多尺度多场耦合的纳米TiO2薄膜制备精确能量模型研究

纳米产品制备是能量密集型产业，目前尚未准确掌握纳米制备过程能量消耗机理和低碳运行方法，不能满足纳米产品批量化生产、低碳制造和可持续发展的战略需求。本项目以低压化学沉积方法（LPCVD）制备纳米TiO2薄膜为研究案例，采用宏观有限容积法和介观总能分布函数DDF-LBE模型多尺度耦合的方法，综合考虑压力场、速度场、浓度场和温度场等多物理场间的耦合关系，研究纳米TiO2薄膜制备精确工艺能量模型建模机理，揭示基于化学反应机理的稀薄运载气体运动和扩散行为，提出便于实际应用的比能耗计算方法。建立多组分运载气体?平衡方程，揭示能量利用和转换过程中的品质变化规律，探索纳米TiO2薄膜制备过程低碳优化运行方法，通过理论与实验相结合的方法对理论模型进行验证和修正，最终形成纳米TiO2薄膜制备的能耗分析和低碳运行的理论和方法体系。研究结果能够为纳米产品低碳制造和生命周期评估提供基础理论和数据支持。

Preparation of nano-products is energy-intensive. While energy consumption mechanism and low-carbon running method of nano-preparation process has not been scientifically explored accurately, this cannot satisfy the strategic requirements of nano low-carbon manufacturing and sustainable development. In this proposal, case study will be conducted on a Low-Pressure Chemical Vapor Deposition (LPCVD) process for nano-TiO2 film preparation. The research will be conducted as follows: First of all, considering the relationship among pressure field, velocity field, concentration field and temperature field, macroscopic finite-volume method and mesoscopic total energy distribution function DDF-LBE model are coupled to construct precise technological energy model of multiscale and multifield. Behavior of rarefied carrier gas movement and diffusion based on chemical reactions mechanism will be studied systematically. Specific energy calculation method will be put forward for the convenient of practical applications.Then exergy balance equation of components carrier gas will be developed, exergy analysis is performed to study energy utilization and the reason of energy irreversible loss will be found out. Energy-saving optimization method of nano-TiO2 film preparation will be explored. Both theoretical and experimental methods will be adopted to validate and revise the theoretical models. Finally, a complete theoretical system will be developed about Nano-TiO2 film preparation for energy consumption analysis and low-carbon running. The research results can provide the theoretical and data supports for the demand of nano-products low-carbon manufacturing and life cycle assessment.