3,471 research outputs found
"Entrer dans la forteresse" : pour une édition numérique collaborative et critique de l'Encyclopédie (projet ENCCRE)
No full textPremière présentation détaillée du projet d'Edition Numérique Collaborative et CRitique de l’Encyclopédie (ENCCRE), précédée d'un état des lieux en matière d'édition numérique de l'Encyclopédie ! L'article, cosigné par une équipe franco-japonaise (A. Guilbaud, I. Passeron, M. Leca-Tsiomis, O. Ferret, V. Barrellon, Y. Sumi, T. Hemmi, T. Keseki et H. Ida), est à découvrir dans le numéro 48, paru il y a quelques jours, des Recherches sur Diderot et sur l'Encyclopédie (p. 225-261). Pour prendre c..
Le gisement Pléistocène moyen de Puig d'en Roca (Espagne)
No full textRESUME La fouille d'un colluvion d'une haute terrasse du Ter (Gérone, Espagne) a fourni une industrie archaïque en quartz, probablement mindélienne ; l'étude typologique, originale, est basée sur l'analyse du débitage.Carbonell E., Collina-Girard J., Mora R., Sala Robert, Guilbaud M. Le gisement Pléistocène moyen de Puig d'en Roca (Espagne). In: Bulletin de la Société préhistorique française, tome 85, n°7, 1988. pp. 204-209
Amplification du système analytique avec la classification des techno-complexes à galets taillés
No full textCarbonell Eudald, Guilbaud Michel, Mora Raphaël. Amplification du système analytique avec la classification des techno-complexes à galets taillés. In: Bulletin de la Société préhistorique française, tome 81, n°7, 1984. pp. 203-206
Response to Comment on "Abiotic Pyrite Formation Produces a Large Fe Isotope Fractionation"
No full textCzaja et al. assert that Guilbaud et al. claim that 1Cthe geologic record of Fe isotope fractionation can be explained by abiological precipitation of pyrite. 1D At no point did we suggest this. We reported a previously underestimated Fe isotope fractionation that contributes to the sedimentary Fe isotope signal
Phenomena associated to the transfer of rare earth involved in separation chemistry: from the molecular modelling to the chemical engineering
No full textInternational audienceRecycling of metals, such as rare earths, into valuable material relies on ion specific separation, basis of the hydrometallurgy [1]. Most of efficient methods known for separating ions are based on equilibria between complex fluids, typically between aqueous and organised organic phases. Indeed, ions migrate from the aqueous to the organic phase thanks to surfactant or extractant molecules in the organic phase, and then are captured in reverse micelles. Understanding the driving forces of the ion transfer is therefore a crucial issue to understand the properties of liquid-liquid interfaces between organic and aqueous phases, but also to assess the chemical potentials of the compounds involved. Here, we propose multi-scale approaches for calculating the thermodynamics properties of ions in aqueous and organic solutions directly comparable to the experimental ones and calculated only by taking into account the molecular properties of the solutes in solutions with no adjustable parameters. Based on the osmotic equilibrium method, activities and activity coefficients for aqueous electrolyte solutions composed of nitrate lanthanide salts have been successfully calculated [2]. Simulating vapour-liquid interfaces of mixtures and pure solvents by means of molecular dynamics yield activities and activity coefficients of concentrated solutions in good agreement with experimental findings [3].In the meantime, thermodynamics properties of solutes in organic phase have been deduced from umbrella-sampling molecular dynamics simulations. We demonstrated that molecular complexes formed in such phase during solvent extraction self-assemble as reverse micelles, and therefore induce a supramolecular organization of this medium. In most of the cases, water molecules play an essential role in the organization of this non polar medium [4].Coupling these solute molecular properties with a mesoscopic water/oil interface model allows for accessing all the thermodynamic properties needed for chemical engineering, e.g. activity coefficients, association constants, ternary phase diagrams [5].References: [1] Th. Zemb, C. Bauer, P. Bauduin, L. Belloni, C. Déjugnat, O. Diat, V. Dubois, J.-F. Dufrêche, S. Dourdain, M. Duvail, C. Larpent, F. Testard and S. Pellet-Rostaing, Colloid Polym. Sci., 2015, 293, 1–22.[2] M. Bley, M. Duvail, Ph. Guilbaud and J.-F. Dufrêche, J. Phys. Chem. B, 2017, 121, 9647–9658.[3] M. Bley, M. Duvail, Ph. Guilbaud, Ch. Penisson, J. Theisen, J.-C. Gabriel and J.-F. Dufrêche, Mol. Phys., 2018, DOI: 10.1080/00268976.2018.1444209. [4] Y. Chen, M. Duvail, Ph. Guilbaud and J.-F. Dufrêche, Phys. Chem. Chem. Phys., 2017, 19, 7094–7100. [5] M. Duvail, S. van Damme, Ph. Guilbaud, Y. Chen, Th. Zemb and J.-F. Dufrêche, Soft Matter, 2017, 13, 5518–5526
Electronic structure calculations applied to spectroscopic studies of some metal atoms
