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4.242 Aktuelle Fachpublikationen zum Thema temperature

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Fractional Electron Number, Temperature, and Perturbations in Chemical Reactions

04.05.2016 | Ramon Alain Miranda-Quintana; Paul Ayers, Physical Chemistry Chemical Physics, 2016

We provide a perspective on the role of non-integer electron number in the density functional theory approach to chemical reactivity (conceptual DFT), emphasizing that it is important to not only treat reagents as open systems, but also as non-isolated systems, in contact with their surroundings. ...


A study on corrosion and deactivation mechanism of Pt/Nb anodes in sodium chlorate containing solution using EIS

02.05.2016 | Author(s): M. Noori, K. Jafarzadeh, A. Kashi, G.H. Shirafkan, Journal of Electroanalytical Chemistry, 2016

Publication date: 1 July 2016 Source:Journal of Electroanalytical Chemistry, Volume 772 Author(s): M. Noori, K. Jafarzadeh, A. Kashi, G.H. Shirafkan Due to their high price, the corrosion resistance and lifetime of Pt/Nb anodes, which are usually manufactured through an ...


Measurements of slip velocity and frictional heating in the capillary extrusion of linear‐low density polyethylene with a fluoropolymer processing aid

30.04.2016 | H.S. Zamora‐López, J. Pérez‐González, B.M. Marín‐Santibáñez, J.F. Ortega‐Avila, Polymer Engineering and Science, 2016

The slip velocity and frictional or slip heating of linear‐low density polyethylene with a fluoropolymer processing aid in capillary flow were measured by rheo‐particle image velocimetry and thermal imaging. The pure polymer did not show slip before the stick‐slip regime but exhibited strong ...


Iron oxide nanotube film formed on carbon steel for photoelectrochemical water splitting: effect of annealing temperature

29.04.2016 | Hongda Deng, Mao‐Chia Huang, Wei‐Heng Weng, Jing‐Chie Lin, Surface and Interface Analysis, 2016

Carbon steels (CSs) were anodized in an ethylene glycol solution containing 3 vol.% H2O and 0.1 m NH4F to coat with nanotube arrays film. The as anodized nanotube arrays film were annealed in argon atmosphere at various temperatures ranging from 250 to 550 °C for 4 h. The morphology and crystal ...


Advanced CFD Analysis of an Air‐cooled PEM Fuel Cell Stack Predicting the Loss of Performance with Time

29.04.2016 | C. Fink, L. Karpenko‐Jereb, S. Ashton, Fuel Cells, 2016

Abstract The PEM fuel cell simulation package developed by AVL List GmbH is coupled with a semi‐empirical degradation model describing the dependency of material parameters on operating conditions. The CFD model calculates the 3D distributions of electronic/ionic potentials, velocity, ...


A Novel Molten Oxide Fuel Cell Concept

29.04.2016 | V. V. Belousov, S. V. Fedorov, Fuel Cells, 2016

Abstract We suggest a novel molten oxide fuel cell (MOFC) concept. The MOFC is based on the oxygen‐ion‐conducting solid/molten oxide electrolyte (so‐called liquid‐channel‐grain‐boundary‐structure, LGBS, material) consisting of TeO2 solid grains and chemically compatible TeO2+Te4Bi2O11 liquid ...


Engineered molecular chain ordering in SWNTs/PANI composite films for high‐performance organic thermoelectric materials

28.04.2016 | Liming Wang, Qin Yao, Juanxiu Xiao, Kaiyang Zeng, Sanyin Qu, Wei Shi, Qun Wang, Lidong Chen, Chemistry - An Asian Journal, 2016

Single‐walled carbon nanotubes (SWNTs)/polyaniline (PANI) composite films with enhanced thermoelectric (TE) properties were prepared by combining in‐situ polymerization and solution process. Conductive atomic force microscopy (C‐AFM) and XRD measurements confirmed that solution process and ...


Spectroscopic and positron lifetime measurements of hydrogenated single walled carbon nanohorns

27.04.2016 | Andrzej Budziak, Jerzy Dryzek, Ewa Juszyńska‐Gałązka, Jan Krawczyk, Magdalena Parlińska, Dominik Wójcik, Grzegorz Cios, physica status solidi (a), 2016

The hydrogenated and non‐hydrogenated single walled carbon nanohorns (SWCNH) are studied. SWCNH with the density of 0.75 g cm−3 showed the maximum differential hydrogen uptake capacities of 1.4 wt.% at 77 K. The temperature Fourier transform infrared (FT‐IR) spectra for non‐hydrogenated and ...


A New Allotrope of Nitrogen as High-Energy Density Material

27.04.2016 | Michael J. Greschner; Meng Zhang; Arnab Majumdar; Hanyu Liu; Feng Peng; John S. Tse; Yansun Yao, Journal of Physical Chemistry A, 2016

A new allotrope of nitrogen in which the atoms are connected to form a novel N6 molecule is predicted to exist at ambient conditions. The N6 molecule is a charge-transfer complex with an open-chain structure containing both single and triple bonds. The charge transfer induces ionic ...


Structural and Spectroscopic Characterization of Rhenium Complexes Containing Neutral, Monoanionic, and Dianionic Ligands of 2,2′-Bipyridines and 2,2′:6,2″-Terpyridines: An Experimental and Density Functional Theory (DFT)-Computational Study

26.04.2016 | Mei Wang; Thomas Weyhermüller; Eckhard Bill; Shengfa Ye; Karl Wieghardt, Inorganic Chemistry, 2016

The molecular and electronic structures of the members of the following electron transfer series have been determined by single crystal X-ray crystallography, temperature dependent magnetic susceptibility measurements, and UV–vis–NIR and electron paramagnetic resonance spectroscopy and verified ...


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