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Thomas Cartier-Michaud, Philippe Ghendrih, Virginie Grandgirard, Eric Serre. Verification and accuracy check of simulations with PoPe and iPoPe. Journal of Computational Physics, 2023, 474, pp.111759. ⟨10.1016/j.jcp.2022.111759⟩. ⟨hal-03871954⟩ Plus de détails...
The theoretical background of the PoPe and iPoPe verification scheme is presented. Verification is performed using the simulation output of production runs. The computing overhead is estimated to be at most 10%. PoPe or iPoPe calculations can be done offline provided the necessary data is stored, for example additional time slices, or online where iPoPe is more effective. The computing overhead is mostly that of storing the necessary data. The numerical error is determined and split into a part proportional to the operators, which are combined to form the equations to be solved, thus modifying their control parameters, completed by a residual error orthogonal to these operators. The accuracy of the numerical solution is determined by this modification of the control parameters. The PoPe and iPoPe methods are illustrated in this paper with simulations of a simple mechanical system with chaotic trajectories evolving into a strange attractor with sensitivity to initial conditions. We show that the accuracy depends on the particular simulation both because the properties of the numerical solution depend on the values of the control parameter, and because the target accuracy will depend on the problem that is addressed. One shows that for a case close to bifurcations between different states, the accuracy is determined by the level of detail of the bifurcation phenomena one aims at describing. A unique verification index, the PoPe index, is proposed to characterise the accuracy, and consequently the verification, of each production run. The PoPe output allows one to step beyond verification and analyse for example the numerical scheme efficiency. For the chosen example at fixed PoPe index, therefore at fixed numerical error, one finds that the higher order integration scheme, comparing order 4 to order 2 Runge-Kutta time stepping, reduces the computation cost by a factor 4.
Thomas Cartier-Michaud, Philippe Ghendrih, Virginie Grandgirard, Eric Serre. Verification and accuracy check of simulations with PoPe and iPoPe. Journal of Computational Physics, 2023, 474, pp.111759. ⟨10.1016/j.jcp.2022.111759⟩. ⟨hal-03871954⟩
Revaz Chachanidze, Kaili Xie, Jinming Lyu, Marc Jaeger, Marc Leonetti. Breakups of Chitosan microcapsules in extensional flow. Journal of Colloid and Interface Science, 2023, 629, pp.445-454. ⟨10.1016/j.jcis.2022.08.169⟩. ⟨hal-03787637⟩ Plus de détails...
The controlled rupture of a core-shell capsule and the timely release of encapsulated materials are essential steps of the efficient design of such carriers. The mechanical and physico-chemical properties of their shells (or membranes) mainly govern the evolution of such systems under stress and notably the link between the dynamics of rupture and the mechanical properties. This issue is addressed considering weakly cohesive shells made by the interfacial complexation of Chitosan and PFacid in a planar extensional flow. Three regimes are observed, thanks to the two observational planes. Whatever the time of reaction in membrane assembly, there is no rupture in deformation as long as the hydrodynamic stress is below a critical value. At low times of complexation (weak shear elastic modulus), the rupture is reminiscent of the breakup of droplets: a dumbell or a waist. Fluorescent labelling of the membrane shows that this process is governed by continuous thinning of the membrane up to the destabilization. It is likely that the membrane shows a transition from a solid to liquid state. At longer times of complexation, the rupture has a feature of solid-like breakup (breakage) with a discontinuity of the membrane. The maximal internal constraint determined numerically marks the initial location of breakup as shown. The pattern becomes more complex as the elongation rate increases with several points of rupture. A phase diagram in the space parameters of the shear elastic modulus and the hydrodynamic stress is established.
Revaz Chachanidze, Kaili Xie, Jinming Lyu, Marc Jaeger, Marc Leonetti. Breakups of Chitosan microcapsules in extensional flow. Journal of Colloid and Interface Science, 2023, 629, pp.445-454. ⟨10.1016/j.jcis.2022.08.169⟩. ⟨hal-03787637⟩
Shumet Sharew, Ludovic Montastruc, Abubeker Yimam, Stephane Negny, Jean-Henry Ferrasse. Alternative Energy Potential and Conversion Efficiency of Biomass into Target Biofuels: A Case Study in Ethiopian Sugar Industry- Wonji-Shoa. Biomass, 2022, 2 (4), pp.279-298. ⟨10.3390/biomass2040019⟩. ⟨hal-03936793⟩ Plus de détails...
