NICE group hosts visiting research student Annelien Schijve

IMG Schijve-AnnelienIn September 2012 Annelien Schijve started with the Bachelor Chemical Engineering at Eindhoven University of Technology and in 2015 she spent several months at CNIE, UCL to conduct research for her Bachelor thesis. 


Here Annelien has coupled CFD-DEM (Computational Fluid Dynamics - Discrete Element Method) simulations to validate drag force closures on their ability to reproduce regular bubble patterns, as were found in experimental studies, in gas-solid fluidized beds.


Fluidized bed reactors are used intensively for many industrial applications because of their unique properties. Because of its intense mixing of fluid and particles, fluidized bed reactors are able to achieve excellent heat and mass transfer properties.


The most crucial component of the hydrodynamic multiphase flow behavior in a fluidized bed reactor is the complex gas-solid interaction. The drag force is almost always the dominant component of the gas-solid interactions. However, in terms of modelling it is still highly empirical. Due to the lack of full understanding of these interactions, the design and scale-up of fluidized bed reactors remains a challenge. The validation of drag force closures is of great importance for the development and improvement of fluidized bed models, since it can contribute in gaining a more reliable prediction of the flow behavior.

We are pleased to announce that Dr Katarzyna Maksimiak has received 10 millions of allocation units on ARCHER UK National Supercomputing Service with support of the HEC Materials Chemistry Consortium ( which is funded by EPSRC (EP/L000202)) to study the mechanism between entrapped biomolecules and bio-inspired materials. 

She will use ARCHER supercomputer for 6 months to study behavior of biomolecules confined in ordered amorphous silica through all-atom molecular dynamic simulations with explicit water and counter-ions.The simulations will provide a better understanding of the interplay between the adsorbed proteins and mesoporous materials which is necessary to improve drug delivery systems by improving stability and controlled release of the active drug at the site of interest.