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  • 1
    Electronic Resource
    Electronic Resource
    Weinheim [u.a.] : Wiley-Blackwell
    Materials and Corrosion/Werkstoffe und Korrosion 45 (1994), S. 21-28 
    ISSN: 0947-5117
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Description / Table of Contents: Microbial deterioration of materials - fundamentals: Mathematical modelling of destruction mechanismsModern trends in materials science require novel methods and strategies. The general aim is to describe by models the reactions occurring at the surface and within a solid. At the present time, however, it is only possible to derive, from the experimental work, mathematical relations, and this is not sufficient for a prediction of materials behaviour. On the basis of the three steps involved in the description of materials behaviour, i. e. rules of thumb, statistical evaluation of experimental data (including models developed for the presentation of reaction kinetics), and development of physical models (among others Monte Carlo simulations), these three steps and, in particular, the preliminary step of biocorrosion, i. e. biofilm formation, are discussed. Only physical models allow a prediction of reactions, although a prediction independent from experiment is not possible because of the unknown distributions of the acting energies and their possible fluctuations. Beyond that an outline is given of the description of corrosion reactions and crack propagation. A general problem, in particular in connection with biological reactions, is the lack of interdisciplinary education of scientists and engineers.
    Notes: Die moderne Entwicklung der Werkstoffwissenschaft bedingt einen Wandel in den Methoden und Strategien. Es wird angestrebt, die an und im Festkörper ablaufenden Reaktionen in Form von Modellen zu beschreiben. Gegenwärtig gelingt es aber nur, aus experimentellen Untersuchungen mathematische Zusammenhänge abzuleiten, womit eine Vorhersage des Werkstoffverhaltens mit theoretischen Mitteln nicht gelingt.Ausgehend von den drei Erkenntnisstufen zur Beschreibung des Werkstoffverhaltens, den Faustregeln, einer Auswertung von Experimenten mit statistischen Methoden, hierzu gehören auch reaktionskinetische Modellansätze, und der Entwicklung physikalischer Modelle, u.a. Monte-Carlo-Simulationen, werden diese insbesondere für die „Vorstufe“ der biokorrosiven Schädigung vorgestellt, der Biofilmbildng. Nur physikalische Modelle ermöglichen die „Voraussage“ von Reaktionsabläufen, wobei infolge der Unkenntnis der Verteilungen für die wirkenden Energien und deren möglichen Fluktuationen eine vom Experiment getrennte Voraussage nicht möglich ist.In einem Überblick wird darüber hinaus auch auf die Beschreibung von Korrosionsreaktionen und das Rißwachstum eingegangen. Ein generelles Problem, insbesondere im Zusammenhang mit biologischen Reaktionsabläufen, stellt die nicht fachgrenzenübergreifende Ausbildung von Naturwissenschaftlern and Ingenieuren dar.
    Additional Material: 5 Ill.
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  • 2
    Electronic Resource
    Electronic Resource
    Weinheim [u.a.] : Wiley-Blackwell
    Materials and Corrosion/Werkstoffe und Korrosion 47 (1996), S. 716-717 
    ISSN: 0947-5117
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
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  • 3
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    Surface and Interface Analysis 12 (1988), S. 407-411 
    ISSN: 0142-2421
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Physics
    Notes: The capability of optical measurements to elucidate adsorption as well as absorption phenomena is demonstrated by using oxygen interaction with copper films as an example. The films (thickness about 30 nm) deposited under UHV conditions on glass substrates show a polycrystalline structure with a marked (111) fibre texture. Gas doses were provided at 460 K while recording simultaneously the ellipsometric response (λ = 1152 nm) and the electrical resistivity. The optical properties of the clean films correspond to well-known bulk data. O2 adsorption causes the ellipsometric angles σΔ and σψ to change by 0.05° and 0.02°, respectively. At pressures of about 1 Pa oxygen begins to penetrate into the interior of the sample which manifests itself in a further drastic increase of σΔ = 30° and σψ = 5°.
    Additional Material: 6 Ill.
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  • 4
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Chemie Ingenieur Technik - CIT 65 (1993), S. 1113-1114 
    ISSN: 0009-286X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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  • 5
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Chemie Ingenieur Technik - CIT 71 (1999), S. 1015-1015 
    ISSN: 0009-286X
    Keywords: Chemistry ; Industrial Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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  • 6
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 11 (1976), S. 304-308 
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The mass spectrometric fragmentation products of the four isomeric monophenyl amino oxadiazoles, 2-amino-5-phenyl-l, 3,4-oxadiazole, 3-amino-5-phenyl-l, 2, 4-oxadiazole, 5-amino-3 phenyl-l, 2, 4-oxadiazole and 3-amino-4-phenyl-1, 2,5-oxadiazole, differ with respect to their fragment composition and abundance in such a way that isomers can easily be distinguished and determined. The most important fragmentation patterns giving characteristic ions for structure identification are discussed.