Global energy security relies on fossil-based resources that are affiliated with the source of global warming, apart from punches of political and economic instabilities. Biomass is a promising alternative carbonaceous feedstock used for the production of clean energy that could have the potential to substitute for fossil fuels. This study aims to present a conceptual design that considers the criteria to identify the upper theoretical limits of biomass conversion, thus providing the potential approach to the conversion of three biomass (by-products: dry molasses, dry bagasse, and dry filter cake) through gasification, in order to contribute the biomass carbon-capturing by the model assessment of stoichiometric mass conversion and energy efficiency indicators into simple thermodynamic energy vectors, such as alcohols, alkanes, and syngas (a mixture of carbon monoxide and hydrogen). Modeling plays up the importance of stoichiometric efficiency of biomass conversion with the supply of oxygen and hydrogen. This realizes that the multi-product diversification of feedstock into syngas, hydrocarbons, and alcohol through integrated process schemes could have the potential to fill the energy gap and help to manage environmental load. In regard to biomass conversion results, the mass conversion and energy conversion efficiencies of dry bagasse have better conversion potential than molasses and F. cake (% mass conversion = 129 in syngas, 54.4 in alkane, and 43.4 in alcohol; % energy conversion = 94.3 in syngas and 93.3 in alkane and alcohol).
Shumet Sharew, Ludovic Montastruc, Abubeker Yimam, Stephane Negny, Jean-Henry Ferrasse. Alternative Energy Potential and Conversion Efficiency of Biomass into Target Biofuels: A Case Study in Ethiopian Sugar Industry- Wonji-Shoa. Biomass, 2022, 2 (4), pp.279-298. ⟨10.3390/biomass2040019⟩. ⟨hal-03936793⟩
Cristian Barca, Matteo Magari, Hélène Miche, Pierre Hennebert. Effect of different wastewater composition on kinetics, capacities, and mechanisms of phosphorus sorption by carbonated bauxite residue. Journal of Environmental Chemical Engineering, 2022, 10 (6), pp.108922. ⟨10.1016/j.jece.2022.108922⟩. ⟨hal-03884024⟩ Plus de détails...
This study aims at evaluating the effect of different wastewater composition on kinetics, capacities, and mechanisms of P sorption by carbonated bauxite residues (CBR). A series of batch experiments was performed to investigate P sorption behaviors from solutions prepared with different aqueous matrices (deionized water, tap water, and real wastewater) and different initial P concentrations (from 10 to 200 mg P/L). Also, a series of sequential P extractions was performed to investigate P fractionation of CBR before and after its use in P sorption experiments, and hence to elucidate the main P removal mechanisms. The results indicate that initial P concentration is the most influential parameter controlling kinetics, capacities, and mechanisms of P removal in batch experiments. Kinetic constant of P sorption increases exponentially with decreasing initial P concentration below 100 mg P/L, thus indicating a faster achievement of P sorption equilibrium. Equilibrium P sorption capacities increase linearly from about 0.2 to about 3.9 mg P/g CBR with increasing initial P concentration from 10 to 200 mg P/L, thus indicating that P saturation of CBR was not reached. Ca phosphate precipitation is the main P removal mechanism at higher initial P concentrations (> 10 mg P/L), whereas phosphate adsorption on CBR surface becomes more relevant over the total amount of P removed at lower initial P concentrations. Overall, the findings of this study allow to evaluate kinetic constants, sorption capacities, and removal mechanisms under different operating scenarios, thus providing crucial information for the design and operation of P treatment units.
Cristian Barca, Matteo Magari, Hélène Miche, Pierre Hennebert. Effect of different wastewater composition on kinetics, capacities, and mechanisms of phosphorus sorption by carbonated bauxite residue. Journal of Environmental Chemical Engineering, 2022, 10 (6), pp.108922. ⟨10.1016/j.jece.2022.108922⟩. ⟨hal-03884024⟩
Journal: Journal of Environmental Chemical Engineering
Said Taileb, Alejandro Millán-Merino, Song Zhao, Pierre Boivin. Lattice-Boltzmann modeling of lifted hydrogen jet flames: A new model for hazardous ignition prediction. Combustion and Flame, 2022, 245, pp.112317. ⟨10.1016/j.combustflame.2022.112317⟩. ⟨hal-03796395⟩ Plus de détails...
