Publications
Optimization of thermal waste processing: CFD study on aspects of flow, heat and mass transfer, chemical kinetics and thermodynamics KU Leuven
The general aim of this dissertation is to study the flow, heat and mass transfer, kinetics, and thermodynamics of thermal waste processing using a numerical approach. More specifically, this thesis seeks to provide tools that assist engineers of Waste to energy (WtE) plants in determining optimal operation in terms of burnout and energy recovery with a minimum risk of corrosion. To this end, two specific objectives are defined. The primary ...
Demystifying the thermodynamics of furfural derivatives aiming at improved separation process design Ghent University
Thermodynamics and efficiency of sequentially collisional Brownian particles: The role of drivings Hasselt University
Brownian particles placed sequentially in contact with distinct thermal reservoirs and subjected to external driving forces are promising candidates for the construction of reliable engine setups. In this contribution, we address the role of driving forces for enhancing the collisional machine performance. Analytical expressions for thermodynamic quantities such as power output and efficiency are obtained for general driving schemes. A proper ...
The impact of bead milling on the thermodynamics and kinetics of the structural phase transition of VO2 particulate materials and their potential for use in thermochromic glazing Hasselt University
The thermodynamics and kinetics of the structural phase transition from monoclinic VO2 (M) to rutile VO2 (R) and vice versa were studied for particulate materials obtained by bead milling of VO2 (M) powder. Using wet bead milling, we decreased the particle size of VO2 (M) powder from similar to 1 mu m to 129 nm. With progressive milling, the switching enthalpy decreased from 47 J g(-1) to 29 J g(-1) due to a loss of crystallinity. The switching ...
Entropic and enthalpic factors determining the thermodynamics and kinetics of carbon segregation from transition metal nanoparticles University of Antwerp
The free energy surface (FES) for carbon segregation from nickel nanoparticles is obtained from advanced molecular dynamics simulations. A suitable reaction coordinate is developed that can distinguish dissolved carbon atoms from segregated dimers, chains and junctions on the nanoparticle surface. Because of the typically long segregation time scale (up to μs), metadynamics simulations along the developed reaction coordinate are used to ...
Modelling of oxidative ageing in bitumen using Thermodynamics of Irreversible Processes (TIP) University of Antwerp
Diffusion-reaction models derived within the frame of thermodynamics of irreversible processes (TIP) for mixtures enjoy a number of advantages over purely phenomenological models. Potential and challenges of the TIP approach are discussed exemplary by means of a particular model focusing on spurt oxidation in bitumen. More specifically, film ageing experiments are simulated considering different bitumen compositions in terms of SARA fractions. ...
Path-integral approach to the thermodynamics of bosons with memory University of Antwerp
For a system of bosons that interact through a class of general memory kernels, a recurrence relation for the partition function is derived within the path-integral formalism. This approach provides a generalization to previously known treatments in the literature of harmonically coupled systems of identical particles. As an example the result is applied to the specific heat of a simplified model of an open quantum system of bosons, harmonically ...