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Structure prediction of transition-metal oxides using energy-minimization techniques

C. Richard A. Catlow、Alastair N. Cormack、F. Théobald1984-06-01Acta Crystallographica Section B Structural Science

Il est montre que des techniques de calcul basees sur la minimisation de l'energie cristalline par rapport aux coordonnees atomiques predisent correctement les structures cristallines complexes. Illustration par application a un certain nombre de composes Ti-O et V-O. Deux types de composes sont consideres dans cette…

Catalysis and Oxidation ReactionsThermal and Kinetic AnalysisX-ray Diffraction in Crystallography

XPS: Energy calibration of electron spectrometers. 2—Results of an interlaboratory comparison

M. T. Anthony、M. P. Seah1984-06-01Surface and Interface Analysis

Abstract An interlaboratory test of the NPL calibration values and methodology for the energy scale of XPS instruments, given in Part 1, has been completed. The NPL calibration values are given for the Cu 3p, Au 4f 7/2 , Ag 3d 5/2 , Cu LMM, Cu 2p 3/2 , and Ag MNN peaks for A1 and Mg Kα radiations to an accuracy of 20…

X-ray Spectroscopy and Fluorescence AnalysisIron oxide chemistry and applicationsElectron and X-Ray Spectroscopy Techniques

One‐Step Entry to N‐Cyanimines and to N,N′‐Dicyanoquinonediimines, a Novel Class of Electron‐Acceptors

Alexander Aumüller、Siegfried Hünig1984-06-01Angewandte Chemie International Edition in English

The first N,N′-dicyanoquinonediimines 3 could be synthesized by reaction of quinones 1 with 2 in the presence of TiCl4. Applications of 3 are discussed in the following article.

Organic and Molecular Conductors ResearchN-Heterocyclic Carbenes in Organic and Inorganic ChemistrySynthesis and Reactivity of Heterocycles

Functionalization of an amorphous ethylene‐propylene copolymer by free radical initiated grafting of unsaturated molecules

Giuseppe de Vito、N. Lanzetta、Giovanni Maglio 等 6 位作者1984-06-01Journal of Polymer Science Polymer Chemistry Edition

Abstract Functionalization of an amorphous ethylene‐propylene copolymer, EPM, has been performed by means of homogeneous grafting reactions of unsaturated molecules such as dibutylmaleate, diethylfumarate, itaconic anhydride, and maleic anhydride, initiated by free radicals. Dicumylperoxide and dibenzoylperoxide have…

Organic Electronics and PhotovoltaicsConducting polymers and applicationsSynthesis and properties of polymers

The Corrosion Inhibition of Metals by Molybdate Part I. Mild Steel

Michael Stranick1984-06-01CORROSION

The effect of molybdate ion on the corrosion of mild steel in an aggressive, low hardness water was investigated electrochemically. Studies were conducted with molybdate concentration ranging from 50 to 5000 mg/L in waters of pH 3, 5, 7, and 9. The effect of temperature and aeration was also investigated. In deaerated…

Corrosion Behavior and InhibitionHydrogen embrittlement and corrosion behaviors in metalsConcrete Corrosion and Durability

Kinetics and Mechanisms of High-Temperature Creep in Silicon Carbide: I, Reaction-Bonded

C.H. CARTER、R. F. Davis、J. Bentley1984-06-01Journal of the American Ceramic Society

The kinetic characteristics and the controlling mechanism of steady-state creep were determined for NC–430 reaction-bonded silicon carbide which was subjected to high temperatures (1848 to 1923 K) and constant compressive stresses (110 to 220 MN/m2). Both as-received and as-crept materials were studied extensively by…

Advanced ceramic materials synthesisAluminum Alloys Composites PropertiesThermal properties of materials

PREPARATION PROCESS AND CATALYTIC ACTIVITY OF CsxH3−xPW12O40

Shin Tatematsu、Takuo Hibi、Toshio Okuhara 等 4 位作者1984-06-01Chemistry Letters

Abstract When H3PW12O40 solution was titrated with Cs2CO3 solution, Cs2PW12O40 was precipitated at the Cs/anion ratio of 0.5–2, while Cs3HPW12O40 was formed at the ratio of 3. Based on these results, the peculiar variation with x and heat-treatment observed for catalytic activity of CsxH3−xPW12O40 has been explained.

