Numerical investigation of DQMoM-IEM as a turbulent reaction closure

This paper investigates a mean reaction rate closure for turbulent reacting flows called the Direct Quadrature Method of Moments using the Interaction by Exchange with the Mean micromixing model (DQMoM-IEM). The method was first introduced for reacting flows by Fox (Computational Models for Turbulent Reacting Flows, Cambridge University Press, 2003). We present a systematic study that considers several important new aspects of the method. In particular we introduce a new analytic expression for the DQMoM-IEM source terms. We present a rigourous numerical investigation and discuss problems of boundedness and singularity in detail. We introduce a filter function to overcome these issues in the general case and present analytic integrals for special cases of specific terms. We extend the methodology to take advantage of these developments and show details of the implementation in a commercial computational fluid dynamics (CFD) code. We present an extensive set of numerical experiments and validation. The method is proven for a problem known from the literature which includes an isothermal dimerisation process. Experimental and transported probability density function (PDF) data compare reasonably well. The method is discussed critically and areas for further research are suggested to make the method more practical.

[1]  Antonello Barresi,et al.  CFD Modelling of Nano-Particle Precipitation in Confined Impinging Jet Reactors , 2006 .

[2]  F. Williams,et al.  Turbulent Reacting Flows , 1981 .

[3]  Robert McGraw,et al.  Description of Aerosol Dynamics by the Quadrature Method of Moments , 1997 .

[4]  A. Garmory MICROMIXING EFFECTS IN ATMOSPHERIC REACTING FLOWS , 2007 .

[5]  Rodney O. Fox,et al.  Multi-environment probability density function method for modelling turbulent combustion using realistic chemical kinetics , 2007 .

[6]  T. Poinsot,et al.  Theoretical and numerical combustion , 2001 .

[7]  Rodney O. Fox,et al.  Segregation in polydisperse fluidized beds : Validation of a multi-fluid model , 2008 .

[8]  Heinz Pitsch,et al.  Eulerian transported probability density function sub-filter model for large-eddy simulations of turbulent combustion , 2006 .

[9]  E. Hairer,et al.  Solving Ordinary Differential Equations II , 2010 .

[10]  Markus Kraft,et al.  Some analytic solutions for stochastic reactor models based on the joint composition PDF , 1999 .

[11]  Antonello Barresi,et al.  Implementation of the population balance equation in CFD codes for modelling soot formation in turbulent flames , 2006 .

[12]  R. Fox,et al.  Application of the direct quadrature method of moments to polydisperse gas–solid fluidized beds , 2004 .

[13]  Rodney O. Fox,et al.  A Finite-Mode PDF Model for Turbulent Reacting Flows , 2002 .

[14]  G. Strang On the Construction and Comparison of Difference Schemes , 1968 .

[15]  Rodney O. Fox,et al.  Comparison of micromixing models for CFD simulation of nanoparticle formation , 2004 .

[16]  Ying Liu,et al.  CFD predictions for chemical processing in a confined impinging‐jets reactor , 2006 .

[17]  R. Fox Computational Models for Turbulent Reacting Flows , 2003 .

[18]  Daniele Marchisio,et al.  Solution of population balance equations using the direct quadrature method of moments , 2005 .

[19]  Amit Bhave,et al.  Partially Stirred Reactor Model: Analytical Solutions and Numerical Convergence Study of a PDF/Monte Carlo Method , 2004, SIAM J. Sci. Comput..

[20]  Rodney O. Fox,et al.  PDF simulation of a turbulent series-parallel reaction in an axisymmetric reactor , 1994 .

[21]  Rodney O. Fox,et al.  Computational Models for Turbulent Reacting Flows: PDF methods for turbulent reacting flows , 2003 .

[22]  Antonello Barresi,et al.  CFD modelling and scale-up of Confined Impinging Jet Reactors , 2007 .

[23]  S. Pope PDF methods for turbulent reactive flows , 1985 .

[24]  E. Hairer,et al.  Solving Ordinary Differential Equations II: Stiff and Differential-Algebraic Problems , 2010 .

[25]  Antonello Barresi,et al.  Validation of bivariate DQMOM for nanoparticle processes simulation , 2007 .

[26]  Epaminondas Mastorakos,et al.  Micromixing effects in a reacting plume by the Stochastic Fields method , 2006 .

[27]  K. Li,et al.  Turbulent reactive mixing with a series‐parallel reaction: Effect of mixing on yield , 1986 .