基于改进的CE/SE格式数值分析气相爆轰合成纳米TiO2颗粒的研究

Numerical Simulation of Gas-Detonation Systhesis of TiO2 Nanoparticles Based On Improved CE/SE Scheme

  • 摘要: 将改进的时空守恒元算法(CE/SE)与一种二步反应模型相结合实现耦合并行计算,实现多元气相爆轰化学反应二维数值模拟. 数值分析结果初步表明,稳定的爆轰流场中气体的密度达到6.4 kg/m3,爆轰波速约1 580 m/s,压力和温度场约为7 MPa和2 560 K,最终获得纳米颗粒大致分布在28~35 nm之间,与实验结果吻合较好. 应用该方法可以成功地模拟气相爆轰过程的爆轰反应特性,而且能够更够准确地模拟爆轰流场纳米颗粒的生长特征.

     

    Abstract: An improved space-time conservation element and solution element (CE/SE) scheme with a chemical reaction models-two-step reaction model were constructed by proposing a new structure of solution elements and conservation elements based on the rectangular mesh. Numerical simulation results describe that the physical and chemical characteristics of the multi-gas phase flows such as the density of gas, velocity of wave, temperature and pressure are 6.4 kg/m3,1 580 m/s, 7 MPa and 2 560 K, respectively. The results show that the improved CE/SE scheme and the two step reaction model is easy to be implemented and high accurate for nanoparticle growth during the gas-phase detonation reaction process.

     

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