Metal-Organic Frameworks: Synthesis and ApplicationsPolyoxometalates: Synthesis and ApplicationsPigment Synthesis and Properties

A small‐angle X‐ray scattering study of an aromatic polyimide

Thomas P. Russell1984-06-01Journal of Polymer Science Polymer Physics Edition

Abstract The morphology of isotropic films of poly[ N , N '‐bis(phenoxyphenyl)‐pyromellitimide] was investigated by means of small‐angle x‐ray scattering. A significantly different morphology was found to develop in these films as compared to that in films possessing as in‐plane molecular orientation. It was found tha…

Polymer Nanocomposites and PropertiesEpoxy Resin Curing ProcessesSynthesis and properties of polymers

Metallographic Differences Between Compacted Graphite Cast Iron and Vermicular Graphite Cast Iron / Unterschiede in der Gefügeausbildung von Gußeisen mit Kompaktgraphit und Gußeisen mit Graupelgraphit

J.M. Guilemany、N. Liorca1984-06-01Practical Metallography

Article Metallographic Differences Between Compacted Graphite Cast Iron and Vermicular Graphite Cast Iron / Unterschiede in der Gefügeausbildung von Gußeisen mit Kompaktgraphit und Gußeisen mit Graupelgraphit was published on June 1, 1984 in the journal Practical Metallography (volume 21, issue 6).

Metal Forming Simulation TechniquesAluminum Alloys Composites PropertiesMetal Alloys Wear and Properties

Optimization of nylon 6 reactors with end‐point constraints

Santosh K. Gupta、B. S. Damania、Anil Kumar1984-06-01Journal of Applied Polymer Science

Abstract Optimal temperature profiles for nylon 6 polymerization in plug–flow reactors have been obtained with end‐point constraints involving the degree of polymerization and the cyclic dimer concentration, using the most recent kinetic information. Computations suggest that the temperature at the feed end of the rea…

Polymer crystallization and propertiesAdvanced Polymer Synthesis and Characterizationbiodegradable polymer synthesis and properties

Testing for plateout using the torque rheometer

Paul J. Leskovyansky1984-06-01Journal of Vinyl Technology

Abstract The ability to predict the occurrence of plateout in PVC processing with a simple laboratory test which can be used to evaluate complete formulations before manufacture would be of significant benefit. Such a test is described and illustrated. A proposed mechanism for the induction of plateout based on attrac…

Polymer crystallization and propertiesRheology and Fluid Dynamics StudiesPolymer Science and PVC

Cavitating and Structured Jets for Mechanical Bits to Increase Drilling Rate—Part II: Experimental Results

Virgil E Johnson、Georges L. Chahine、W. T. Lindenmuth 等 6 位作者1984-06-01Journal of Energy Resources Technology

Analyses of self-excited, resonating jets have been corroborated by laboratory experiments. These structured jets achieved cavitation at greater ambient pressures and showed enhanced erosivity in comparison to the nonstructured jets from conventional drill bit nozzles.

Drilling and Well EngineeringUltrasound and Cavitation PhenomenaErosion and Abrasive Machining

A new mineral, scotlandite (PbSO3) from Leadhills, Scotland; the first naturally occurring sulphite

W. H. Paar、R. S. W. Braithwaite、T. T. Chen 等 4 位作者1984-06-01Mineralogical Magazine

Abstract Electron microprobe analysis of the new mineral scotlandite yielded Pb 72.27, S 9.95, corresponding to PbO 77.85, SO 2 19.88, sum 97.73 wt.%. Secondary ion mass spectrometry showed the absence of Li, Be, B, C, N, and F, but the presence of very small amounts of Br. Infrared spectroscopy showed that the minera…

Crystal Structures and PropertiesX-ray Diffraction in CrystallographyMineralogy and Gemology Studies

