• CES-219-115615-

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

Authors: Astrid Boje, Jethro Akroyd, Stephen Sutcliffe, and Markus Kraft*

Reference: Chemical Engineering Science 219, 115615, (2020)

  • Hybrid particle model combined with overlapping spheres detailed particle model
  • Robust and efficient hybrid approach used to study industrially relevant conditions
  • Energy balance included to allow flexible reactor modelling framework
  • Particle structure resolved by primary coordinate tracking compared with real product

Graphical abstract 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.

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*Corresponding author:
Telephone: +44 (0)1223 762784 (Dept) 769010 (CHU)
Address: Department of Chemical Engineering and Biotechnology
University of Cambridge
West Cambridge Site
Philippa Fawcett Drive
Cambridge CB3 0AS
United Kingdom
Website: Personal Homepage