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Software Enhanced Research iN Transient kinetics

Objective

The microKinetic Engine (μKE), an existing user-friendly software for steady-state simulation purposes which is ready for commercialization, will find a totally new application area by incorporating the ability to account for important transient occurrences commonly encountered in industry, e.g., startup, shutdown and perturbations of the continuous flow reactor operation. The implementation of a transient solution strategy will also render the software more robust, even for steady-state simulations. It will allow a smoother, more ‘serene’ evolution towards the mathematical solution of the set of equations describing the simulated process/reaction. Regarding reaction kinetics determination, implementing the possibility of transient kinetic data analysis will provide a deeper insight into the underlying reaction mechanism. Catalyst deactivation, as an inevitable transient phenomenon, will be explained and addressed either in a global manner, or even in terms of microkinetics, i.e., elementary reaction steps.

Field of science

  • /natural sciences/computer and information sciences/software
  • /natural sciences/computer and information sciences/data science/data analysis

Call for proposal

ERC-2018-PoC
See other projects for this call

Funding Scheme

ERC-POC - Proof of Concept Grant

Host institution

UNIVERSITEIT GENT
Address
Sint Pietersnieuwstraat 25
9000 Gent
Belgium
Activity type
Higher or Secondary Education Establishments
EU contribution
€ 150 000

Beneficiaries (1)

UNIVERSITEIT GENT
Belgium
EU contribution
€ 150 000
Address
Sint Pietersnieuwstraat 25
9000 Gent
Activity type
Higher or Secondary Education Establishments