This numerical study deals with the hazardous ignition of a jet flame in a vitiated co-flow. A novel formulation, based on a passive scalar variable, will be presented to predict hydrogen auto-ignition events. The model, derived from the theoretical analysis of the Jacobian, correctly describes the appearance and absence of auto-ignition in complex configurations based on initial thermodynamic and mixture conditions. No chemical reaction and species equations are required to perform the simulations. Results of Lattice Boltzmann Methods (LBM) simulations of a 3D H 2 /N 2 Cabra flame will be presented using a detailed H 2-Air mechanism. Validation against experimental and numerical results will be provided for the lift-off (distance to auto-ignition). The passive scalar predictions are successfully compared with the reactive simulations. The results show a potential extension of this model to an extensive spectrum of hydrogen safety and large-scale turbulent combustion applications.
Said Taileb, Alejandro Millán-Merino, Song Zhao, Pierre Boivin. Lattice-Boltzmann modeling of lifted hydrogen jet flames: A new model for hazardous ignition prediction. Combustion and Flame, 2022, 245, pp.112317. ⟨10.1016/j.combustflame.2022.112317⟩. ⟨hal-03796395⟩
Alejandro Millán-Merino, Said Taileb, Pierre Boivin. A new method for systematic 1-step chemistry reduction applied to hydrocarbon combustion. Proceedings of the Combustion Institute, 2022, ⟨10.1016/j.proci.2022.08.052⟩. ⟨hal-03825847⟩ Plus de détails...
We propose a new single-step mechanism for the combustion of arbitrary hydrocarbons and alcohols. Unlike most single-step models, no tabulation is required, as the method builds upon a new analytical description of the thermochemical equilibrium of fuel-oxidizer mixtures including dihydrogen and carbon monoxide-two species usually discarded in one-step descriptions-yielding correct adiabatic temperature. The single-step chemistry includes varying stoichiometric coefficients, ensuring a convergence towards thermochemical equilibrium regardless of the local state. The reaction rate is then carefully adjusted to reproduce accurately premixed flames. To tackle ignition simultaneously, an additional passive scalar advection-diffusion-reaction equation is introduced, with a rate fitted on ignition delays. The scalar then serves as an efficiency to modify the single-step reaction rate in autoignition configurations. The obtained scheme is then validated for a wide range of equivalence ratios on homogeneous reactors, premixed flames, a triple flame, and a counterflow diffusion flame. The new analytical thermochemical equilibrium formulation may also serve in speeding up infinitely fast chemistry calculations.
Alejandro Millán-Merino, Said Taileb, Pierre Boivin. A new method for systematic 1-step chemistry reduction applied to hydrocarbon combustion. Proceedings of the Combustion Institute, 2022, ⟨10.1016/j.proci.2022.08.052⟩. ⟨hal-03825847⟩
Samuele Mazzi, David Zarzoso. Parametric Validation of the Reservoir Computing–Based Machine Learning Algorithm Applied to Lorenz System Reconstructed Dynamics. Complex Systems , 2022, 31 (3), pp.311-339. ⟨10.25088/ComplexSystems.31.3.311⟩. ⟨hal-03838327⟩ Plus de détails...
A detailed parametric analysis is presented, where the recent method based on the reservoir computing paradigm, including its statistical robustness, is studied. It is observed that the prediction capabilities of the reservoir computing approach strongly depend on the random initialization of both the input and the reservoir layers. Special emphasis is put on finding the region in the hyperparameter space where the ensemble-averaged training and generalization errors together with their variance are minimized. The statistical analysis presented here is based on the projection on proper elements method.
Samuele Mazzi, David Zarzoso. Parametric Validation of the Reservoir Computing–Based Machine Learning Algorithm Applied to Lorenz System Reconstructed Dynamics. Complex Systems , 2022, 31 (3), pp.311-339. ⟨10.25088/ComplexSystems.31.3.311⟩. ⟨hal-03838327⟩
S Mazzi, J Garcia, David Zarzoso, Ye Kazakov, J Ongena, et al.. Gyrokinetic study of transport suppression in JET plasmas with MeV-ions and toroidal Alfvén eigenmodes. Plasma Physics and Controlled Fusion, 2022, 64 (11), pp.114001. ⟨10.1088/1361-6587/ac91f3⟩. ⟨hal-03838290⟩ Plus de détails...
