CCM) were used to study the reaction. Nonisothermal SCM was found to be the more suitable model to predict the chlorination of TiCN. From the non-isothermal SCM, the predicted extent of chlorination at 500°C was 90% after 60 minutes. The chlorination of TiCN will serve as an excellent model for actual chlorination experiments with nitrided Malaysian ilmenite minerals.