Project

Modeling of diffusion and reaction kinetics in nanoporous materials.

Duration
01 October 2010 → 30 September 2016
Funding
Regional and community funding: Special Research Fund, Research Foundation - Flanders (FWO)
Research disciplines
  • Natural sciences
    • Atomic and molecular physics
    • Physical chemistry
    • Theoretical and computational chemistry
    • Other chemical sciences
  • Engineering and technology
    • Ceramic and glass materials
    • Materials science and engineering
    • Semiconductor materials
    • Other materials engineering
Keywords
molecular modeling diffusion reaction kinetics adsorption porous materials
 
Project description

My project is situated in the field of porous materials. These condensed state materials require a multi-scale approach, because processes occur on a range of time and length scales: from quantum pgysics/chemistry at the atomistic scale up to diffusion at the nanoscale. This project will study the materials with computer experiments, in order to use the new chemical/physical insights about diffusion, adsorption and kinetics for the engineering and design of new materials.