Study of industrial titania synthesis using a hybrid particle-number and detailed particle model

• Main Authors: Boje, Astrid, Akroyd, Jethro, Sutcliffe, Stephen, Kraft, Markus
• Other Authors: School of Chemical and Biomedical Engineering
• Format: Article
• Language: English
• Published: 2021
• Subjects: Engineering::Chemical engineering; Titanium Dioxide; Detailed Particle Model
• Online Access: https://hdl.handle.net/10356/152263
• Institution: Nanyang Technological University

We apply a hybrid particle model to study synthesis of particulate titania under representative industrial conditions. The hybrid particle model employs a particle-number description for small particles, and resolves complicated particle morphology where required using a detailed particle model. This enables resolution of particle property distributions under fast process dynamics. Robustness is demonstrated in a network of reactors used to simulate the industrial process. The detailed particle model resolves properties of the particles that determine end-product quality and post-processing efficiency, including primary particle size and degree of aggregate cohesion. Sensitivity of these properties to process design choices is quantified, showing that higher temperature injections produce more sintered particles; more frequent injections narrow the geometric standard deviation of primary particle diameter; and chlorine dilution reduces particle size and size variance. Structures of a typical industrial particle are compared visually with simulated particles, illustrating similar aggregate features with slightly larger primary particles.