    Notes: Die massenspektrometrischen Zerfallsprodukte der vier isomeren phenyl-substituierten Amino-oxadiazole, 2-Amino-5-phenyl-l.3.4-oxadiazol, 3-Amino-5-phenyl-l.2.4-oxadiazol, 5-Amino-3-phenyl-l.2.4-oxadiazol und 3-Amino-4-phenyl-l.2.5.oxadiazol, unterscheiden sich sowohl hinsichtlich der Art der Fragmentzusamrnensetzung als auch der Signalintensitäten so charakteristisch, daß eine eindeutige Differenzierung von Ring- und Stellungsisomeren moglich ist. Die wichtgsten Fragmentierungswege, die zu den strukturspezifischen Ionen führen, werden diskutiert.
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  • 7
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Transition Metal Peroxofluoro Complexes. VIII. Crystal Structure of K2Ti(O2)F4. · 1/2H2O. Structural Comparison and Spectroscopic Data of the Compounds K2Ti(O)2F4 · xH2O (x = 1, 1/2, 0)The yellow hemihydrat K2Ti(O2)F4 · 1/2 H2O crystallizes monoclinic (space group C2/c, a = 1680.5(6), b = 653.2(1), c = 1224.3(4) pm, β = 115.8(1)°, Z = 8, Rw = 0.038 for 1113 independent reflections). It contains isolated, dinuclear, di(μ-fluoro)-bridged [Ti2(O2)2F8]4- anions, as known by orange coloured K2Ti(O2)F4 · H2O [1]. They are arranged in layers which are parallel to the (100) plane, whereas they are linked by hydrogen bonds forming infinite chains in K2Ti(O2)F4 · 1/2 H2O. Anhydrous K2Ti(O2)F4 - even yellow - crystallizes monoclinic with a = 828.9(2), b = 1107.6(2), c = 1303.9(3) pm, β = 92.29(2)°. I.r. and Raman spectra of all compounds are listed and interpreted. On the basis of the UV spectra the different colours of some titaniumperoxofluoro compounds are discussed in relation to the titanium-peroxid bonding.
    Notes: Das gelbe Hemihydrat K2Ti(O2)F4 · 1/2H2O kristallisiert monoklin (Raumgruppe C2/c, a = 1680,5(6), b = 653,2(1), c = 1224,3(4) pm, β = 115,8(1)°, Z = 8, Rw = 0,038 für 1113 unabhängige Reflexe). Es enthält isolierte, zweikernige, di(μ-fluoro)-verbrückte [Ti2(O2)2F8]4--Anionen, wie sie vom orangefarbenen K2Ti(O2)F4 · H2O her schon bekannt sind [1]. Während sie dort jedoch über Wasserstoffbrücken zu Ketten verknüpft sind, sind sie im K2Ti(O2)F4 · 1/2 H2O in Schichten parallel zur (100) Ebene angeordnet. Das ebenfalls gelbe wasserfreie K2Ti(O2)F4 kristallisiert monoklin mit den Gitterkonstanten a = 828,9(2), b = 1107,6(2), c = 1303,9(3) pm, β = 92,29(2)°.IR- und Raman-Spektren aller drei Verbindungen K2Ti(O2)F4 · xH2O (x = 0, 1/2, 1) werden aufgeführt und interpretiert. Auf der Grundlage der UV-Spektren werden die unterschiedlichen Farben verschiedener Titanperoxofluoroverbindungen im Zusammenhang mit ihren Bindungsverhältnissen diskutiert.
    Additional Material: 3 Ill.
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  • 8
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 575 (1989), S. 197-201 
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Transition Metal Peroxofluoro Complexes. IX. Crystal Structure of Ba3[Ti(O2)F5]2 · 2 H2OThe pale yellow hydrat Ba3[Ti(O2)F5]2 · 2 H2O crystallizes tetragonal (space group P42/mbc, a = 1 248.5(3), c = 812.2(2) pm; Z = 4; R = 0.026 for 404 independent reflections). It contains isolated [Ti(O2)F5]3- anions. Thermal decomposition leads directly to α-Ba3Ti2O2F10, which is isotypic to α-Ba3Al2F12.
