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  • 1
    Electronic Resource
    Electronic Resource
    Chemical nonequilibrium effects in hydrogen-air laminar jet diffusion flames (1977)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 81 (1977), S. 2534-2542 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100540a035
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Surface chemkin: A general formalism and software for analyzing heterogeneous chemical kinetics at a gas-surface interface (1991)
    New York, NY : Wiley-Blackwell
    International Journal of Chemical Kinetics 23 (1991), S. 1111-1128 
    Details
    ISSN: 0538-8066
    Keywords: Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This article describes a general kinetic formalism for treating the details of heterogeneous reactions at a gas-solid interface. We develop a nomenclature for treating reactions between the gas phase and surface species residing on any number of surface site types and bulk-phase species residing in bulk-phase mixtures or in pure bulk phases. The rate of progress of surface reactions follows the law of mass-action. We discuss the relationship between macroscopic conservation laws for mass and energy and the microscopic surface reaction rates as they might appear in boundary conditions for a chemically reacting flow. The formalism developed has been implemented in a general package of Fortran computer codes for the evaluation of complex surface-reaction kinetics called Surface Chemkin.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/kin.550231205
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Modeling the thermal DENOx process in flow reactors. Surface effects and Nitrous Oxide formation (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Chemical Kinetics 26 (1994), S. 421-436 
    Details
    ISSN: 0538-8066
    Keywords: Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We have investigated the impact of surface reactions such as NH3 decomposition and radical adsorption on quartz flow reactor data for Thermal DeNOx using a model that accounts for surface chemistry as well as molecular transport. Our calculations support experimental observations that surface effects are not important for experiments carried out in low surface to volume quartz reactors. The reaction mechanism for Thermal DeNOx has been revised in order to reflect recent experimental results. Among the important changes are a smaller chain branching ratio for the NH2 + NO reaction and a shorter NNH lifetime than previously used in modeling. The revised mechanism has been tested against a range of experimental flow reactor data for Thermal DeNOx with reasonable results. The formation of N2O in Thermal DeNOx has been modelled and calculations show good agreement with experimental data. The important reactions in formation and destruction of N2O have been identified. Our calculations indicate that N2O is formed primarily from the reaction between NH and NO, even though the NH2 + NO2 reaction possibly contributes at lower temperatures. At higher temperatures N2O concentrations are limited by thermal dissociation of N2O and by reaction with radicals, primarily OH. © 1994 John Wiley & Sons, Inc.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/kin.550260405
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  • 4
    Electronic Resource
    Electronic Resource
    Sensitivity analysis in chemical kinetics: Recent developments and computational comparisons (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Chemical Kinetics 16 (1984), S. 559-578 
    Details
    ISSN: 0538-8066
    Keywords: Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The advantages and disadvantages of various methods of parametric sensitivity analysis in chemical kinetic modeling are discussed. Particular attention is given to estimates of computational labor for realistic problems, and quantitative comparisons are made utilizing a 52-reaction, 11-species CO oxidation mechanism. The authors′ CHEMSEN/AIM program compares favorably to other techniques in many circumstances, and provides the additional convenience of accepting input information in familiar chemical notation. This paper also reviews recent developments in theory of sensitivity analysis, relevant to chemical kinetic modeling.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/kin.550160506
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    Paper (German National Licenses)
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