How does the electronic continuum model perform in the prediction of the surface tension of salt solutions?

International audienceThe electronic continuum (EC) model uses a scaling of the charges of the ions in order to model implicitly the polarization into nonpolarizable models. This scaling procedure is applied here to two standard nonpolarizable force fields to investigate the salt concentration dependence of the surface tension and density of NaCl aqueous solutions. The composition of the interface and the orientation of the water molecules at the water surface are reported for different combinations of force fields

Equilibrium and transport properties of CO2+N2O and CO2+NO mixtures : a molecular simulation and equation of state modelling study.

International audienceIn the present study, the thermodynamic behaviour and transport properties of CO2+N2O and CO2+NO mixtures have been investigated using molecular simulation and equation of state modelling. Molecular simulations were based on Monte Carlo and Molecular Dynamics calculations using force fields calibrated from pure component properties and no adjustment of mixture properties was performed. Original force fields were proposed for N2O, NO and N2O2 molecules. Special attention must be paid when studying nitric oxide containing systems because this compound can exist as a mixture of monomers (NO) and dimers (N2O2) under certain pressure and temperature conditions. Liquid-vapour coexistence properties of the reacting NO-N2O2 system were thus first investigated using combined reaction ensemble and Gibbs ensemble Monte Carlo methods. Using the new force fields proposed, phase compositions, phase densities and phase viscosities were determined for CO2+NOx mixtures. Due to the strong similarities between carbon dioxide and nitrous oxide (Tc(CO2) = 304.21 K; Tc(N2O) = 309.57 K; Pc(CO2) = 7.38 MPa; Pc(N2O) = 7.24 MPa), the obtained thermodynamic and transport properties for a CO2+N2O mixture with 10 mol% of N2O are similar to pure CO2 properties in the whole range of studied temperatures (273 - 293 K), in agreement with available experimental data. Calculations of CO2+NO equilibrium and transport properties were also performed at three different temperatures in the range of 253 - 273 K. At these temperatures, only the monomer form of the nitric oxide (NO) has to be accounted for. The performed calculations are pure predictions since no experimental data are available in the open literature for this system. For a mixture containing 10 mol% of NO, the simulation results show a decrease of the liquid densities and viscosities of 9% and 24% with respect to corresponding pure CO2 values, respectively. The new pseudo-experimental data generated in this work were finally used to calibrate binary interaction parameters required in standard cubic equations of states. Both Peng-Robinson and Soave-Redlich-Kwong equations of state have been considered and after the regression, they display a decent match with experimental and pseudo-experimental data of the vapour-liquid equilibrium for the two studied mixtures

A non-additive repulsive contribution in an equation of state: The development for homonuclear square well chains equation of state validated against Monte Carlo simulation

International audienceThis work consists of the adaptation of a non-additive hard sphere theory inspired by Malakhov and Volkov, Polym. Sci. Ser. A. 2007;49(6):745-756 to a square-well chain. Using the thermodynamic perturbation theory, an additional term is proposed that describes the effect of perturbing the chain of square well spheres by a non-additive parameter. In order to validate this development, NPT Monte Carlo simulations of thermodynamic and structural properties of the non-additive square well (NASW) for a pure chain and a binary mixture of chains are performed. Good agreements are observed between the compressibility factor originating from the theory and those from molecular simulations

Theoretical Investigations on the Nakamura\u27s Technique

We use synthetic calculations to investigate the spectral ratio between horizontal and vertical components (H/V ratio), derived from noise simulation, in order to appreciate the reliability of the so-called Nakamura\u27s method for site effects applications. This ratio shows a peak whose position generally coincides with the fundamental resonance frequency. We show that this position is independent of the source function, whereas it is characteristic of the geological structure. We also compare these results with those obtained for vertical S waves and Rayleigh waves, in order to better understand the significance of this HIV peak. Finally, we show that the amplitude of the H/V ratio cannot be used directly to derive the amplification for body waves, as suggested by Nakamura (1989), since it is very sensitive to parameters such as the Poisson\u27s ratio and the source-receiver distance

A computer code for forward calculation and inversion of the H/V spectral ratio under the diffuse field assumption

