Search results for "Note"
showing 10 items of 10709 documents
Hydrate Networks under Mechanical Stress – A Case Study for Co 3 (PO 4 ) 2 ·8H 2 O
2016
The nature of the bound water in solids with hydrogen-bonded networks depends not only on temperature and pressure but also on the nature of the constituents. The collapse and reorientation of these network structures determines the stability of hydrated solids and transitions to other crystalline or amorphous phases. Here, we study the mechanochemically induced loss of bound water in Co₃(PO₄)₂·8H₂O and compare this process to the behavior under hydrostatic pressure. The associated phase transition and its kinetics were monitored by X-ray powder diffraction with Synchrotron radiation and quantitative IR spectroscopy. High shearing forces are responsible for the degradation of the hydrogen-b…
Bond length compressibility in hard ReB2 investigated by x-ray absorption under high pressure
2010
International audience; This work describes x-ray absorption measurements under high pressure in ReB2 , complemented by ab initio calculations. The EXAFS analysis yields the average Re–B bond compressibility, which turns out to be χReB = 5.6(9) × 10− 4 GPa−1 . Combining this information with previous x-ray diffraction experiments we have characterized the network of covalent bonds responsible for the rigidity of the structure. The main conclusion is that the compression is anisotropic and nonhomogeneous, reflecting bonding differences between Re–B and B–B bonds and also between nonequivalent Re–B bonds. The layer defined by boron atoms tends to become flatter under high pressure. As a conse…
Determination of Geometry Arrangement of Copper Ions in HKUST-1 by XAFS During a Prolonged Exposure to Air
2017
We present an experimental investigation focused on the local structural changes taking place around Cu2+ions in metalâ organic framework (MOF) HKUST-1 for different times of exposure to air by XAFS (X-ray absorption fine structure). The analysis involves both XANES (X-ray absorption near edge structure) and EXAFS (extended X-ray absorption fine structure) regions around the Cu K-edge. Starting from the paddle-wheel structures proposed in literature, a more detailed description of the geometrical environment of Cu2+ions has been found. In particular, the paddle-wheel structure of a fresh sample, which means a pristine HKUST-1 material with a single water molecule weakly adsorbed on each C…
Sulfur-free pulping of hot-water-extracted spruce sawdust
2016
Softwood (Picea abies) sawdust was hot-water-extracted with two multi-phase processes (160-180°C, 100-280 min, and liquor-to-wood ratio 5 l/kg) corresponding to P-factors of ~780 (yield 80.0%) and ~4580 (yield 72.4%). The pre-treated materials were then pulped with the soda-AQ cooking (170°C, NaOH charge 20%, AQ charge 0.1%, 30-150 min, and liquor-to-wood ratio 5 l/kg), resulting in a yield range of 36.1-61.4% (for reference cooks without pre-extraction 47.9-60.0%). It was observed that the pre-extraction under moderate conditions enhanced the dissolution especially of large-molar-mass lignin during cooking, and the total amount of the dissolved lignin was also higher than that removed from…
Extension of the MIRS computer package for the modeling of molecular spectra : from effective to full ab initio ro-vibrational hamiltonians in irredu…
2012
The MIRS software for the modeling of ro-vibrational spectra of polyatomic molecules was considerably extended and improved. The original version (Nikitin, et al. JQSRT, 2003, pp. 239--249) was especially designed for separate or simultaneous treatments of complex band systems of polyatomic molecules. It was set up in the frame of effective polyad models by using algorithms based on advanced group theory algebra to take full account of symmetry properties. It has been successfully used for predictions and data fitting (positions and intensities) of numerous spectra of symmetric and spherical top molecules within the vibration extrapolation scheme. The new version offers more advanced possib…
Data concerning the protein absorption and retention properties of xyloglucan-based hydrogel film
2018
In wound dressing applications, exudate absorption and retention are important properties. The data presented here assess the ability of the crosslinked xyloglucan-poly(vinyl alcohol) hydrogel films (XG-PVA), described in "Xyloglucan-based hydrogel films for wound dressing: Structure-property relationships" (Ajovalasit et al., 2018) [1] and "Biocompatibility, hemocompatibility and antimicrobial properties of xyloglucan-based hydrogel film for wound healing application" (Picone et al., 2019), to absorb and retain proteins. These properties were investigated by Comassie blue staining and electrophoresis of Fetal Serum Proteins. (C) 2018 The Authors. Published by Elsevier Inc. This is an open …
Gain, detuning, and radiation patterns of nanoparticle optical antennas
2008
International audience; For their capability to localize and redirect electromagnetic field, metal nanoparticles have been recently viewed as efficient nanoantenna operating in the optical regime. In this article, we experimentally investigated the optical responses of coupled gold antenna pairs and measured the critical parameters defining antenna characteristics: resonant frequencies and bandwidths, detuning and gains, and radiation patterns.
Macroscopic and Molecular Insights from CO Adsorption on NaY Zeolite: A Combined FTIR and Manometric Study
2012
International audience; This survey combines both quantitative and IR molecular descriptions and aims to provide new insights for the description of CO adsorption on NaY zeolite at 77 K. Quantitative measurements of the number of CO molecules trapped in the microporous super cage are compared to the corresponding IR spectra of CO as adsorbed species. We demonstrate that polycarbonyls formed during the completion of the accessible S-II Na+ coordinative vacancies result in the formation of mono-, di- and tricarbonyls but not consecutively. Quantitative analysis and measurements of the CO molecules that are adsorbed prove that polycarbonyls coexist with different proportions over the adsorptio…
Vibrational circular dichroism studies of exceptionally strong chirality inducers in liquid crystals.
2021
7,7′-Disubstituted 2,2′-methylenedioxy-1,1′-binaphthyls are highly efficient chirality inducers in nematic liquid crystals. The absolute configuration of these compounds is, however, hard to determine as they only crystallize as racemic mixtures. In this work a Vibrational Circular Dichroism (VCD) study is reported that provides an unambiguous determination of the absolute configuration of these compounds. An in-depth General Coupled Oscillator (GCO) analysis of the source of the VCD signal reveals that the unusual structure of these binaphthyl compounds inherently leads to strong and robust VCD bands. Combined with linear transit calculations, our VCD studies allow for the determination of…
Multi-directional vs. mono-directional multi-step strategies for single point incremental forming of non-axisymmetric components
2020
Abstract Multi Stage approach is used in Single Point Incremental Forming (SPIF) to overcome one of the main forming limitations, namely the maximum wall angle, characterizing the single stage process. In this paper, different multi-path strategies for the production of parts with flat edges are considered in order to evaluate the best solution in terms of feasibility and geometrical accuracy of the final part: A) mono-directional incremental draw angle; B) mono-directional incremental draw angle with increasing part side; C) Multi-directional approach with non-horizontal path planes. Strain evaluation by means of CGA (Circular Grid Analysis) and defect analysis have been carried out in ord…