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Accueil du site > Productions scientifiques > Publications > 2018 > Equipe Modélisations et Expériences Multiéchelles

Equipe Modélisations et Expériences Multiéchelles

par Benjamin Rotenberg - 9 janvier 2018

  1. Underscreening in ionic liquids : a first principles analysis
    B. Rotenberg, O. Bernard, J.-P. Hansen, J. Phys. Condens. Matter, 30, 054005 (2018).
  2. Ion-ion correlations across and between electrified graphene layers
    T. Mendez-Morales, M. Burbano, M. Haeffele, B. Rotenberg, M. Salanne, J. Chem. Phys., 148, 193812 (2018).
  3. Daan Frenkel – An entropic career
    B. Evans, A. Galindo, G. Jackson, R. Lynden-Bell, B. Rotenberg, Mol. Phys., 116(21-22), 2737 (2018).
  4. Moment propagation method for the dynamics of charged adsorbing/desorbing species at solid-liquid interfaces
    A. Asta, M. Levesque, B. Rotenberg, Mol. Phys., 116(21-22), 2965 (2018).
  5. Casimir force in dense confined electrolytes
    A.A. Lee, J.-P. Hansen, O. Bernard, B. Rotenberg, Mol. Phys., 116(21-22), 3147 (2018).
  6. Classical Polarizable Force Field to Study Hydrated Hectorite : Optimization on DFT Calculations and Validation against XRD Data
    R. Hande, V. Ramothe, S. Tesson, B. Dazas, E. Ferrage, B. Lanson, M. Salanne, B. Rotenberg and V. Marry, Mineral, 8, 205 (2018).
  7. Dripplons as localized and superfast ripples of water confined between graphene sheets
    H. Yoshida, K. Vojtech, B. Rotenberg, L. Bocquet, Nature Commun., 9, 1496 (2018)
  8. Blue Energy and Desalination with Nanoporous Carbon Electrodes : Capacitance from Molecular Simulations to Continuous Models
    M. Simoncelli, N. Ganfoud, A. Sene, M. Haefele, B. Daffos, P.-L. Taberna, M. Salanne, P. Simon, B. Rotenberg, Phys. Rev. X 8, 021024 (2018)
  9. Mineral- and Ion-Specific Effects at Clay–Water Interfaces : Structure, Diffusion, and Hydrodynamics
    P. Simonnin, V. Marry, B. Noetinger, C. Nieto-Draghi, B. Rotenberg, J. Phys. Chem. C, 112, 18484 (2018).
  10. Capacitive Performance of Water-in-Salt Electrolytes in Supercapacitors : A Simulation Study
    Z. Li, G. Jeanmairet, T. Mendez-Morales, B. Rotenberg, M. Salanne, J. Phys. Chem. C, 112, 23917 (2018).
  11. Classical Polarizable Force Field To Study Hydrated Charged Clays and Zeolites
    S. Tesson, W. Louisfrema, M. Salanne, A. Boutin, E. Ferrage, B. Rotenberg, V. Marry, J. Phys. Chem. C, 122, 24690 (2018).
  12. Hydrodynamic interactions between solutes in multiparticle collision dynamics
    V. Dahirel, X. Zhao, B. Couet, G. Batôt, M. Jardat, Phys. Rev. E, 98, 053301 (2018).
  13. Computation of the Hydrodynamic Radius of Charged Nanoparticles from Nonequilibrium Molecular Dynamics
    L.B. Weiss, V. Dahirel, V. Marry, M. Jardat, J. Phys. Chem. B, 122, 5940−5950 (2018).
  14. Soft X-ray Heterogeneous Radiolysis of Pyridine in the Presence of Hydrated Strontium-Hydroxyhectorite and its Monitoring by Near-Ambient Pressure Photoelectron Spectroscopy
    A. Boucly, F. Rochet, Q. Arnoux, J.-J. Gallet, F. Bournel, H. Tissot, V.Marry, E.Dubois, L. Michot, Sci. Rep., 8, 6164 (2018).
  15. Core/Shell Nanoparticles of Non-Stoichiometric Zn−Mn and Zn−Co Ferrites as Thermosensitive Heat Sources for Magnetic Fluid Hyperthermia
    V. Pilati, R. Cabreira Gomes, G. Gomide, P. Coppola, F. G. Silva, F.L.O. Paula, R. Perzynski, G. F. Goya, R. Aquino, J. Depeyrot, J. Phys. Chem. C, 122, 3028 (2018).
  16. Thermoelectricity and thermodiffusion in magnetic nanofluids : entropic analysis
    T.J. Salez, S. Nakamae, R. Perzynski, G. Mériguet, A. Cebers, M. Roger, Entropy, 20, 405 (2018).
  17. Thermodiffusion of repulsive charged nanoparticles - Interplay between single particle and thermoelectric contributions
    R. Cabreira Gomes, A. Ferreira da Silva, M. Konyaté, G. Demouchy, G. Mériguet, R. Aquino, E. Dubois, S. Nakamae, M. Roger, J. Depeyrot, R. Perzynski, Phys. Chem. Chem. Phys., 20, 16402 (2018). Hot Paper 2018
  18. Dispersions of Magnetic Nanoparticles in the Deep Eutectic Solvent Ethyleneglycol - Choline Chloride : the Role of Solvent Association
