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1.
Lithium Insertion Mechanism in Iron-Based Oxyfluorides with Anionic Vacancies Probed by PDF Analysis
Dr. Damien Dambournet Dr. Karena W Chapman Dr. Mathieu Duttine Dr. Olaf Borkiewicz Dr. Peter J Chupas Dr. Henri Groult 《ChemistryOpen》2015,4(4):443-447
The mechanism of lithium insertion that occurs in an iron oxyfluoride sample with a hexagonal–tungsten–bronze (HTB)-type structure was investigated by the pair distribution function. This study reveals that upon lithiation, the HTB framework collapses to yield disordered rutile and rock salt phases followed by a conversion reaction of the fluoride phase toward lithium fluoride and nanometer-sized metallic iron. The occurrence of anionic vacancies in the pristine framework was shown to strongly impact the electrochemical activity, that is, the reversible capacity scales with the content of anionic vacancies. Similar to FeOF-type electrodes, upon de-lithiation, a disordered rutile phase forms, showing that the anionic chemistry dictates the atomic arrangement of the re-oxidized phase. Finally, it was shown that the nanoscaling and structural rearrangement induced by the conversion reaction allow the in situ formation of new electrode materials with enhanced electrochemical properties. 相似文献
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3.
Labour scheduling plays an important and critical role in Sainsburys day to day operations and profitability. The integrated
workforce management solution for Sainsburys is an intelligent solution for the operational deployment of human resources,
integrated business forecasting, generation and calculation of workload and staff scheduling. The workforce management technology
has provided Sainsburys with a fully web-based and centralised system that produces optimised schedules for all employees
satisfying the forecasted demand of work with granularity of fifteen minutes. The system is configured to respect all operational
and business requirements as well as employee contractual constraints. This paper introduces the workforce management solution
system designed, developed and implemented for Sainsburys. We concentrate on two modelling structures, namely the work pattern
model and optimisation model, and briefly discuss the optimisation process. 相似文献
4.
5.
Arielle Milliet Georges Sozzi Henri E. Audier 《Journal of mass spectrometry : JMS》1992,27(7):787-794
Radical cations derived from the ethers ROCH2CH2OR′ (R, R′ = H, CH3, C25) were studied, since β-distonic oxonium ions are often prepared from ionized ethers of glycol. The first step in the fragmentation is a 1,5-transfer of an α-hydrogen to oxygen of a terminal alkoxy group leading to a δ-distonic oxonium ion. This step is thermo-neutral and reversible in the ROCH2CH2OH radical cations and exothermic and irreversible in the dialkyl ether radical cations. Depending on R and R,′ these δ-distonic oxonium ions fragment by three reactions: the loss of an alcohol or a water molecule, the formation of a β-distonic oxonium ion ˙CH2CH2O(H)+R and a 1,4-H migration between carbon atoms. Competition between these processes is discussed. 相似文献
6.
The passive control of bluff body flows using porous media is investigated by means of the penalization method. This method is used to create intermediate porous media between solid obstacles and the fluid in order to modify the boundary layer behaviour. The study covers a wide range of two‐dimensional flows from low transitional flow to fully established turbulence by direct numerical simulation of incompressible Navier–Stokes equations. A parametric study is performed to illustrate the effect of the porous layer permeability and thickness on the passive control. The numerical results reveal the ability of porous media to both regularize the flow and to reduce the drag forces up to 30%. Copyright © 2004 John Wiley & Sons, Ltd. 相似文献
7.
Ammar R Ball RC Banerjee S Bhat PC Bosetti P Bromberg C Canough GE Coffin T Dershem TO Dixon RL Fenker HC Ganguli SN Gensch U Girtler P Goshaw AT Grard F Gurtu A Hamilton C Henri VP Hernandez JJ Hrubec J Iori M Jones LW Kuhn D Knauss D Leedom ID Legros P Lemonne J Leutz H Liu X Malhotra PK Marraffino JM Mendez GE Miller R Naumann T Nguyen A Nowak H Pilette P Poirier J Poppleton A Raghavan R Rasner K Reucroft S Robertson WJ Roe BP Roth A Senko M Struczinski W Subramanian A Touboul MC Vonck B 《Physical review letters》1988,61(19):2185-2188
8.
BIOLOGICAL ACTIVITIES OF PHTHALOCYANINES-X. SYNTHESES AND ANALYSES OF SULFONATED PHTHALOCYANINES 总被引:5,自引:0,他引:5
Hasrat Ali Réjean Langlois J. Richard Wagner Nicole Brasseur Benoit Paquette Johan E. VAN Lier 《Photochemistry and photobiology》1988,47(5):713-717
Abstract— Synthetic methods to obtain selectively sulfonated metallo phthalocyanines are compared. Both condensation and direct sulfonation procedures lead to mixtures of mono- to tetrasulfonated products which are resolved by reverse phase liquid chromatography in buffered aqueous-methanol. The proportion of sulfonated derivatives is examined as a function of the starting reagents in the case of the condensation method, and as a function of the temperature and reaction time in the case of the direct sulfonation procedure. The number of sulfonate groups per phthalocyanine molecule is determined by oxidative degradation of the phthalocyanine ring followed by quantitative chromatographic analysis of the sulfophthalamide and phthalamide fragments. 相似文献
9.
10.
Monot Frédéric Benoit Yves Ballerini Daniel Vandecasteele Jean-Paul 《Applied biochemistry and biotechnology》1990,(1):375-386
Utilization of lipases for synthesis of esters of hydrophilic polyols has been investigated. The choice of a suitable solvent
is crucial in this type of reaction. An interesting case is fatty acid esters from neopentylpolyols, such as trimethylolpropane,
which are of great interest as high temperature lubricants. Enzymatic synthesis of trimethylolpropane tricaprylate was studied
as an alternative to chemical manufacturing. Triester production occurred only if the water produced by esterification was
continuously removed from the medium. In these condition, kinetics of appearance and transformation of mono-, di- and triesters
were determined in order to define optimal conditions. 相似文献