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  • 1
    Electronic Resource
    Electronic Resource
    Detection and identification of free radicals in hydrocarbon pyrolysis by an iodine trapping method (1992)
    s.l. : American Chemical Society
    Industrial & engineering chemistry research 31 (1992), S. 29-37 
    Details
    ISSN: 1520-5045
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ie00001a005
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  • 2
    Electronic Resource
    Electronic Resource
    Oligomer formation in the chemical degradation of dextran (1982)
    Springer
    Polymer bulletin 6 (1982), S. 471-476 
    Details
    ISSN: 1436-2449
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Summary The production of oligomers — to a degree of polymerization 5 — during acid hydrolization of polymer dextrans was estimated quantitatively by a combined aqueous SEC and adsorption separation. It was found that the molar concentrations of the oligomers were higher for those with lower DP. This experimental result is in agreement with a degradation model, in which the molecular weight decreases with the power of 2/3 versus time, which has been proposed earlier.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00255808
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  • 3
    Electronic Resource
    Electronic Resource
    Thermal decomposition of 2, 3-dimethyl butane: Experiments and mechanistic modelling (1990)
    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 13 (1990), S. 241-251 
    Details
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Pyrolysis of 2,3-dimethyl butane (DMB) was carried out in a quartz flow reactor in the temperature range from 740 to 1032 K at normal pressure. The input concentration of DMB was 3.3 × 10-3 mol/1 using argon as diluent. Reaction time ranged between 3.1 and 3.9 s. The following products were analyzed by two-column gas chromatography: hydrogen, methane, ethene, propane, propene, butenes, butadiene, 2-methyl-2-butene, isoprene, benzene and toluene. Compared to thermal decomposition of n-hexane under similar experimental conditions, the main difference concerned the formation of ethylene, ethane and branched alkanes. A reaction model, based on elementary reactions, was developed to predict the experimental results and to verify our data basis of elementary reactions under different conditions. The model gives a quantitative description of the complex chemistry of the process. In addition, an algorithm is presented for model reduction.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/ceat.270130133
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  • 4
    Electronic Resource
    Electronic Resource
    On the kinetics and mechanism of thermal degradation of polystyrene (1982)
    New York : Wiley-Blackwell
    Die Makromolekulare Chemie 183 (1982), S. 1207-1218 
    Details
    ISSN: 0025-116X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The thermal degradation of polydisperse polystyrene samples with mol. wts. (M̄n) between 60000 and 22000 has been investigated at different temperatures under oxygen free conditions. Product analysis has been carried out by GPC. The experimental degradation could be simulated by a model consisting of scission and depolymerization. The dynamical behaviour of this model is expressed in a matrix from. The ratio of scission and depolymerization is constant for all polymers and different temperatures during degradation. Therefore, a master curve could be evaluated, which gives a general relation between the decrease of mol. wt. and the mass of volatiles. Finally a radical chain mechanism has been proposed in a lumped form which is consistent with the kinetic model and the experimental results.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/macp.1982.021830514
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  • 5
    Electronic Resource
    Electronic Resource
    On the kinetics and mechanism of thermal degradation of poly(p-methylstyrene) (1987)
    New York : Wiley-Blackwell
    Die Makromolekulare Chemie 188 (1987), S. 561-582 
    Details
    ISSN: 0025-116X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The thermal behavior of polydisperse poly(p-methylstyrene) (PPMS) samples with M̄w's of 99200 and 356000 g/mol was investigated under oxygen-free conditions at temperatures between 220 and 345°C. The reaction products were analysed by gel permeation chromatography (GPC), gas chromatography (GC) and swelling measurements. In the initial stage of the reaction crosslinking occurs; at higher temperatures the gel decomposes to polymers with a low degree of polymerization and to volatile products with molecular weights in the range up to trimers. A radical chain mechanism is proposed for degradation which explains the experimental results. On this basis a model is evaluated for gel formation, which is discussed in detail. The results of the present investigation are compared with the thermal degradation of polystyrene (PS) which is chemically similar but does not crosslink.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/macp.1987.021880309
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  • 6
    Electronic Resource
    Electronic Resource
    Computer aided chemical thermodynamics of gases and liquids - theory, models, programs. Von P. Benedek und F. Olti. Wiley, Chichester 1985. XXVII, 731 S., geb. £ 86.95.  -  ISBN 0-471-87825-1 (1987)
    Weinheim : Wiley-Blackwell
    Zeitschrift für die chemische Industrie 99 (1987), S. 725-726 
