Code
3F008515
Duration
01 October 2015 → 30 September 2019
Funding
Research Foundation - Flanders (FWO)
Promotor
Fellow
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.