Search results for "physics.chem-ph"
showing 10 items of 359 documents
Temperature dependence of sodium and ionized calcium resonance lines perturbed by helium
2014
International audience; Traces of heavy metals in cool DZ white dwarf stars may be attributed to the accretion of circumstellar dust thought to originate from tidal disruption of rocky parent bodies. Spectra of such stars therefore provide a unique opportunity to study the composition of extrasolar planetary systems. The determination of metal abundances from stellar spectra depends on stellar atmospheric parameters and an accurate prior knowledge of the collision broadening of the line profiles by the most common constituents of the stellar atmosphere. For this purpose, we present theoretical absorption spectra of Na and Ca+ broadened by He for the conditions prevailing in cool white dwarf…
Study of the hydrolysis of lithium hydride
2015
The hydrolysis of LiH at room temperature and under low water vapor pressure (PH2O < 10 hPa) is investigated by thermogravimetry and FTIR spectroscopy with low sample mass. Then, to be closer to industrial conditions, hydrolysis of LiH is studied by manometry either in closed (adjustable PH2O) or open (constant PH2O) system using larger amounts of sample and heavy water. Products of the reaction are characterized by X-ray diffraction and FTIR spectroscopy. The first set of experiments show that the mechanism of hydrolysis starts with the formation of lithium oxide Li2O. Then, when the oxide layer is sufficiently thick, the hydrolysis reaction is followed by the formation of lithium hydroxid…
Isomer effects in fragmentation of Polycyclic Aromatic Hydrocarbons
2015
We have observed significant differences in the fragmentation patterns of isomeric Polycyclic Aromatic Hydrocarbon (PAH) cations following collisions with helium atoms at center-of-mass energies around 100 eV. This is in contrast to the situation at other collision energies or in photo-absorption experiments where isomeric effects are very weak and where the lowest-energy dissociation channels (H- and C2H2-loss) domihate in statistical fragmentation processes. In the 100 eV range, non-statistical fragmentation also competes and is uniquely linked to losses of single carbon atoms (CHx-losses). We find that such CHx-losses are correlated with the ionic ground state energy within a given group…
Vibrational Sum Frequency Generation Spectroscopy of the Water Liquid–Vapor Interface from Density Functional Theory-Based Molecular Dynamics Simulat…
2013
International audience; The vibrational sum frequency generation (VSFG) spectrum of the water liquid-vapor (LV) interface is calculated using density functional theory-based molecular dynamics simulations. The real and imaginary parts of the spectrum are in good agreement with the experimental data, and we provide an assignment of the SFG bands according to the dipole orientation of the interfacial water molecules. We use an instantaneous definition of the surface, which is more adapted to the study of interfacial phenomena than the Gibbs dividing surface. By calculating the vibrational (infrared, Raman) properties for interfaces of varying thickness, we show that the bulk spectra signature…
Selective adsorption of ethyl mercaptan on NaX zeolite.
2008
Adsorption on microporous solid is an alternative technique to remove mercaptans from natural gases. The present study gives equilibrium adsorption data on NaX faujasite for some pure gases representative of natural gas impurities (ethyl mercaptan, toluene and n-heptane) and their binary mixtures. The first part of the paper is devoted to the adsorption of pure gases. Experimental results show that the zeolite has a high adsorption affinity for ethyl mercaptan, toluene and n-heptane. In the second part, we examine adsorption isotherms for binary mixtures of ethyl mercaptan and toluene or n-heptane over a large domain of composition. Coadsorption enthalpies are also determined. These experim…
Reactive adsorption of thiophene on Ni/ZnO: role of hydrogen pretreatment and nature of the rate determining step.
2008
Abstract Reactive adsorption of thiophene on reduced and unreduced NiO/ZnO adsorbents was studied by thermal gravimetric analysis and by sulfidation in a fixed bed reactor at 330–375 °C and 10–40 mbar of thiophene in hydrogen. The adsorbents (12 wt% Ni) were prepared by co-precipitation of corresponding nitrates with sodium carbonate followed by calcination at 400 °C. We have found that such solids can react with thiophene without any prior reduction. Metallic Ni, indispensable for thiophene decomposition, is formed in this case in situ upon the contact with thiophene/H 2 reaction mixture. The reduction of NiO/ZnO in H 2 (360 °C, 6 h) results in the formation of Ni–Zn alloyed particles (as …
Long-ranged and soft interactions between charged colloidal particles induced by multivalent coions
2015
Forces between charged particles in aqueous solutions containing multivalent coions and monovalent counterions are studied by the colloidal probe technique. Here, the multivalent ions have the same charge as the particles, which must be contrasted to the frequently studied case where multivalent ions have the opposite sign as the substrate. In the present case, the forces remain repulsive and are dominated by the interactions of the double layers. The valence of the multivalent coion is found to have a profound influence on the shape of the force curve. While for monovalent coions the force profile is exponential down to separations of a few nanometers, the interaction is much softer and lo…
Comparative studies of ferric green rust and ferrihydrite coated sand: Role of synthesis routes
2008
International audience; A comparative study of ferrihydrite and ferric green rust coated sand prepared by three synthesis routes has been outlined in the present contribution. The two minerals displayed inverse properties in terms of quantity of deposited iron for all three methods investigated. For ferric green rust coating, a newly proposed synthesis route named as dry contact method was efficient for the maximum quantity of iron with almost full coverage area. Considering the similar parameters, the modified wet synthesis method designated as reactive method provides the optimum results for ferrihydrite coated sand. These coatings have been characterised by different surface analysis tec…
Coadsorption of hydrogen and deuterium on zeolites at cryogenic temperatures : influence of the sorbent’s properties on selectivity
2019
The adsorption of hydrogen and deuterium (single gases and mixtures) was studied on a series of zeolites with varied parameters (Si/Al ratio, nature of the charge-compensating cation, pore geometry and diameter of pore aperture). Thermodynamic adsorption selectivities towards deuterium with respect to hydrogen were measured in a large pressure range (0.1 – 1000 hPa) and for several temperatures (45 – 100 K). The adsorption selectivity was assessed using direct coadsorption measurements performed by manometry coupled with mass spectrometry. For all studied zeolites and experimental conditions, the coadsorption process is selective towards deuterium, in agreement with the literature. However,…
Modelling the cement-latex interactions : experimental and simulation approach : Consequences on the rheological propertiec
2014
Latex is used in industrial mortars to improve the material properties. This behaviour is obviously related to the interactions between cement phases and latex which are still not understood. In this frame, the aim of the present work is to understand the role of latexes in mortar in particular how the various latex characteristics, such as the latex chemistry surface, or the latex size, influence the characteristics of this complex granular system. The major issue concerns the reactivity of the cement: indeed, several parameters are modified during cement hydration which governs the development of the paste mechanical properties. Consequently in order to avoid side effects due to cement hy…