Publicaties
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Adsorption of CO2 and N-2 in Na-ZSM-5: effects of Na+ and Al content studied by Grand Canonical Monte Carlo simulations and experiments Vrije Universiteit Brussel
Zeolite crystals with cations present, such as ZSM-5, are widely used for gas sequestration, separations, and catalysis. One possible application is as an adsorbent to separate CO2 from N-2 in flue gas mixtures. Typically, the zeolite framework is of a SiO2 composition, but tetravalent Si atoms can be replaced with trivalent Al atoms. This change in valence creates a charge deficit, requiring cations to maintain the charge balance. Experimental ...
Combining Monte Carlo simulations and experimental design for incorporating risk and uncertainty in investment decisions for cleantech: a fast pyrolysis case study Universiteit Hasselt Universiteit Antwerpen Vrije Universiteit Brussel
The value of phytoextracting crops (plants cultivated for soil remediation) depends on the proftability of the sequential investment in a conversion technology aimed at the economic valorization of the plants. However, the net present value (NPV) of an investment in such an innovative technology is risky due to technical and economic uncertainties. Therefore, decision makers want to dispose of information about the probability of a positive NPV, ...
Grand canonical Monte Carlo simulations to determine the optimal interlayer distance of a graphene slit-shaped pore for adsorption of methane, hydrogen and their equimolar mixture Universiteit Gent
The adsorption—for separation, storage and transportation—of methane, hydrogen and their mixture is important for a sustainable energy consumption in present-day society. Graphene derivatives have proven to be very promising for such an application, yet for a good design a better understanding of the optimal pore size is needed. In this work, grand canonical Monte Carlo simulations, employing Improved Lennard–Jones potentials, are performed to ...
The electronically excited states of LH2 complexes from Rhodopseudomonas acidophila strain 10050 studied by time-resolved spectroscopy and dynamic Monte Carlo simulations. I. Isolated, non-interacting LH2 complexes Vrije Universiteit Brussel
We have employed time-resolved spectroscopy on the picosecond time scale in combination with dynamic Monte Carlo simulations to investigate the photophysical properties of light-harvesting 2 (LH2) complexes from the purple photosynthetic bacterium Rhodopseudomonas acidophila. The variations of the fluorescence transients were studied as a function of the excitation fluence, the repetition rate of the excitation and the sample preparation ...
The electronically excited states of LH2 complexes from Rhodopseudomonas acidophila strain 10050 studied by time-resolved spectroscopy and dynamic Monte Carlo simulations. II. Homo-arrays of LH2 complexes reconstituted into phospholipid model membranes Vrije Universiteit Brussel
We performed time-resolved spectroscopy on homoarrays of LH2 complexes from the photosynthetic purple bacterium Rhodopseudomonas acidophila. Variations of the fluorescence transients were monitored as a function of the excitation fluence and the repetition rate of the excitation. These parameters are directly related to the excitation density within the array and to the number of LH2 complexes that still carry a triplet state prior to the ...
Advanced Monte Carlo simulations of emission tomography imaging systems with GATE Universiteit Gent
Built on top of the Geant4 toolkit, GATE is collaboratively developed for more than 15 years to design Monte Carlo simulations of nuclear-based imaging systems. It is, in particular, used by researchers and industrials to design, optimize, understand and create innovative emission tomography systems. In this paper, we reviewed the recent developments that have been proposed to simulate modern detectors and provide a comprehensive report on ...
Accuracy of patient-specific CT organ doses from Monte Carlo simulations : influence of CT-based voxel models Universiteit Gent
Monte Carlo simulations using patient CT images as input are the gold standard to perform patient-specific dosimetry. However, in standard clinical practice patient’s CT images are limited to the reconstructed CT scan range. In this study, organ dose calculations were performed with ImpactMC for chest and cardiac CT using whole-body and anatomy-specific voxel models to estimate the accuracy of CT organ doses based on the latter model. When the ...
Monte Carlo simulations in nuclear medicine imaging Universiteit Gent
Using hierarchical octrees in Monte Carlo radiative transfer simulations (Research Note) Universiteit Gent
A crucial aspect of 3D Monte Carlo radiative transfer is the choice of the spatial grid used to partition the dusty medium. We critically investigate the use of octree grids in Monte Carlo dust radiative transfer, with two different octree construction algorithms (regular and barycentric subdivision) and three different octree traversal algorithms (top-down, neighbour list, and the bookkeeping method). In general, regular octree grids need ...