Determination of charge centroids in two-side metallized electrets

Heinz von Seggern、J. E. West、R. A. Kubli1984-06-01Review of Scientific Instruments

A method of determining the centroid of space in two-side metallized, thin polymer films is discussed. The method is a generalization of the well-known thermal pulse method and allows the determination of the mean depth without knowledge of the sample history. Results for electron-beam charged Teflon FEP films (25 μm…

Semiconductor materials and devicesHigh voltage insulation and dielectric phenomenaElectrostatic Discharge in Electronics

Kinetics of thermal decomposition of CuSO4 · 5H2O to CuO

Ahmed M. Gadalla1984-06-01International Journal of Chemical Kinetics

Abstract The effect of particle size, type of crucible, and heating rate on the thermal curves obtained simultaneously for CuSO 4 · 5H 2 O were discussed. The dissociation steps were confirmed. Thermogravimetric techniques for determining the rate‐controlling processes and kinetic parameters were applied for the dehyd…

Energetic Materials and CombustionThermal and Kinetic AnalysisChemical Thermodynamics and Molecular Structure

Thermoreversible gelation of poly(4-methyl-1-pentene) in cyclopentane and cyclohexane

Gérard Charlet、Hong Phuong Nguyen、Geneviève Delmas1984-06-01Macromolecules

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTThermoreversible gelation of poly(4-methyl-1-pentene) in cyclopentane and cyclohexaneGerard Charlet, Hong Phuong Nguyen, and Genevieve DelmasCite this: Macromolecules 1984, 17, 6, 1200–1208Publication Date (Print):June 1, 1984Publication History Published online1 May 2002Pub…

biodegradable polymer synthesis and propertiesSupramolecular Self-Assembly in MaterialsPhotopolymerization techniques and applications

Hypersensitivity in the 4f .fwdarw. 4f absorption spectra of neodymium(III) complexes in aqueous solution

Eileen M. Stephens、Karl A. Schoene、F. S. Richardson1984-06-01Inorganic Chemistry

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTHypersensitivity in the 4f .fwdarw. 4f absorption spectra of neodymium(III) complexes in aqueous solutionEileen M. Stephens, Karl Schoene, and F. S. RichardsonCite this: Inorg. Chem. 1984, 23, 12, 1641–1648Publication Date (Print):June 1, 1984Publication History Published on…

Lanthanide and Transition Metal ComplexesElectrochemical Analysis and ApplicationsChemical Thermodynamics and Molecular Structure

Enhancement of Smith–Purcell radiation from a grating with surface-plasmon excitation

S. L. Chuang、J. A. Kong1984-06-01Journal of the Optical Society of America A

The Smith–Purcell radiation from a charge moving across a penetrable grating is studied. We account for the finite permittivity and the absorption effect of the grating and find that enhancement of the radiation will occur near particular angles of observation at which the phase-matching condition for the excitation o…

Particle Accelerators and Free-Electron LasersGyrotron and Vacuum Electronics ResearchOptical Coatings and Gratings

Correlation between the cellulose fibres beating and the fixation of a soluble cationic polymer

J. Rouger、Pere Mutjé1984-06-01British Polymer Journal

Abstract The amount of cationic soluble polymer fixed by cellulose fibres, whose specific surface area is increased by beating, was determined by a colloidal titration method. A linear relationship between the polymer uptake and the surface density of carboxyl groups was obtained up to a beating degree of 54°SR. For h…

Hydrogels: synthesis, properties, applicationsAdvanced Cellulose Research StudiesBiopolymer Synthesis and Applications

Helical Twisting Power of Amino Acids in a Nematic Lyophase

H. Lee、M. M. Labes1984-06-01Molecular crystals and liquid crystals

The nematic lyophase of disodium cromoglycate dissolved in water can be made chiral by adding a wide variety of amino acids whose ability to induce helicity is systematically studied. Long, bulky side chains lead to small helical twisting power (HTP), whereas increased hydrophilicity of side chains leads to larger HTP…

Liquid Crystal Research AdvancementsSpectroscopy and Quantum Chemical StudiesMolecular spectroscopy and chirality