En cliquant sur le bouton ci-dessous, vous pouvez consulter la liste des dernières publications scientifiques du laboratoire dans la "Collection HAL du M2P2" qui permet de faire des recherches par année, auteur, type de document (article scientifique, ouvrage, chapitre d'ouvrage, actes de conférence...), etc.
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Zohra Laggoune, Yasmine Masmoudi, Seyed Ali Sajadian, Elisabeth Badens. Sirolimus solubility in supercritical carbon dioxide: Measurement and modeling.. Journal of CO2 Utilization, 2025, 93, pp.103034. ⟨10.1016/j.jcou.2025.103034⟩. ⟨hal-04954883⟩ Plus de détails...
The solubility of drugs in supercritical carbon dioxide is a key parameter in their processing. This study focuses on sirolimus, an immunosuppressive drug used in organ transplantation. Its solubility in supercritical carbon dioxide was measured using a static gravimetric method. Measurements were carried out at pressures ranging from 12.5 MPa to 25.0 MPa and temperatures from 313 K to 328 K. The findings revealed a molar fraction range of sirolimus between 1.20 × 10 6 and 2.73 × 10 6 and a direct solubility behavior in the investigated domain. The experimental data were correlated using several models. These included semi-empirical density-based models (Chrastil, Mendez-Santiago and Teja, Bartle et al., Kumar and Johnston, Sparks et al., and Sodeifian et al.), as well as equation of state-based models (Soave-Redlich-Kwong and Peng-Robinson). The results indicated that Sparks et al. and Soave-Redlich-Kwong showed the lowest average absolute relative deviation (AARD%) and the corrected correlation coefficient (Radj) of 4.12 %, 0.978 and 05.18 %, 0.980 respectively.
Zohra Laggoune, Yasmine Masmoudi, Seyed Ali Sajadian, Elisabeth Badens. Sirolimus solubility in supercritical carbon dioxide: Measurement and modeling.. Journal of CO2 Utilization, 2025, 93, pp.103034. ⟨10.1016/j.jcou.2025.103034⟩. ⟨hal-04954883⟩
Hippolyte Lerogeron, Pierre Boivin, Vincent Faucher, Julien Favier. A Numerical Framework for Fast Transient Compressible Flows Using Lattice Boltzmann and Immersed Boundary Methods. International Journal for Numerical Methods in Engineering, 2025, 126 (3), ⟨10.1002/nme.7647⟩. ⟨hal-04958000⟩ Plus de détails...
This article is dedicated to the development of a model to simulate fast transient compressible flows on solid structures using immersed boundary method (IBM) and a lattice Boltzmann solver. Ultimately, the proposed model aims at providing an efficient algorithm to simulate strongly‐coupled fluid‐structure interactions (FSI). Within this goal, it is necessary to propose a precise and robust numerical framework and validate it on stationary solid cases first, which is the scope of the present study. Classical FSI methods, such as body‐fitted approaches, are facing challenges with moving or complex geometries in realistic conditions, requiring computationally expensive re‐meshing operations. IBM offers an alternative by treating the solid structure geometry independently from the fluid mesh. This study focuses on the extension of the IBM to compressible flows, and a particular attention is given to the enforcement of various thermal boundary conditions. A hybrid approach, combining diffuse forcing for Dirichlet‐type boundary conditions and ghost‐nodes forcing for Neumann‐type boundary conditions is introduced. Finally, a simplified model, relying only on diffuse IBM forcing, is investigated to treat specific cases where the fluid solid interface is considered as adiabatic. The accuracy of the method is validated through various test cases of increasing complexity.
Hippolyte Lerogeron, Pierre Boivin, Vincent Faucher, Julien Favier. A Numerical Framework for Fast Transient Compressible Flows Using Lattice Boltzmann and Immersed Boundary Methods. International Journal for Numerical Methods in Engineering, 2025, 126 (3), ⟨10.1002/nme.7647⟩. ⟨hal-04958000⟩
Journal: International Journal for Numerical Methods in Engineering
Ksenia Kozhanova, Song Zhao, Raphaël Loubère, Pierre Boivin. A hybrid a posteriori MOOD limited lattice Boltzmann method to solve compressible fluid flows – LBMOOD. Journal of Computational Physics, 2025, 521, Part 2, pp.113570. ⟨10.1016/j.jcp.2024.113570⟩. ⟨hal-04802259⟩ Plus de détails...
