Full title: Realistic Systems: multi-component intra-particle transport + catalytic conversion and coupling of multi-component particle model to MC-DNS-boundary Layer effects in catalytic conversion: MC-DNS study of coupled heat and mass transfer with catalytic surface reaction
For the design and operation of many processes in chemical industry it is important to fully understand the reactions that occur and at what rates. Catalytic reactions often take place at surfaces deep inside porous particles. Therefore it is needed to know how reactants are transported inside these particles and how products move out. The transport of substances to and from the so-called catalytic sites inside the porous particle partly determines the rates at which the reactions occur.
In this project the flow of reactants and products around catalytic particles is modeled as well as the transport inside the particles and the reactions that occur there. Using a massive computational model we aim at predicting the performance of a catalytic process by computer simulation. These simulations will give insight in the interplay of transport and reactivity. Using the detailed information the model provides real chemical processes can be improved and in that way technological development is accelerated.
Project leader: Prof. Hans Kuipers