    Details
    ISSN: 0044-8249
    Keywords: Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/ange.19870990742
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  • 7
    Electronic Resource
    Electronic Resource
    Computersimulierung der Kinetik komplizierter GasphasenreaktionenProfessor Matthias Seefelder zum 60. Geburtstag gewidmet (1980)
    Weinheim : Wiley-Blackwell
    Zeitschrift für die chemische Industrie 92 (1980), S. 331-342 
    Details
    ISSN: 0044-8249
    Keywords: Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Moderne numerische Methoden und leistungsfähige Computer ermöglichen es, das zeitliche Verhalten chemischer Reaktionen zu simulieren. Dabei kann den Rechnungen eine größere Zahl von Elementarreaktionen zugrundegelegt werden. Für viele Reaktionen ist es sinnvoll, ein „Reaktionsmodell“ zu verwenden, das nur die Elementarreaktionen berücksichtigt, über die der größte Teil des Umsatzes verläuft. Ein solches Reaktionsmodell kann man durch Reduktion des vollständigen Satzes von Elementarreaktionen erhalten; man kann aber auch versuchen, es aus dem Reaktionsgeschehen analytisch zu entwickeln, und zwar am besten aus einem Zustand, in welchem das Reaktionsgeschehen noch einfach ist. Das ist im allgemeinen bei niedrigen Temperaturen und kleinen Umsätzen der Fall. Das Reaktionsmodell kann dann in die interessierenden Bereiche der Reaktionsvariablen (Temperatur, Zeit) hinein erweitert werden. Begleitende mathematische Simulationen geben wertvolle, häufig sogar entscheidende Hinweise. Diese Methoden werden u. a. auf die Pyrolyse von Ethylbenzol und n-Hexan sowie die CO-Oxidation angewendet. Dabei werden nicht nur Informationen über die Reaktionswege und über einzelne Elementarreaktionen gewonnen, sondern es gelingt auch abzuschätzen, ab wann eine Reaktion aus stabilen Reaktionszuständen auszubrechen droht. Ferner sind quantitative Angaben über den Einfluß einzelner Elementarreaktionen auf die Produktverteilung erhältlich. Die Sensitivitätsmatrix gibt auch Auskunft darüber, ob die Bestimmung von kinetischen Parametern einer Elementarreaktion aus kinetischen Daten der Gesamtreaktion prinzipiell möglich ist und mit welcher Genauigkeit die Geschwindigkeitskonstanten bekannt sein müssen, um eine Reaktion zu simulieren. Beide Aussagen sind für die Modellierung von chemischen Reaktionen wichtig.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/ange.19800920504
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  • 8
    Electronic Resource
    Electronic Resource
    Einfluß von Langkettenverzweigungen auf die Abbaukinetik von PolymerenProfessor Horst Pommer zum 60. Geburtstag gewidmet (1979)
    Weinheim : Wiley-Blackwell
    Zeitschrift für die chemische Industrie 91 (1979), S. 341-343 
    Details
    ISSN: 0044-8249
    Keywords: Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/ange.19790910425
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  • 9
    Electronic Resource
    Electronic Resource
    Computer Simulation of the Kinetics of Complicated Gas Phase ReactionsDedicated to Professor Matthias Seeflder on the occasion of his 60th birthday (1980)
    Weinheim : Wiley-Blackwell
    Angewandte Chemie International Edition in English 19 (1980), S. 333-343 
    Details
    ISSN: 0570-0833
    Keywords: Kinetics ; Gas-phase reactions ; Computer chemistry ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Modern digital methods and powerful computers make it possible to simulate the time behavior of chemical reactions. These calculations can be performed on systems containing an almost unlimited number of elementary reactions. Generally, however, the reaction models used should contain only those elementary reactions which describe the bulk of the conversion. Such a reaction model may be obtained by reduction of the complete set of elementary reactions. Another possibility is analysis of the chemical system starting from conditions ensuring a simple chemistry, which is generally the case at low temperatures and low conversions. The reaction model may then be extended into the range of the reaction variables (temperature, time) of interest. Mathematical simulations may be helpful during the development of the reaction model, and sometimes even decisive. These methods were applied to the pyrolysis of ethylbenzene and n-hexane, and to CO oxidation. They yield information on the reaction paths, the importance of particular elementary reactions, and reaction stability. Furthermore, quantitative data can be obtained concerning the influence of single elementary reactions on the product distribution. The sensitivity matrix shows, e.g., whether the determination of kinetic parameters of an elementary reaction from kinetic data of the overall reaction is possible in principle, and how high the accuracy of the rate constants should be for simulation of the reaction. Both results are important for modeling chemical reactions.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/anie.198003333
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  • 10
    Electronic Resource
    Electronic Resource
    Book Review: Computer-Aided Chemical Thermodynamics of Gases and Liquids - Theory, Models, Programs. By P. Benedek and F. Olti (1987)
    Weinheim : Wiley-Blackwell
    Angewandte Chemie International Edition in English 26 (1987), S. 1057-1057 
    Details
    ISSN: 0570-0833
    Keywords: Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/anie.198710571
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