CFD Simulation and Optimization of TiO2 Nanoparticles Synthesis by MOCVD Process

The Titanium dioxide nanoparticles’ (TiO2) deposition rate through metalorganic chemical vapor deposition (MOCVD) process was studied by means of computational fluid dynamics(CFD). Titanium tetraisopropoxide (TTIP) was used as a precursor and nitrogen as a carrier gas in this assay. Three-dimensional numerical simulation was utilized to gain a more complete andaccurate understanding of the deposition process. Influences of substrate temperature, precursor concentration and gas flow rate on deposition rate of TiO2 nanoparticles have been investigated. Results reflect that deposition rate was reduced by increasing substrate temperature and gas flow rate. In contrast it would be grown when concentration of TTIP at inlet gas flow rises. Furthermore, response surface methodology (RSM) was employed to assess individual and interactive effects of the three main independent parameters (substrate temperature, inlet gasvelocity and precursor concentration) on deposition rate and usage percent of TTIP. To achieve optimum point, both deposition rate and TTIP usage percent were defined as maximize . The optimum substrate temperature, inlet gas velocity and precursor concentration were found to be 744.0543 K, 0.0318 m/s and 0.0008 mol/m3, respectively.

Keywords:

MOCVD , TiO2 nanoparticles , 3D Simulation , CFD , Response Surface Methodology , Cold-Wall Reactor