The impact of fast ions, generated in the MeV-range through the efficient application of the three-ion scheme in JET plasmas, on the turbulence properties is presented through complex numerical simulations. The suppression of the ion-scale turbulent transport is studied by means of in-depth gyrokinetic numerical analyses. Such a suppression is demonstrated to be achieved in the presence of toroidal Alfvén eigenmodes (TAEs) destabilized by the highly energetic ions. Details on the TAE excitation are also provided with a multi-code analysis. The inherently nonlinear and multi-scale mechanism triggered by the fast ions, also involving the high-frequency modes and the large-scale zonal flows, is deeply analyzed. Such mechanism is thus demonstrated, with experimental validating studies, to be the main cause of turbulence suppression and improvement of ion thermal confinement. Additional simulations address the implications of reversed shear magnetic equilibrium on the turbulent transport.
S Mazzi, J Garcia, David Zarzoso, Ye Kazakov, J Ongena, et al.. Gyrokinetic study of transport suppression in JET plasmas with MeV-ions and toroidal Alfvén eigenmodes. Plasma Physics and Controlled Fusion, 2022, 64 (11), pp.114001. ⟨10.1088/1361-6587/ac91f3⟩. ⟨hal-03838290⟩
Valentina Segneri, Jean Henry Ferrasse, Antonio Trinca, Giorgio Vilardi. An Overview of Waste Gasification and Syngas Upgrading Processes. Energies, 2022, 15 (17), pp.6391. ⟨10.3390/en15176391⟩. ⟨hal-03936798⟩ Plus de détails...
The increasing attention towards climate change and greenhouse gas emissions makes the exploitation of renewable energy sources one of the key pathways for sustainable power generation or chemical production [...]
Valentina Segneri, Jean Henry Ferrasse, Antonio Trinca, Giorgio Vilardi. An Overview of Waste Gasification and Syngas Upgrading Processes. Energies, 2022, 15 (17), pp.6391. ⟨10.3390/en15176391⟩. ⟨hal-03936798⟩
Samuele Mazzi, Yann Camenen, Jeronimo Garcia, David Zarzoso, D. Frigione, et al.. Effects of the parallel flow shear on the ITG-driven turbulent transport in tokamak plasmas. Nuclear Fusion, 2022, 62 (9), pp.096024. ⟨10.1088/1741-4326/ac7ac2⟩. ⟨hal-03838283⟩ Plus de détails...
Abstract The impact of the parallel flow shear on the tokamak plasma stability and turbulent transport driven by the ion temperature gradient (ITG) modes is analyzed by means of local gyrokinetic numerical analyses. It is shown that the parallel flow shear increases the ITG growth rate in the linear regime, and induces a broadening and shift of the radial spectrum. Then, the different effects of the finite parallel shear on the ITG turbulence characteristics are deeply analyzed in the nonlinear regime. These studies highlight that a reduction of the thermal-ion turbulent heat flux is induced by a complex mechanism involving the nonlinear generation of an enhanced zonal flow activity. Indeed, the turbulent sources of the zonal flows are increased by the introduction of the finite parallel flow shear in the system, beneficially acting on the saturation level of the ITG turbulence. The study has been carried out for the Waltz standard case below the critical threshold of the destabilization of the parallel velocity gradient instability, and then generalized to a selected pulse of a recent JET scenario with substantial toroidal rotation in the edge plasma region. It is, thus, suggested that the investigated complex mechanism triggered by the finite parallel flow shear reducing the ITG turbulent heat fluxes could be complementary to the well-established perpendicular flow shear in a region with sufficiently large plasma toroidal rotation.
Samuele Mazzi, Yann Camenen, Jeronimo Garcia, David Zarzoso, D. Frigione, et al.. Effects of the parallel flow shear on the ITG-driven turbulent transport in tokamak plasmas. Nuclear Fusion, 2022, 62 (9), pp.096024. ⟨10.1088/1741-4326/ac7ac2⟩. ⟨hal-03838283⟩
