Project

First principle chemical kinetics in nanoporous materials

Acronym
KINPOR
Duration
01 January 2010 → 31 December 2014
Funding
European funding: framework programme
Research disciplines
  • Natural sciences
    • Classical physics
    • Elementary particle and high energy physics
    • Other physical sciences
Keywords
nanoporous materials
 
Project description

The aim of this proposal is the accurate prediction of chemical kinetics of catalytic reactions taking place in nanoporous materials from first principles. Two types of industrially important nanoporous materials are considered: zeotype materials including the standard alumino-silicates but also related alumino-phosphates and the fairly new Metal Organic Frameworks(MOFs). This class of materials in which organic and inorganic moieties are linked, have astonished the zeolite community by their giant pores and huge surface area.