Chemical reaction thermodynamic model of Low Pressure CVD for Nano-TiO2 film preparation

摘要

With its unique and perfect performance, Nano-TiO2 film has been widely used in many fields. However, the preparation of Nano-TiO2 film has significant sustainability issues including heavy use of energy and materials, low production efficiency, toxic chemical emissions, etc. In this research, case study is conducted on a Low Pressure Chemical Vapor Deposition (LPCVD) process for nano-TiO2 film preparation. For studying chemical reaction energy consumption of LPCVD process, film preparation techniques, chemical engineering thermodynamics and the law of thermodynamics are used to establish parametric thermodynamic model with such thermodynamic metrics as enthalpy change, entropy change and effective energy change. The heat production rate of chemical reaction has been obtained based on reaction rate function and thermodynamic model. Setting certain chemical reaction condition, the corresponding thermodynamic values of Nano-TiO2 film preparation are calculated. At the same time, the energy utilization and material utilization are obtained. To validate the results, the LPCVD process is simulated with Fluent software. The calculated results are compared with the simulation results and are validated. The research can be the basis theory of processes and equipment energy optimization for Nano-TiO2 film preparation.