Search results for " solution"
showing 10 items of 3084 documents
Electrochemically-driven conformational shift in mono- and di-copper constrained macrotricyclic cyclen receptors
2008
International audience; An electrochemical study of mono- and di-copper constrained cyclen macrotricycles is presented. Electrochemical data in DMF solution indicate that the reduction of dinuclear complexes occurs in two steps in the -0.4 to -0.8 V vs.AgCl/Ag potential range yielding CuII CuI and CuI CuI species further reduced to Cu metal at highly negative potentials. Mononuclear complexes are reduced in two steps to CuI and Cu metal. Electrochemical data suggest that reduction of both mononuclear and dinuclear complexes approach a square scheme involving electrochemically-driven conformational shifts for metal ions. The presence of endo- and exo-forms of the complexes are revealed by ch…
Computational Study of the Effect of Glyoxal–Sulfate Clustering on the Henry’s Law Coefficient of Glyoxal
2014
We have used quantum chemical methods to investigate the molecular mechanism behind the recently reported ( Kampf , C. J. ; Environ. Sci. Technol . 2013 , 47 , 4236 - 4244 ) strong dependence of the Henry's law coefficient of glyoxal (C2O2H2) on the sulfate concentration of the aqueous phase. Although the glyoxal molecule interacts only weakly with sulfate, its hydrated forms (C2O3H4 and C2O4H6) form strong complexes with sulfate, displacing water molecules from the solvation shell and increasing the uptake of glyoxal into sulfate-containing aqueous solutions, including sulfate-containing aerosol particles. This promotes the participation of glyoxal in reactions leading to secondary organic…
Dimensionless Stage-Discharge Relationship for a Non-Linear Water Reservoir: Theory and Experiments
2020
In the field of hydrology, stage&ndash
Trace elements in the thermal groundwaters of Vulcano Island (Sicily)
2000
The chemical concentrations of many trace elements that have never before been examined in Vulcano Island groundwaters are reported. Chemical data indicate that rock composition is not the only factor determining the metal content in the aqueous system. The observed concentrations depend mainly on: (1) the chemical composition of the host rocks; (2) the chemical–physical conditions of the weathering solution (temperature, acidity, redox conditions); (3) input of magmatic gases; (4) adsorption of metal ions on oxide particles, formation of soluble complexes and/or precipitation of solid phases. Chloride complexes in solution are of minimal significance for all elements with the exception of …
Activity-composition relations for the calculation of partial melting equilibria in metabasic rocks
2020
A set of thermodynamic models is presented that, for the first time, allows partial melting equilibria to be calculated for metabasic rocks. The models consist of new activity–composition relations combined with end-member thermodynamic properties from the Holland & Powell dataset, version 6. They allow for forward modelling in the system Na (Formula presented.) O–CaO–K (Formula presented.) O–FeO–MgO–Al (Formula presented.) O (Formula presented.) –SiO (Formula presented.) –H (Formula presented.) O–TiO (Formula presented.) –Fe (Formula presented.) O (Formula presented.). In particular, new activity–composition relations are presented for silicate melt of broadly trondhjemitic–tonalitic compo…
Reactive oxygen species formed in aqueous mixtures of secondary organic aerosols and mineral dust influencing cloud chemistry and public health in th…
2017
Mineral dust and secondary organic aerosols (SOA) account for a major fraction of atmospheric particulate matter, affecting climate, air quality and public health. How mineral dust interacts with SOA to influence cloud chemistry and public health, however, is not well understood. Here, we investigated the formation of reactive oxygen species (ROS), which are key species of atmospheric and physiological chemistry, in aqueous mixtures of SOA and mineral dust by applying electron paramagnetic resonance (EPR) spectrometry in combination with a spin-trapping technique, liquid chromatography-tandem mass spectrometry (LC-MS/MS), and a kinetic model. We found that substantial amounts of ROS includi…
Assessing optimal water quality monitoring network in road construction using integrated information-theoretic techniques
2020
Author´s accepted manuscript. The environmental impacts of road construction on the aquatic environment necessitate the monitoring of receiving water quality. The main contribution of the paper is developing a feasible methodology for spatial optimization of the water quality monitoring network (WQMN) in surface water during road construction using the field data. First, using the Canadian Council of Ministers of the Environment (CCME) method, the water quality index (WQI) was computed in each potential monitoring station during construction. Then, the integrated form of the information-theoretic techniques consists of the transinformation entropy (TE), and the value of information (VOI) we…
13C composition of dissolved organic carbon in upland forested catchments of the Morvan Mountains (France): Influence of coniferous and deciduous veg…
2007
10 pages; International audience; One of the main environmental changes caused by human activities is that of land use. These changes influence the quantity and quality of the dissolved organic matter (DOM) fluxes through the vegetation–soil–stream system. The aim of this work is to evaluate the influence of the substitution of native deciduous forests by well managed coniferous forests on dissolved organic carbon (DOC) fluxes and their associated carbon isotopic composition (d13CDOC). DOC fluxes and d13CDOC were monitored for 2 years in the streams of four similar upland forested catchments in the Morvan Mountains (France). Mean annual DOC concentrations and fluxes were 2–4 times lower in …
The influence of rock heterogeneity on the scaling properties of simulated and natural stylolites
2009
International audience; Stylolites are among the most prominent deformation patterns in sedimentary rocks that document localized pressure solution. Recent studies revealed that stylolite roughness is characterized by two distinct scaling regimes. The main goal of the present study is to decipher whether this complex scaling behavior of stylolites is caused by the composition of the host-rock, i.e. heterogeneities in the material, or is governed by inherent processes on respective scales, namely the transition from a surface energy to an elastic energy dominated regime, as theoretically predicted. For this purpose we have developed a discrete numerical technique, based on a lattice spring m…
Modelling of stylolite geometries and stress scaling
2012
International audience; In this contribution we present numerical simulations of stylolite growth to decipher the effects of initial rock heterogeneity and stress on their morphology. We show that stylolite growth in a rock with a uniform grain size produces different patterns than stylolite growth in a rock with a bimodal grain size distribution. Strong pinning of large heterogeneities produce stylolite structures that are dominated by pronounced teeth, whereas a uniform grain size leads to spikes and a roughness that shows variable wavelengths. We compare the simulated stylolites with natural examples and show that the model can reproduce the real structures. In addition we show that stro…