In this paper we blend two lattice-Boltzmann (LB) numerical schemes with an a posteriori Multi-dimensional Optimal Order Detection (MOOD) paradigm to solve hyperbolic systems of conservation laws in 1D and 2D. The first LB scheme is robust to the presence of shock waves but lacks accuracy on smooth flows. The second one has a second-order of accuracy but develops non-physical oscillations when solving steep gradients. The MOOD paradigm produces a hybrid LB scheme via smooth and positivity detectors allowing to gather the best properties of the two LB methods within one scheme. Indeed, the resulting scheme presents second order of accuracy on smooth solutions, essentially non-oscillatory behaviour on irregular ones, and, an ‘almost fail-safe’ property concerning positivity issues. The numerical results on a set of sanity test cases and demanding ones are presented assessing the appropriate behaviour of the hybrid LBMOOD scheme in 1D and 2D.
Ksenia Kozhanova, Song Zhao, Raphaël Loubère, Pierre Boivin. A hybrid a posteriori MOOD limited lattice Boltzmann method to solve compressible fluid flows – LBMOOD. Journal of Computational Physics, 2025, 521, Part 2, pp.113570. ⟨10.1016/j.jcp.2024.113570⟩. ⟨hal-04802259⟩
Antoine Monot, Christophe Friess, Jeroen Wackers. Grey Area Mitigation for Detached-Eddy Simulations Using Volume Forcing. International Journal of Computational Fluid Dynamics, 2025, Adaptation for Scale-Resolved Turbulence, 38 (2-3), pp.246-264. ⟨10.1080/10618562.2024.2376851⟩. ⟨hal-04923705⟩ Plus de détails...
Hybrid RANS/LES (HRL) models use LES in complex regions and RANS otherwise. However, HRL models have issues when dealing with the transition between RANS and LES areas. The goal of this paper is to propose a solution to the lack of a mechanism in the DES model for transferring the modelled turbulent kinetic energy (TKE) to the resolved scales. The presented approach uses a volume forcing which amplifies existing velocity fluctuations. It aims at compensating for the modelled TKE dissipated by reinjecting it as resolved kinetic energy, so that the total TKE is unaffected. This solution's effectiveness is evaluated on a turbulent boundary layer over a flat plate, a case where DES is highly sensitive to mesh refinement. Different meshes and time steps are tested to assess the impact of the method on the flow. This approach shows a clear improvement on the turbulent quantities compared to the DES model.
Antoine Monot, Christophe Friess, Jeroen Wackers. Grey Area Mitigation for Detached-Eddy Simulations Using Volume Forcing. International Journal of Computational Fluid Dynamics, 2025, Adaptation for Scale-Resolved Turbulence, 38 (2-3), pp.246-264. ⟨10.1080/10618562.2024.2376851⟩. ⟨hal-04923705⟩
Journal: International Journal of Computational Fluid Dynamics
J. Garcia Sarmiento, Florian Fichot, Vincent Topin, P. Sagaut. Numerical simulation of corium flow through rod bundle and/or debris bed geometries with a model based on Lattice Boltzmann method. Nuclear Engineering and Design, 2024, 429, pp.113603. ⟨10.1016/j.nucengdes.2024.113603⟩. ⟨hal-04874958⟩ Plus de détails...
A new model is proposed to investigate the relocation and the distribution of hot corium flows in different configurations (rod bundle, porous debris bed) representative of a severe accident in a Light Water Reactor (LWR). Our model relies on the coupling between a modified Lattice Boltzmann Method (LBM), called Free-Surface LBM, that solves hydrodynamics of unsaturated corium and a Finite Volume Method (FVM) that solves heat transfers. Corium solidification and melting are addressed by implementing a correlation between the temperature and the viscosity. Several simulations on representative elementary volumes were performed, varying configurations (debris bed, rod bundle with and without grid). From the results, it is possible to capture important details of the flow at a scale lower than the pore scale and, at the same time, it is possible to take into account the average effects at the scale of several pores. Presented as a proof of concept these preliminary studies show the interest of this kind of CFD approach to identify which parameters at microstructure scale can potentially govern the corium relocation kinetics at macroscopic scale. It will provide useful information that might improve core degradation models in severe accident codes, such as ASTEC.
