穿孔网络建模的粒子内部运输现象伴随着化学反应
A Fathiganjehlou1, E A J F Peters1, K A Buist1
1Multiphase Reactors Group, Department of Chemical Engineering and Chemistry, Eindhoven University of Technology, Postbus, 5600 MB Eindhoven, The Netherlands.
概括
一个新的3D毛孔网络模型 (PNM) 模拟了球形催化剂中的反应扩散. 这种先进的模型考虑了热传递和现实的边界条件,改进了催化剂性能分析.
科学领域:
- 化学工程是化学工程的重要组成部分.
- 计算建模 计算建模
- 催化科学 催化科学
背景情况:
- 反应-扩散现象在多孔催化剂中至关重要.
- 对催化剂颗粒的准确建模对于过程优化至关重要.
- 现有的模型往往简化了粒子几何和边界条件.
研究的目的:
- 引入一种新的3D孔网模型 (PNM),用于模拟球形催化剂颗粒中的反应扩散.
- 为了将合热传递纳入粒子尺度PNM.
- 为了使现实的,不统一的边界条件的应用.
主要方法:
- 通过包装微球来表示多孔性和扭曲性,生成了一个3D粒子几何.
- 从生成的几何结构中提取了一个孔网表示.
- 为扩散反应和热传导构建了一个PNM.
主要成果:
- 开发的PNM成功地模拟了带有和没有传热的反应扩散.
- 该模型可以处理现实的3D非均表面边界条件.
- 分析了内部度概况和反应有效性.
结论:
- 粒子尺度PNM提供了更现实的催化过程模拟.
- 这种方法增强了对复杂条件下的催化剂行为的理解.
- 该模型对于优化催化剂设计和打包式反应堆性能非常有价值.
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