排序方式: 共有27条查询结果,搜索用时 15 毫秒
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Sabri Messaoudi Bechir Bejaoui Fourat Akrout Malika Bel Hassen Cherif Sammari 《International journal of quantum chemistry》2013,113(11):1633-1640
The heterogeneous uptake of N2O5 on mineral dust particles may play an important role in the removal of nitrogen oxides from the atmosphere. However, the reaction of N2O5 with the mineral particles is not well understood. The reaction of N2O5 with two Si(OH)4 monomers is explored using theoretical methods. This study represents a first step towards understanding the interaction of N2O5 with the hydroxyl groups of silica particles. Energies are calculated using MP2 single point calculations on the B3LYP optimized geometries and including B3LYP thermodynamic corrections. Four mechanisms are considered for the formation of two HNO3 and one H6Si2O7. The rate limiting activation barrier of the most favorable path is found to be 12.5 kcal mol?1. This reaction appears to be more favorable than the hydrolysis of N2O5 with one water molecule. These results are in agreement with experimental observations, which show that N2O5 reacts with OH groups of Saharan dust to form nitrate. © 2012 Wiley Periodicals, Inc. 相似文献
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R. El Mrabet J. M. Abril G. Manjón R. García Tenorio 《Journal of Radioanalytical and Nuclear Chemistry》2004,261(1):137-144
Radiotracer experiments are presented on 241Am uptake in natural aqueous suspensions from a reservoir and a river in SW Spain. The uptake was followed by measuring the
241Am activity in water using a liquid scintillation technique. Experimental results revealed a three-step kinetics in the uptake,
which could be satisfactorily described by a model of two parallel and reversible reactions followed by a consecutive weakly-reversible
reaction. This paper also studies the effects of the concentration of suspended matter and the specific surface area on the
kinetic transfer coefficients.
This revised version was published online in July 2006 with corrections to the Cover Date. 相似文献
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Oliva V Mrabet B Baeta Neves MI Chehimi MM Benzarti K 《Journal of chromatography. A》2002,969(1-2):261-272
Two cement pastes, commonly used in concrete formulations, were characterised by IGC at 35-80 degrees C before and after coating with an epoxy resin and a hardener. The cements are mixtures of hydrates in various proportions, such as calcium silicate hydrate (CaO-SiO2-H2O) and calcium hydroxide Ca(OH)2. Apolar and polar probes were used to determine the dispersive and acid-base characteristics of the cement pastes. These materials have high surface energy as judged from the dispersive contribution to the surface free energy (gamma(s)d) values lying in the 50-70 mJ/m2 range at 60-80 degrees C. Examination of the specific interactions permitted to show that the cement pastes are strongly amphoteric species with a substantial predominant Lewis basicity that is in line with the basic pH of their aqueous suspensions. Following coating with an epoxy resin (DGEBA) and a hardener (triethylene tetramine), the surface energy of the cements decreases substantially with the mass loading of the organic material. The surface thermodynamic properties were also correlated with the surface chemical composition as determined by X-ray photoelectron spectroscopy. 相似文献
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[N(CH3)3H]2ZnCl4 has been analyzed by X-ray powder diffraction patterns, differential scanning calorimetry and impedance spectroscopy. The [N(CH3)3H]2ZnCl4 hybrid compound is obtained by slow evaporation at room temperature and found to crystallize in the orthorhombic system with Pnma space group. Five-phase transitions at low temperature were detected by differential scanning calorimetry measurements. The analysis of Nyquist plots has revealed the contribution of three electrically active regions corresponding to the bulk mechanism, distribution of grain boundaries and electrode processes. The dielectric relaxation is described by a non-Debye model. The study of the dielectric constants ?′, ?″ and loss tangent tan (δ) with frequency exhibits a distribution of relaxation times. The complex modulus plots have confirmed the presence of grains and grain boundaries as well as a non-Debye type of relaxation in the material. Thermodynamic parameters such as the free energy for dipole relaxation ΔF, the enthalpy ΔH and the change in entropy ΔS have been determined with the help of the Eyring theory. 相似文献
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Corvis Y Barzyk W Brezesinski G Mrabet N Badis M Hecht S Rogalska E 《Langmuir : the ACS journal of surfaces and colloids》2006,22(18):7701-7711
Griseofulvin (GF) is an oral antibiotic for widely occurring superficial mycosis in man and animals caused by dermaphyte fungi; it is also used in agriculture as a fungicide. The mechanism of the biological activity of GF is poorly understood. Here, the interactions of griseofulvin with lipid membranes were studied using 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC), 1,2-dilauroyl-sn-glycero-3-phosphocholine (DLPC), and 1,2-myristoyl-sn-glycero-3-phosphoethanolamine (DMPE) monolayers spread at the air/water interface. Surface pressure (Pi), electric surface potential (Delta V), grazing incidence X-ray diffraction (GIXD), and Brewster angle microscopy (BAM) were used for studying pure phospholipid monolayers spread on GF aqueous solutions, as well as mixed phospholipid/GF monolayers spread on pure water subphase. Moreover, phospholipase A2 (PLA2) activity toward DLPC monolayers and molecular modeling of the GF surface and lipophilic properties were used to get more insight into the mechanisms of GF-membrane interactions. The results obtained show that GF has a meaningful impact on the film properties; we propose that nonpolar interactions are by and large responsible for GF retention in the monolayers. The modification of membrane properties can be detected using both physicochemical and enzymatic methods. The results obtained may be relevant for elaborating GF preparations with increased bioavailability. 相似文献