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Accueil du site > Productions scientifiques > Publications > 2013 > Equipe Modélisation et Dynamique Multiéchelles

Equipe Modélisation et Dynamique Multiéchelles

par Benjamin Rotenberg - 5 mars 2013

- Computation of pair distribution functions and three-dimensional densities with a reduced variance principle
D. Borgis, R. Assaraf, B. Rotenberg et R. Vuilleumier, Mol. Phys., 111, 3486 (2013).

- Coarse graining the dynamics of nano-confined solutes : the case of ions in clays
A. Carof, V. Marry, M. Salanne, J.P. Hansen, P. Turq et B. Rotenberg, Mol. Simul., 40, 237 (2013).

- Molecular Simulation of CO2- and CO3-Brine-Mineral Systems
L.H. Hamm, I.C. Bourg, A.F. Wallace et B. Rotenberg, Rev. Mineral. Geochem., 77, 189 (2013).

- Highly confined ions store charge more efficiently in supercapacitors
C. Merlet, C. Péan, B. Rotenberg, P.A. Madden, B. Daffos, P.-L. Taberna, P. Simon et M. Salanne, Nature Comm., 4, 2701 (2013).

- Computer simulations of ionic liquids at electrochemical interfaces
C. Merlet, B. Rotenberg, P.A. Madden et M. Salanne, Phys. Chem. Chem. Phys., 15, 15781 (2013).

- Charge Fluctuations in Nanoscale Capacitors
D.T. Limmer, C. Merlet, M. Salanne, D. Chandler, P.A. Madden, R. van Roij et B. Rotenberg , Phys. Rev. Lett., 111, 106102 (2013).

- Numerical homogenization of electrokinetic equations in porous media using lattice-Boltzmann simulations
A. Obliger, M. Duvail, M. Jardat, D. Coelho, S. Békri et B. Rotenberg, Phys. Rev. E, 88, 013019 (2013).

- Accounting for adsorption and desorption in lattice Boltzmann simulations
M. Levesque, M. Duvail, I. Pagonabarraga, D. Frenkel et B. Rotenberg, Phys. Rev. E, 88, 013308 (2013).

- Electrokinetics : insights from simulation on the microscopic scale (Topical Review)
B. Rotenberg et I. Pagonabarraga, Mol. Phys., 111, 827 (2013). Voir aussi l’éditorial.

- Influence of solvation on the structural and capacitive properties of electrical double layer capacitors C. Merlet, M. Salanne, B. Rotenberg et P. Madden, Electrochimica Acta, 101, 262 (2013)

- Molecular diffusion between walls with adsorption and desorption
M. Levesque, O. Benichou et B. Rotenberg, J. Chem. Phys., 138, 034107 (2013)

- Simulating Supercapacitors : Can We Model Electrodes As Constant Charge Surfaces ?
C. Merlet, C. Péan, B. Rotenberg, P.A. Madden, P. Simon and M. Salanne, J. Phys. Chem. Lett., 4, 264 (2013)

- How Electrostatics Influences Hydrodynamic Boundary Conditions : Poiseuille and Electro-osmostic Flows in Clay Nanopores.
A. Botan, V. Marry, B. Rotenberg, P. Turq, and B. Noetinger, J. Phys. Chem. C, 117, 978 (2013)