Kinetic modelling of the formation of titanium hydride from the reaction between magnesium hydride and titanium tetrachloride using matlab
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Date
2017-07
Authors
Atif Sadaqi Bin Zainordin
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Abstract
The reaction between Magnesium Hydride (𝑀𝑔𝐻2) and Titanium Tetrachloride (𝑇𝑖𝐶𝑙4) to produce Titanium Hydride (𝑇𝑖𝐻2) were carried out by varying the reaction temperature, reaction time and argon gas flow rate. The experiment was performed by statistical design of experiment (DOE). The chlorination temperature was varied from 200 - 300°C, while the reaction time was changed from 60 - 180 minutes. The argon gas flow rate was controlled from 20 to 60 𝑐𝑐.𝑚𝑖𝑛−1. Samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy dispersive X-ray (EDX), Thermogravimetric analysis (TGA), and Elemental (CHNS). From the experiments, the highest weight different (Xw) of 0.19% and degree of hydriding (Xh) of 38.49% was measured at 300°C for 180 minutes with 20 𝑐𝑐.𝑚𝑖𝑛−1 of argon gas flow rate. The DOE analysis was performed and reaction time was determined as the most significant factor followed by flow rate of argon gas and reaction temperature. Phase analysis indicated the residual samples composed of 𝑀𝑔𝐻2, 𝑀𝑔𝐶𝑙2, 𝑇𝑖𝐶𝑙2.3 and 𝑇𝑖𝐻2. Minor phases such as 𝑇𝑖𝑂2 was observed which indicated some leakage occur during the reaction. From the simulation results, the isothermal and non-isothermal Shrinking Core Model (SCM) were used to study the reaction. From the results, Isothermal shrinking core model shows nearest approximation to the experimental results compared to non-isothermal shrinking core model.