Microkinetic modelling.

  • Stoltze, Per, (Project Participant)
  • Lynggaard, Hasse Harloff, (Project Participant)
  • Stegelmann, Carsten, (Project Participant)

Project Details

Description

In microkinetic models, the rate of industrial reactions are modelled from a reaction meahanism and the measured or calculated properties of reactants, intermediates and products at the molecular level. The highly non-linear dependence of the reaction rate on temperature and concentrations, severly limits the precision of e.g activation energies determined from measured reaction rates.     In the project we are presently focusing on the pitfalls and limitations in the deduction of data from kinetic measurements. This is accomplished by formulation of models of reaction mechanisms at the molecular level, use of these models in the simulation of experiments and then investigating to what extent the microscopic parameters may be reconstructed from the simulated datasets.   Researchers: Per Stoltze, Aalborg University, Esbjerg, Anders Andreasen, Materials Research Department, Risø,                       Hasse Lynggaard, Aalborg University, Esbjerg,                       Carsten Stegelmann, Aalborg University, Esbjerg,                        
StatusFinished
Effective start/end date01/04/200331/07/2007