No full textAbstractIn this thesis, the electronic structure and electrodynamical processes of atomic mercury and potassium are studied experimentally and theoretically. Experimental measurements were carried out by means of both conventional photoelectron spectroscopy and multielectron coincidence technique utilizing magnetic bottle time-of-flight electron spectrometer together with pulsed synchrotron radiation. The thesis focuses on the theoretical modelling and interpretation of the experimentally observed transitions and binding energies. The calculations were carried out with relativistic multiconfiguration Dirac-Fock (MCDF) and non-relativistic Hartree-Fock (MCHF) methods. Theoretical results were used to interpret the experimental data in order to study the electron binding energy level structure and electron transition dynamics of these atoms.Original papersOriginal papers are not included in the electronic version of the dissertation.Khalal, M. A., Soronen, J., Jänkälä, K., Huttula, S.-M., Huttula, M., Bizau, J.-M., Cubaynes, D., Guilbaud, S., Ito, K., Andric, L., Feng, J., Lablanquie, P., Palaudoux, J., & Penent, F. (2017). Multielectron spectroscopy: energy levels of Kn+and Rbn+ions (n= 2, 3, 4). Journal of Physics B: Atomic, Molecular and Optical Physics, 50(22), 225003. https://doi.org/10.1088/1361-6455/aa90d6Self-archived versionPalaudoux, J., Sheinerman, S., Soronen, J., Huttula, S.-M., Huttula, M., Jänkälä, K., Andric, L., Ito, K., Lablanquie, P., Penent, F., Bizau, J.-M., Guilbaud, S., & Cubaynes, D. (2015). Valence Auger decay following 3s photoionization in potassium. Physical Review A, 92(1). https://doi.org/10.1103/physreva.92.012510Huttula, S.-M., Soronen, J., Huttula, M., Penent, F., Palaudoux, J., Andric, L., & Lablanquie, P. (2015). Auger decay of core valence double photoionized states in atomic mercury. Journal of Physics B: Atomic, Molecular and Optical Physics, 48(11), 115001. https://doi.org/10.1088/0953-4075/48/11/115001Soronen, J., Aho, S.-M., Huttula, M., Penent, F., Palaudoux, J., Andric, L., & Lablanquie, P. (2021). Photoionization and subsequent Auger decay of atomic potassium 2s subshell. Manuscript in preparation.OsajulkaisutOsajulkaisut eivät sisälly väitöskirjan elektroniseen versioon.Khalal, M. A., Soronen, J., Jänkälä, K., Huttula, S.-M., Huttula, M., Bizau, J.-M., Cubaynes, D., Guilbaud, S., Ito, K., Andric, L., Feng, J., Lablanquie, P., Palaudoux, J., & Penent, F. (2017). Multielectron spectroscopy: energy levels of Kn+and Rbn+ions (n= 2, 3, 4). Journal of Physics B: Atomic, Molecular and Optical Physics, 50(22), 225003. https://doi.org/10.1088/1361-6455/aa90d6Rinnakkaistallennettu versioPalaudoux, J., Sheinerman, S., Soronen, J., Huttula, S.-M., Huttula, M., Jänkälä, K., Andric, L., Ito, K., Lablanquie, P., Penent, F., Bizau, J.-M., Guilbaud, S., & Cubaynes, D. (2015). Valence Auger decay following 3s photoionization in potassium. Physical Review A, 92(1). https://doi.org/10.1103/physreva.92.012510Huttula, S.-M., Soronen, J., Huttula, M., Penent, F., Palaudoux, J., Andric, L., & Lablanquie, P. (2015). Auger decay of core valence double photoionized states in atomic mercury. Journal of Physics B: Atomic, Molecular and Optical Physics, 48(11), 115001. https://doi.org/10.1088/0953-4075/48/11/115001Soronen, J., Aho, S.-M., Huttula, M., Penent, F., Palaudoux, J., Andric, L., & Lablanquie, P. (2021). Photoionization and subsequent Auger decay of atomic potassium 2s subshell. Manuscript in preparation.Academic Dissertation to be presented with the assent of the Doctoral Training Committee of Technology and Natural Sciences of University of Oulu for public discussion in the Auditorium IT115, on September 10th, 2021, at 12 o’clock noon.Abstract
In this thesis, the electronic structure and electrodynamical processes of atomic mercury and potassium are studied experimentally and theoretically. Experimental measurements were carried out by means of both conventional photoelectron spectroscopy and multielectron coincidence technique utilizing magnetic bottle time-of-flight electron spectrometer together with pulsed synchrotron radiation. The thesis focuses on the theoretical modelling and interpretation of the experimentally observed transitions and binding energies. The calculations were carried out with relativistic multiconfiguration Dirac-Fock (MCDF) and non-relativistic Hartree-Fock (MCHF) methods. Theoretical results were used to interpret the experimental data in order to study the electron binding energy level structure and electron transition dynamics of these atoms
How to predict the thermodynamics of rare-earth reverse micelle involved in separation chemistry