    C. Kern, R. Aquino, E. Dubois, R. Perzynski, V. Peyre, J. Mol. Liq, 268, 545 (2018).
  19. Organic electrolyte solutions : Modeling of deviations from ideality within the binding mean spherical approximation
    J.P. Simonin, O. Bernard, Fluid Phase Equilib., 458, 58 (2018).
  20. Modeling of mixed-solvent electrolyte systems
    S. Ahmed, N.J.C. de Hemptinne, J.P. Simonin, O. Bernard, O. Baudouin, Fluid Phase Equilib., 459, 138 (2018).
  21. Association of counterions on polyelectrolytes : Thermodynamic properties in the binding mean spherical approximation
    O. Bernard, J.P. Simonin, J. Mol. Liq., 270, 14 (2018).
  22. Influence of Strong Confinement on the Structure and Dynamics of Liquids : a Study of the Clay/Water Interface Exploiting 2H NMR Spectroscopy and Spin-Locking Relaxometry
    P. Porion, A.-M. Faugère, A.-L. Rollet, E. Dubois, V. Marry, L.J. Michot, A. Delville, J. Phys. Chem. C, 122, 16830 (2018).
  23. In memory of Lesser Blum
    D. Henderson, L. B. Bhuiyan, O. Bernard, M. Holovko, J. Mol. Liq., 270, 1 (2018).
  24. Non-additivity of ionic radii in electrolyte solutions : Hofmeister effect on mixtures modeled by an Associated MSA model
    A. Villard, O. Bernard, J.-F. Dufrêche, J. Mol. Liq., 270, 30 (2018).
  25. Conductivity of weak electrolytes for buffer solutions : Modeling within the mean spherical approximation
    O. Bernard, J. Aupiais, J. Mol. Liq., 272, 631 (2018).
  26. How do Nucleotides Adsorb Onto Clays ?
    U. Pedreira-Segade et al., Life, 8, 59 (2018).
  27. Pourquoi faisons-nous des expériences en cours d’université  ?
    M. Jardat, G. Mériguet, A. Courty, L’Act. Chim., 433, 34 (2018).
  28. Mesoscale pore structure of a high‐performance concrete by coupling focused ion beam/scanning electron microscopy and small angle X‐ray scattering
    S. Brisard, C.A. Davy, L. Michot, D. Troadec, P. Levitz, J. Am. Ceram. Soc., 102, 2905 (2018).
  29. Synchrotron X-ray nanotomographic and spectromicroscopic study of the tricalcium aluminate hydration in the presence of gypsum
    G. Geng et al., Cem. Concrete Res., 111, 130 (2018).
  30. Imaging of alumina supports by laser-induced breakdown spectroscopy : A new tool to understand the diffusion of trace metal impurities
    F. Trichard et al., J. Catal. 363, 183 (2018).
  31. Mesoscale structure, mechanics, and transport properties of source rocks’ organic pore networks
    J. Berthonneau et al., PNAS, 115, 12365 (2018).
  32. Asphaltenes diffusion/adsorption through catalyst alumina supports – Influence on catalytic activity
    B. Guichard, F. Gaulier, J. Barbier, T. Corre, J. Bonneau, P. Levitz, D. Espinat, Catal. Today, 309, 49 (2018).
  33. Do Very Small POSS Nanoparticles Perturb s-PMMA Chain Conformations ?
    N. Jouault et al., Macromolecules, 51, 5278 (2018).
  34. Impact of the electrostatic interaction on the diffusion of small polyelectrolytes in charged colloidal suspensions
    C. Dolce, G. Mériguet, J. Mol. Liq., 272, 821 (2018).
  35. Ion-specificity and surface water dynamics in protein solutions
    T. Janc, M, Luksic, V. Vlachy, B. Rigaud, A.-L. Rollet, J.-P. Korb, G. Mériguet, N. Malikova, Phys. Chem. Chem. Phys., 20, 30340 (2018).
  36. Interfacial and Intermittent Dynamics of Water in Colloidal Systems as Probed by Fast Field-cycling Relaxometry
    P. Levitz, In R. Kimmich (Ed.), New Developments in NMR, pp. 303–321 (2018).
  37. Autopoietic Behavior of Dynamic Covalent Amphiphiles
    R. Nguyen, N. Jouault, S. Zanirati, M. Rawiso, L. Allouche, E. Buhler, N. Giuseppone, Chem. : Eur J., 24, 17125 (2018).
  38. Influence of crystal structure defects on the small-angle neutron scattering/diffraction patterns of clay-rich porous media
    E. Ferrage, F. Hubert, A. Baronnet, O. Grauby, E. Tertre, A. Delville, I. Bihannic, D. Prêt, L. J. Michot, P. Levitz, J. Appl. Cryst. , 51, 1311 (2018).
  39. Interactions between kaolinite clay and AOT
    A. Suzzoni, L. Barre, E. Kohler, P. Levitz, L.J. Michot, J. M’Hamdia, Coll. Surf. A, 556, 309 (2018).

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