A quadrature-based conditional moment closure for mixing-sensitive reactions

•A novel solution algorithm for conditional moment closure is proposed (SA CMC).•The need for an additional grid in CMC is eliminated•The solution algortihm is tested for pure-mixing and mixing-sensitive reactions.•SA-CMC is an extension of two-environment probability density function methods. A nov...

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Vydáno v:Chemical engineering science Ročník 226; s. 115831
Hlavní autoři: Ilgun, A.D., Passalacqua, A., Fox, R.O.
Médium: Journal Article
Jazyk:angličtina
Vydáno: Elsevier Ltd 23.11.2020
Témata:
Conditional moment closure
Mixing-sensitive reactions
Quadrature based-solution algorithm
Turbulent mixing
Conditional moment closure
Mixing-sensitive reactions
Quadrature based-solution algorithm
Turbulent mixing
ISSN:0009-2509, 1873-4405
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Shrnutí:•A novel solution algorithm for conditional moment closure is proposed (SA CMC).•The need for an additional grid in CMC is eliminated•The solution algortihm is tested for pure-mixing and mixing-sensitive reactions.•SA-CMC is an extension of two-environment probability density function methods. A novel algorithm consisting of a quadrature-based semi-analytical solution to the conditional moment closure (CMC) is developed for mixing-sensitive reactions in turbulent flows. When applying the proposed algorithm, the additional grid in mixture-fraction phase space used in CMC codes is eliminated, and at most ten quadrature nodes are needed to model mixing-sensitive turbulent reacting flows. In this work, the mixture-fraction probability density function (PDF) is assumed to be a β-PDF, which is the weight function for the Gauss-Jacobi quadrature rule. The conditional moments of reacting species are determined from unconditional moments that are first order with respect to the species and higher order with respect to mixture fraction. Here, the focus is on the efficient treatment of the molecular-mixing step by using a semi-analytical solution in the form of a Jacobi polynomial expansion. The application of the algorithm is demonstrated considering mixing-sensitive competitive-consecutive and parallel reactions in a statistically homogeneous chemical reactor.
ISSN:0009-2509
1873-4405
DOI:10.1016/j.ces.2020.115831