J. Garcia Sarmiento, Florian Fichot, Vincent Topin, P. Sagaut. Numerical simulation of corium flow through rod bundle and/or debris bed geometries with a model based on Lattice Boltzmann method. Nuclear Engineering and Design, 2024, 429, pp.113603. ⟨10.1016/j.nucengdes.2024.113603⟩. ⟨hal-04874958⟩
Hugo Taligrot, Sébastien Wurtzer, Mathias Monnot, Jacques Geslin, Laurent Moulin, et al.. Effect of volumetric concentration factor on virus removal for low-pressure reverse osmosis membrane in drinking water production: a study on different scales. Water Research, 2024, 267, pp.122536. ⟨10.1016/j.watres.2024.122536⟩. ⟨hal-04946791⟩ Plus de détails...
Reverse osmosis membranes are intended to constitute a complete physical barrier against nanometricsized pathogens such as enteric viruses. Literature describes low-pressure reverse osmosis achieves high viral removal rates (above 5 log), surpassing those of ultrafiltration (1 to 3 log). However, these studies often used individual viruses and high feed viral concentrations (above 10 9 virus L -1 ), greater than typical viral concentrations present in the environment like groundwater, to promote virus detection in the permeate. These high concentrations can promote viral aggregation, potentially affecting the observed retention. This work evaluates the simultaneous elimination of three viruses during the production of drinking water by low-pressure reverse osmosis: two enteric viruses (adenovirus 41 and coxsackievirus-B5) and bacteriophage MS2, a widely used virus surrogate in the literature. The permeates produced by low-pressure reverse osmosis were concentrated to allow virus detection in permeate at lower feed concentrations (10 6 virus L -1 ) while staying above the limits of detection and quantification. Experiments were carried out on two pilot plants of different scales (laboratory and semi-industrial) to assess the potential effect of the number of membranes and O-rings on virus retention. The effect of the volume concentration factor on low-pressure reverse osmosis efficiency was evaluated for each scale. Results indicate an average viral reduction of 6 log (up to 7 log), regardless of the size of the virus or the scale of LPRO pilot. For the semi-industrial scale, better retention was observed as the volume concentration factor increased. However, viruses were still present in the permeate for each scale (even if close to the detection limit), indicating that retention was not complete. At the same feed viral concentrations, the number of viruses recovered in the semi-industrial scale permeates was higher than in the laboratory scale. A 24-fold greater the number of membranes and O-rings used for the semi-industrial scale showed that micro-leaks through O-rings could be responsible for the passage of viruses into the permeate.
Hugo Taligrot, Sébastien Wurtzer, Mathias Monnot, Jacques Geslin, Laurent Moulin, et al.. Effect of volumetric concentration factor on virus removal for low-pressure reverse osmosis membrane in drinking water production: a study on different scales. Water Research, 2024, 267, pp.122536. ⟨10.1016/j.watres.2024.122536⟩. ⟨hal-04946791⟩
Raffael Düll, Guido Ciraolo, Hugo Bufferand, Eric Serre, Virginia Quadri, et al.. Implementation of a non-axisymmetric magnetic configuration in SOLEDGE3X to simulate 3D toroidal magnetic ripple effects: Application to WEST. Nuclear Materials and Energy, 2024, 41, pp.101807. ⟨10.1016/j.nme.2024.101807⟩. ⟨hal-04948108⟩ Plus de détails...
The fluid-drift code SOLEDGE3X, developed by CEA/IRFM in collaboration with Aix-Marseille University, is a powerful tool for simulating transport and turbulence in tokamak edge plasmas with axisymmetric magnetic configurations. In tokamaks such as WEST, the pronounced toroidal magnetic ripple significantly affects plasma confinement and power exhaust, modulating both the poloidal and toroidal components of the equilibrium field. Using a discrete Biot-Savart law, the ripple field is calculated as a magnetic perturbation on the SOLEDGE3X mesh. The transport model and parallel gradient solvers have been enhanced to incorporate the new radial magnetic field component. Preliminary simulations of a WEST scenario reveal a heat deposition pattern in the divertor region consistent with observations from infrared camera experiments.
