arXiv subjects

Christoph Wilms

Publications and source records attributed to Christoph Wilms.

3 recordsLinked to original sources

arXiv2026

Effect of Reynolds number on triboelectric particle charging in turbulent channel flow

Triboelectric charging in particle-laden flows is a complex interplay of fluid and particle dynamics, collision mechanics, and electrostatics. In this study, we introduce triboFoam, an open-source solver built on the OpenFOAM framework, designed to simulate triboelectric charging in particle-laden turbulent flows. We validate triboFoam using Direct Numerical Simulations (DNS) of a fully developed turbulent channel flow at a friction Reynolds number of $Re_\tau = 180$. The results demonstrate good agreement with DNS data for particle concentration profiles and charge distributions. Then, we investigate the influence of Reynolds number on particle distribution and charging behaviour using Large-Eddy Simulations (LES) at varying friction Reynolds numbers up to $Re_\tau = 550$. Our findings reveal that higher Reynolds numbers lead to increased near-wall particle concentrations and enhanced charging rates, attributed to intensified turbulent fluctuations and elevated impact velocities. Finally, an empirical correlation is proposed to predict the average particle charging rate as a function of Reynolds number and particle diameter. With this work, we provide a tool for simulating triboelectric charging in complex geometries and turbulent flows, advancing the understanding of electrostatic phenomena in particle-laden systems. The empirical correlation offers practical insights for predicting charging behaviour in industrial applications and thus can contribute to improved safety and efficiency in processes involving particulate matter.

physics.flu-dyn↗

arXiv2026

ML enhanced measurement of the electrostatic charge distribution of powder conveyed through a duct

The electrostatic charge acquired by powders during transport through ducts can cause devastating dust explosions. Our recently developed laser-optical measurement technique can resolve the powder charge along a one-dimensional (1D) path. However, the charge across the duct's complete two-dimensional (2D) cross-section, which is the critical parameter for process safety, is generally unavailable due to limited optical access. To estimate the complete powder charge distribution in a conveying duct, we propose a machine learning (ML) approach using a shallow neural network (SNN). The ML algorithm is trained with cross-sectional data extracted from four different three-dimensional direct numerical simulations of a turbulent duct flow with varying particle size. Through this training with simulation data, the ML algorithm can estimate the powder charge distribution in the duct's cross-section based on only 1D measurements. The results reveal an average $L^1$-error of the reconstructed 2D cross-section of 1.63 %.

physics.flu-dyn↗

arXiv2017

Locating large flexible ligands on proteins

Many biologically important ligands of proteins are large, flexible, and often charged molecules that bind to extended regions on the protein surface. It is infeasible or expensive to locate such ligands on proteins with standard methods such as docking or molecular dynamics (MD) simulation. The alternative approach proposed here is the scanning of a spatial and angular grid around the protein with smaller fragments of the large ligand. Energy values for complete grids can be computed efficiently with a well-known Fast Fourier Transform accelerated algorithm and a physically meaningful interaction model. We show that the approach can readily incorporate flexibility of protein and ligand. The energy grids (EGs) resulting from the ligand fragment scans can be transformed into probability distributions, and then directly compared to probability distributions estimated from MD simulations and experimental structural data. We test the approach on a diverse set of complexes between proteins and large, flexible ligands, including a complex of Sonic Hedgehog protein and heparin, three heparin sulfate substrates or non-substrates of an epimerase, a multi-branched supramolecular ligand that stabilizes a protein-peptide complex, and a flexible zwitterionic ligand that binds to a surface basin of a Kringle domain. In all cases the EG approach gives results that are in good agreement with experimental data or MD simulations.

q-bio.BM↗