No full textInternational audienceThe recycling of metals, such as rare earths, into valuable materials relies on ion-specific separation, which is the basis of the hydrometallurgy [1]. Most of the efficient methods known for separating ions are based on equilibria between complex fluids, typically between aqueous and organized organic phases. Understanding the driving forces of the ion transfer is, thus, a critical issue to understand the properties of liquid-liquid interfaces between organic and aqueous phases, but also to assess the chemical potentials of the species involved. Here, we propose a multiscale approach for calculating the thermodynamic properties of ions in the organic phase taking into account the molecular properties of the solutes with no adjustable parameters. We demonstrated that molecular complexes formed during solvent extraction self-assemble as reverse micelles, and therefore induced a supramolecular organization. In most of cases, water molecules play an essential role in the stability of such aggregates in non-polar media [2]. We also pointed out that the length of the solvent’s aliphatic chains has a minor effect on the elastic properties of the polar core of the aggregate, i.e., the spontaneous packing parameter and the effective bending rigidity [3,4].Coupling these molecular properties with a mesoscopic water/oil interface model based on the microemulsion theory allows for accessing all the thermodynamic properties needed for chemical engineering, e.g., activity coefficients, association constants, ternary phase diagrams [5].References[1] Th. Zemb, C. Bauer, P. Bauduin, L. Belloni, C. Déjugnat, O. Diat, V. Dubois, J.-F. Dufrêche, S. Dourdain, M. Duvail, C. Larpent, F. Testard, and S. Pellet-Rostaing. Colloid Polym. Sci. 293, 1 (2015).[2] Y. Chen, M. Duvail, Ph. Guilbaud, and J.-F. Dufrêche. Phys. Chem. Chem. Phys. 19, 7094 (2017). [3] M. Duvail, S. van Damme, Ph. Guilbaud, Y. Chen, Th. Zemb, and J.-F. Dufrêche. Soft Matter 13, 5518 (2017).[4] S. Stemplinger, M. Duvail, J.-F. Dufrêche, J. Mol. Liq. 348, 118035 (2022).[5] S. Gourdin-Bertin, J.-F. Dufrêche, M. Duvail, Th. Zemb, Solv. Extr. Ion Exch. 40, 28 (2022)
How to predict the thermodynamics of rare-earth reverse micelle involved in separation chemistry
No full textInternational audienceThe recycling of metals, such as rare earths, into valuable materials relies on ion-specific separation, which is the basis of the hydrometallurgy [1]. Most of the efficient methods known for separating ions are based on equilibria between complex fluids, typically between aqueous and organized organic phases. Understanding the driving forces of the ion transfer is, thus, a critical issue to understand the properties of liquid-liquid interfaces between organic and aqueous phases, but also to assess the chemical potentials of the species involved. Here, we propose a multiscale approach for calculating the thermodynamic properties of ions in the organic phase taking into account the molecular properties of the solutes with no adjustable parameters. We demonstrated that molecular complexes formed during solvent extraction self-assemble as reverse micelles, and therefore induced a supramolecular organization. In most of cases, water molecules play an essential role in the stability of such aggregates in non-polar media [2]. We also pointed out that the length of the solvent’s aliphatic chains has a minor effect on the elastic properties of the polar core of the aggregate, i.e., the spontaneous packing parameter and the effective bending rigidity [3,4].Coupling these molecular properties with a mesoscopic water/oil interface model based on the microemulsion theory allows for accessing all the thermodynamic properties needed for chemical engineering, e.g., activity coefficients, association constants, ternary phase diagrams [5].References[1] Th. Zemb, C. Bauer, P. Bauduin, L. Belloni, C. Déjugnat, O. Diat, V. Dubois, J.-F. Dufrêche, S. Dourdain, M. Duvail, C. Larpent, F. Testard, and S. Pellet-Rostaing. Colloid Polym. Sci. 293, 1 (2015).[2] Y. Chen, M. Duvail, Ph. Guilbaud, and J.-F. Dufrêche. Phys. Chem. Chem. Phys. 19, 7094 (2017). [3] M. Duvail, S. van Damme, Ph. Guilbaud, Y. Chen, Th. Zemb, and J.-F. Dufrêche. Soft Matter 13, 5518 (2017).[4] S. Stemplinger, M. Duvail, J.-F. Dufrêche, J. Mol. Liq. 348, 118035 (2022).[5] S. Gourdin-Bertin, J.-F. Dufrêche, M. Duvail, Th. Zemb, Solv. Extr. Ion Exch. 40, 28 (2022)
Axiomatizing the Harsanyi solution, the symmetric egalitarian solution and the consistent solution for NTU-games.
No full textA simple ultrafilter proof for an impossibility theorem in judgment aggregation
No full textWe show how ultrafilters can be used to prove a central impossibility result in judgement aggregation introduced by Nehring and Puppe (2005), namely that for a logically strongly interconnected agenda, an independent and monotonic judgement aggregation rule which satisfies universal domain, collective rationality and sovereignty is necessarily dictatorial.judgment aggregation
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