    Notes: Das hellgelbe Hydrat Ba3[Ti(O2)F5]2 · 2 H2O kristallisiert tetragonal (Raumgruppe P42/mbc, a = 1 248,5(3), c = 812,2(2) pm; Z = 4; R = 0,026 für 404 unabhängige Reflexe) und enthält isolierte [Ti(O2)F5]3--Anionen. Die thermische Zersetzung führt direkt zum α-Ba3Ti2O2F10, das isotyp zum α-Ba3Al2F12 kristallisiert.
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  • 9
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Transition Metal Peroxofluoro Complexes. VI. Preparation, Vibrational Spectra, and Crystal Structure of (NH4)3Zr(O2)F5. A New Disorder Model for Ammonium Peroxopentafluoro Metallates(IV) with Elpasolite Structure(NH4)3Zr(O2)F5 has been prepared from solution and characterized by the i.r. and raman spectra. The disordered crystal structure was determined: space group Fm3m, Z = 4, a = 944.01(8) pm, Rw = 0.014 for 162 reflections. A new disorder model - revised with respect to former proposals made for the isotypic Ti compound - allows now to derive unambiguously the geometry of the complex anions: d(O—O) = 157(1), d(Zr—O) = 206.3(9), d(Zr—F), average 203.8 pm. An analogous treatment of the disorder for (NH4)3Ti(O2)F5 also led to a significant improvement of the results (Rw = 0.019, d(O—O) = 151(2), d(Ti—O) = 197(1), d(Ti—F), average 191.6 pm).
    Notes: (NH4)3Zr(O2)F5 wurde aus Lösung dargestellt, IR- und Raman-spektroskopisch charakterisiert, und die fehlgeordnete Kristallstruktur bestimmt: Raumgruppe Fm3m, a = 944,01(8) pm, Z = 4, Rw = 0,014 für 162 Reflexe. Ein neues, gegenüber früheren Vorschlägen für die isotype Ti-Verbindung verbessertes Fehlordnungsmodell erlaubt nun die widerspruchsfreie Ableitung der Gestalt der komplexen Anionen: d(O—O) = 157(1), d(Zr—O) = 206,3(9), d(Zr—F) = 203,8 pm (gemittelt). Analoge Behandlung der Fehlordnung führte auch bei (NH4)3Ti(O2)F5 zu einer deutlichen Verbesserung früherer Resultate (Rw = 0,019, d(O—O) = 151(2), d(Ti—O) = 197(1), d(Ti—F) gemittelt 191,6 pm).
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  • 10
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Structures of Cesium-containing Fluorides. VIII. Cs7Ni4F15 and Cs7Co4F15: Crystal Structure Determination of the Hitherto Cesium-richest Compounds in the Corresponding Systems CsF/MF2.The only nickel-containing phase we could identify after solid state reaction 2 CsF + NiF2 was the compound Cs7Ni4F15. The single crystal structure determination of this monoclinic fluoride (and its cobalt analog Cs7Co4F15) yielded a = 787.2 (788.3), b = 1089.7 (1096.6), c = 1149.5 (1164.9) pm, β = 92.74 (92.59)°, space group P21/c, Z = 2, Rg = 0.045 (0.058) for 2543 (2716) independent reflections. The resulting strongly puckered layer structure rather than of single octahedra consists of face-sharing M2F9 units, which are connected via the half of their remaining corners. The M—F distances vary from 195.1 to 212.0 (196.7 to 217.0) pm and show unusual high mean values of 203.7 (206.5) pm. Data for comparison and further details are discussed.
    Notes: Als einzige nickelhaltige Phase bei der Festkörperreaktion 2 CsF + NiF2 konnten wir die Verbindung Cs7Ni4F15 identifizieren. Die Einkristallstrukturbestimmung an diesem monoklinen Fluorid (und der analogen Cobaltverbindung Cs7Co4F15) ergab: a = 787,2 (788,3), b = 1089,7 (1096,6), c = 1149,5 (1164,9) pm, β = 92,74 (92,59)°, Raumgruppe P21/c, Z = 2, Rg = 0,045 (0,058) für 2543 (2716) unabhängige Reflexe. Es liegt eine stark aufgerauhte Schichtstruktur vor, in der statt Einzeloktaedern nur flächenverknüpfte M2F9-Einheiten vorkommen, die über die Hälfte der verbleibenden Ecken miteinander verbunden sind. Die M—F-Abstände variieren von 195,1 bis 212,0 (196,7 bis 217,0) pm und sind im Mittel mit 203,7 (206,5) pm anomal groß. Vergleichsdaten und weitere Einzelheiten werden diskutiert.
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