Multiscale modeling of carbon deposition: from carbon nanotube whiskers to free radical coke formation

01 October 2015 → 30 September 2019
Regional and community funding: Special Research Fund
Research disciplines
  • Engineering and technology
    • Automotive engineering
    • Catalysis and reacting systems engineering
    • Chemical product design and formulation
    • General chemical and biochemical engineering
    • Process engineering
    • Separation and membrane technologies
    • Transport phenomena
    • Other (bio)chemical engineering
carbon deposition steam cracking microkinetic modeling computational fluid dynamics
Project description

In this work, for the first time a first principles based coking model will be developed to describe catalytic and non-catalytic carbon growth valid under typical pyrolysis conditions on transition metal surfaces. This model will be incorporated in a computational fluid dynamics (CFD) code to be able to accurately account for three-dimensional flow phenomena and concentration gradients.