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  • 1
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 2356-2370 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Direct numerical simulations were used to study chemical selectivity in a series-parallel reaction scheme in a decaying, homogenous turbulent flow, where A, B, R, and S represent chemical species with R the principal product and S the secondary product. These simulations involve solution of the unsteady Navier-Stokes and mass conservation equations by a pseudo-spectral method in a 643 wavenumber domain. Reactants A and B were initially spatially segregated, corresponding to a nonpremixed system. The effect of turbulence Reynolds number and other physical parameters on selectivity was determined. Turbulence increases the formation of primary product R over byproduct S compared to the case of no fluid motion, as expected. It was also found that any mechanism promoting homogenization of reactants favors the formation of R, Whereas any mechanism sustaining segregation favors the formation of S.
    Additional Material: 19 Ill.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
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  • 2
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 43 (1997), S. 902-912 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Simple first-order closure models for covariances of concentration fluctuations, for use in modeling turbulent flow reactors, were tested by direct numerical simulations. Concentration covariances and other statistical functions were evaluated for a series parallel reaction scheme in decaying, homogeneous turbulent flow. The simulations involve solving the unsteady Navier-Stokes and mass conservation equations by a pseudo-spectral method in a 643 wavenumber domain, with initially segregated reactants, for an initial turbulence Reynolds number of 29.9. Simulation results show that covariances of concentration fluctuations normalized with respect to mean concentration values are almost constant and that the time dependence of concentration covariances can be estimated if the mean concentrations are known at any one time after the initial time. Predictions of the first-order closure models of Bourne and Toor, Brodkey and Lewalle, Li and Toor, and Dutta and Tarbell were compared to simulation results. While none of these closures are satisfactory for all the conditions tested, the Brodkey-Lewalle closure agrees best with the simulations.
    Additional Material: 13 Ill.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
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