Development of Automatic Reaction Network Generation Technology: Implementation of 3D Structure & Reactivity

01 October 2010 → 30 September 2014
Regional and community funding: Special Research Fund, Research Foundation - Flanders (FWO)
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
kinetic modelling automatic reaction network generation radical chemistry 3D structure and reactivity pyrolysis
Project description

Automatic reaction network generation technology is developed with the emphasis of the relationship between 3D structure and reactivity. Kinetic modeling of selected systems of interest will be validated with experimental results.