Projects
Intensifying the production of renewable fuels employing fundamental thermodynamics and elementary kinetics Ghent University
As fossil resources are depleting fast due to the increasing world population and associated energy and chemicals demand, it is of strategic importance to search for renewable alternatives. Lignocellulosic biomass is a promising renewable resource which can be converted into jet and diesel fuels as well as chemicals via routes that include aldol condensation and hydrogenation reactions. At present, at the industrial scale, aldol condensations ...
Intensified production of renewable fuels based on fundamental thermodynamics and elementary kinetics Ghent University
As fossil resources are depleting fast due to the increasing world population and associated energy
and chemicals demand, it is of strategic importance to search for renewable alternatives.
Lignocellulosic biomass is a promising renewable resource which can be converted into jet and
diesel fuels as well as chemicals via routes that include aldol condensation and hydrogenation
reactions. At present, ...
Stochastic Thermodynamics Hasselt University
Development of density-functional-theory based interatomic potentials for ternary Fe-based alloys consistent with thermodynamics for radiation effect studies. Ghent University
Modelling at the atomic scale of ternary iron-based alloys of technological interest, such as FeCrNi, FeCuC, FeNiMn, FeCrW and FeCrMo. A study within density functional theory of the interaction between point defects and soluted atoms, extended to thermodynamical properties. Derivation of interatomic potentials consistent with DFT energetics and phase stability indications, as well as experimental phase diagram data.
Combining thermodynamic modelling and 3D laser printing for Bi2Te3-based quaternary Bi-Sb-Te-Se thermoelectric materials KU Leuven
Bi2Te3-based solid solutions possess the best thermoelectric (TE) performance near room temperature resulting in being extensively used in the commercial TE applications. It has been demonstrated that Bi2Te3-based compounds (binary Bi2Te3 and certain ternary Bi2 -xSbxTe3 and Bi2Te3-ySey) can be deposited and patterned using 3D laser printing process. 3D laser printing permits a materialefficient one-step process that enables the scalable ...
Structural and thermodynamic dissection of fuzzy protein-DNA interactions in a prokaryotic transcription factor Vrije Universiteit Brussel
Development of thermodynamic models to describe stimuli-responsive behavior of soft porous crystals induced by a single trigger or by a combination of multiple correlated stimuli Ghent University
Statistical thermodynamics is a branch of physics that forms the bridge between computer
simulations performed on the atomic scale on one hand, and the properties and behavior of
materials on the macroscopic scale we live in on the other hand. Such a tool is essential in
designing new materials for high-end applications in the area of hydrogen storage, carbon capture
or drug delivery. A particular class of materials ...