During a quarter of a century, the main characteristics of the horizontal-to-vertical spectral ratio of ambient noise HVSRN have been extensively used for site effect assessment. In spite of the uncertainties about the optimum theoretical model to describe these observations, several schemes for inversion of the full HVSRN curve for near surface surveying have been developed over the last decade. In this work, a computer code for forward calculation of H/V spectra based on the diffuse field assumption (DFA) is presented and tested.It takes advantage of the recently stated connection between the HVSRN and the elastodynamic Green's function which arises from the ambient noise interferometry theory. The algorithm allows for (1) a natural calculation of the Green's functions imaginary parts by using suitable contour integrals in the complex wavenumber plane, and (2) separate calculation of the contributions of Rayleigh, Love, P-SV and SH waves as well. The stability of the algorithm at high frequencies is preserved by means of an adaptation of the Wang's orthonormalization method to the calculation of dispersion curves, surface-waves medium responses and contributions of body waves. This code has been combined with a variety of inversion methods to make up a powerful tool for passive seismic surveying.Comment: Published in Computers & Geosciences 97, 67-7

Aiol. Chanson de geste (xiie-xiiie siècles), Paris, Honoré Champion, 2016

Jean-Marie Ardouin a eu raison de proposer une nouvelle édition critique de la chanson de geste Aiol après celle de Wendelin Foerster publiée en 1876 puis complétée en 1882 par des notes et un glossaire, et celle de Jacques Normand et Gaston Raynaud datant de 1877, une parution quasi simultanée qui entraîna une très vive polémique entre le philologue allemand et les médiévistes français. Il est d’ailleurs étrange de constater que cette concomitance s’est reproduite au xxie siècle puisque Sand..

Seismic noise-based methods for soft-rock landslide characterization

International audienceIn order to better understand the mechanics and dynamic of landslides, it is of primary interest to image correctly their internal structure. Several active geophysical methods are able to provide the geometry of a given landslide, but were rarely applied in 3 dimensions in the past. The main disadvantages of methods like seismic reflection or electrical tomographies are that there are heavy to set up, require for some heavy processing tools to implement, and consequently are expensive and time consuming. Moreover, in the particular case of soft-rock landslides, their respective sensitivity and resolution are not always adequate to locate the potential slip surfaces. The passive methods, which require lighter instrumentation and easier processing tools, can represent an interesting alternative, particularly for difficult accessible landslides. Among them, the seismic noise based methods have shown increasing applications and developments, in particular for seismic hazard mapping in urban environment. In this paper, we present seismic noise investigations carried out on two different sites, a mudslide and a translational clayey landslide where independent measurements (geotechnical and geophysical tests) were performed earlier. Our investigations were composed of H/V measurements, which are fast and easy to perform in the field, in order to image shear wave contrasts (slip surfaces), and seismic noise array method, which is heavier to apply and interpret, but provides S-waves velocity profile versus depth. The comparisons between geophysical investigations and geotechnical information proved the applicability of such passive methods in 3D complexes, but also some limitations. Indeed interpretation of these measurements can be tricky in rough and non-homogeneous terrains

Les classes moyennes face à l’impôt progressif sur le revenu : peut-on réformer en faveur de leur pouvoir d’achat ?

Lorsque différents échelons de gouvernement, hiérarchiquement indépendants, taxent une base commune, les choix d’un niveau hiérarchique affectent le montant total de recettes fiscales que peuvent collecter les autres décideurs. Il s’agit d’externalités fiscales verticales. Elles peuvent s’exprimer différemment selon le contexte informationnel. Or, les questions informationnelles peuvent représenter un élément clé de la relation entre décideurs publics et contribuables. En présence d’asymétrie d’information, les incitations sont modifiées et le niveau d’imposition peut s’écarter du niveau socialement optimal. Le sens, l’intensité des externalités fiscales verticales peuvent donc varier. Cet article propose un modèle permettant d’analyser le mécanisme d’externalités fiscales verticales dans un cadre prenant en compte l’existence d’asymétries d’information.When hierarchically nested but fiscally independent authorities tax a common base, a vertical externality arises as the decisions made by one tier affect the amount of tax revenue the other layers of government can collect. This paper provides such a taxation model in a framework introducing uncertainty concerning the amounts of capital likely to be invested. Indeed, informational issues may represent a key element in the relatioonship between tax-payers and governments. Uncertainty concerning the base, that is the amount of capital likely to be invested, is introduced and a generalization of taxation schemes is provided through the choice of the instruments