Project

Dynamic elementary reaction networks for the kinetics of the catalytic conversion of renewable resources.

Duration
01 October 2015 → 30 September 2019
Funding
Research Foundation - Flanders (FWO)
Research disciplines
  • Natural sciences
    • Analytical chemistry
    • Macromolecular and materials chemistry
  • 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
Keywords
biomass network generation microkinetics catalysis kinetic modeling
 
Project description

A methodology will be developed to automatically construct elementary reaction networks and analyze the kinetics for the catalytic conversion of renewable resources. A priori and a posteriori control mechanisms will guarantee an adequate network size throughout the simulations. The required thermodynamic properties and kinetic parameters will be determined by additivity methods or regression against experimental data.