Raffael Düll, Guido Ciraolo, Hugo Bufferand, Eric Serre, Virginia Quadri, et al.. Implementation of a non-axisymmetric magnetic configuration in SOLEDGE3X to simulate 3D toroidal magnetic ripple effects: Application to WEST. Nuclear Materials and Energy, 2024, 41, pp.101807. ⟨10.1016/j.nme.2024.101807⟩. ⟨hal-04948108⟩
N. Fedorczak, C. Arnas, L. Cappelli, L. Colas, Y. Corre, et al.. Survey of tungsten gross erosion from main plasma facing components in WEST during a L-mode high fluence campaign. Nuclear Materials and Energy, 2024, 41 (4), pp.101758. ⟨10.1016/j.nme.2024.101758⟩. ⟨cea-04816563⟩ Plus de détails...
An initial high fluence campaign was performed in WEST, in 2023, on the newly installed actively cooled tungsten divertor composed of ITER-grade monoblocks. The campaign consisted in the repetition of a 60 s long Deuterium L-mode pulse in attached divertor conditions, cumulating over 10000s of plasma exposure. A maximum deuterium fluence of approximately 5 ⋅ 10 26 m -2 was reached in the outer strike point region, representative of a few high performance ITER pulses. Gross tungsten erosion inferred from visible spectroscopy shows that the most eroded plasma facing component is the inner divertor target with rates ten times larger than on the outer divertor target. The outer midplane tungsten bumpers, located a few centimeters from the plasma, show gross erosion rates two times lower than at the outer divertor. We conclude that the outer midplane bumpers have a negligible contribution to the long range tungsten migration and deposition onto the lower divertor. The cumulated gross erosion rate on the inner divertor translates in an effective gross erosion thickness of about 20 μm, while it is about 2 μm for the outer divertor. Strikingly, these orderings coincide with the thickness of deposits found locally on the divertor: the exposed surfaces of high field side monoblocks are covered with several tens of μm tungsten deposits, while on the lower field side, few μm thin tungsten deposits are only found on the magnetically shadowed parts of monoblocks. The strong impact of those deposits on WEST operation, namely perturbation of surface temperature measurement with infra-red thermography, and the emission of flakes causing radiative perturbation of the confined plasma, calls for anticipating similar issues in ITER. In particular, the start of research operation shall consider the definition of a divertor erosion budget in order to anticipate the formation of deleterious deposits.
N. Fedorczak, C. Arnas, L. Cappelli, L. Colas, Y. Corre, et al.. Survey of tungsten gross erosion from main plasma facing components in WEST during a L-mode high fluence campaign. Nuclear Materials and Energy, 2024, 41 (4), pp.101758. ⟨10.1016/j.nme.2024.101758⟩. ⟨cea-04816563⟩
H. Bufferand, G. Ciraolo, R. Düll, G. Falchetto, N. Fedorczak, et al.. Global 3D full-scale turbulence simulations of TCV-X21 experiments with SOLEDGE3X. Nuclear Materials and Energy, 2024, 41, pp.101824. ⟨10.1016/j.nme.2024.101824⟩. ⟨hal-04948123⟩ Plus de détails...
First principle modelling of edge plasma turbulence including neutrals and plasma recycling on the wall remains a challenge, in particular due to the long time scales necessary to simulate to reach particle balance. In this contribution, we propose a strategy to address these long time scales with the fluid code SOLEDGE, resorting to 2D reduced models for turbulence as well as 3D coarse grid simulations. The approach is applied to simulate TCV-X21 reference plasma scenario for edge turbulence modelling validation.
H. Bufferand, G. Ciraolo, R. Düll, G. Falchetto, N. Fedorczak, et al.. Global 3D full-scale turbulence simulations of TCV-X21 experiments with SOLEDGE3X. Nuclear Materials and Energy, 2024, 41, pp.101824. ⟨10.1016/j.nme.2024.101824⟩. ⟨hal-04948123⟩
S. Sureshkumar, N. Rivals, P. Tamain, X. Bonnin, R. Pitts, et al.. First SOLEDGE3X-EIRENE simulations of the ITER Neon seeded burning plasma boundary up to the first wall. Nuclear Materials and Energy, 2024, 41, pp.101780. ⟨10.1016/j.nme.2024.101780⟩. ⟨hal-04948159⟩ Plus de détails...
S. Sureshkumar, N. Rivals, P. Tamain, X. Bonnin, R. Pitts, et al.. First SOLEDGE3X-EIRENE simulations of the ITER Neon seeded burning plasma boundary up to the first wall. Nuclear Materials and Energy, 2024, 41, pp.101780. ⟨10.1016/j.nme.2024.101780⟩. ⟨hal-04948159⟩
