A Robust Moment Method for Evaluation of the Disappearance Rate of Evaporating Sprays

In this paper we tackle a critical issue in the numerical modeling, by Eulerian moment methods, of polydisperse multiphase systems, constituted of dispersed particles or droplets, a general class of systems which include aerosols. Their modeling starts at a mesoscopic scale with an equation on the number density function NDF of particles/droplets which satisfies a population balance equation. (PBE, also called Williams equation in the spray community). In order to limit the computational cost, moment methods provide a system of conservation equation with an eventual closure problem which can be solved using quadrature methods in order to retrieve the unclosed terms from the considered set of moments. However, a drift velocity, that is, the rate of change due to continuous phenomena of the internal coordinate such as the size of the particles, has sometimes to be taken into account; it can be either positive like molecular growth, or negative such as for evaporation of droplets in aerosols or oxidation of soots. When negative, it leads to the disappearance of droplets/particles thus creating a negative flux at zero size. Its closure requires an evaluation of the reconstructed NDF at zero size from the knowledge of some moments. The nature of this information, pointwise in internal coordinate, and its influence on moment dynamics results in a difficulty from both a modeling and a numerical point of view. We obtain in the present contribution a comprehensive solution to this important issue. Since we introduce some new tools in order to resolve the flux evaluation, we also introduce a new Eulerian type of description which will combine both the flexibility of Eulerian models for which the size phase space is discretized into ``sections'' (i.e. size intervals) and the efficiency of Direct Quadrature Method of Moments (DQMOM). It yields a precise and stable description of moment dynamics with a minimal number of variables which should lead to a low computational cost in multi-dimensional configurations.

[1]  F. Laurent Analyse numérique d'une méthode multi-fluide Eulérienne pour la description de sprays qui s'évaporent , 2002 .

[2]  F. Laurent,et al.  Eulerian multi-fluid modeling for the numerical simulation of coalescence in polydisperse dense liquid sprays , 2004 .

[3]  K. Domelevo THE KINETIC-SECTIONAL APPROACH FOR NONCOLLIDING EVAPORATING SPRAYS , 2001 .

[4]  S. Chaisemartin,et al.  Pulsated free jets with polydisperse spray injection: Experiments and numerical simulations , 2009 .

[5]  Aldo Tagliani,et al.  Hausdorff moment problem and maximum entropy: A unified approach , 1999, Appl. Math. Comput..

[6]  Jean-Baptiste Mossa Extension polydisperse pour la description Euler-Euler des écoulements diphasiques réactifs , 2005 .

[7]  F. Williams Spray Combustion and Atomization , 1958 .

[8]  Marc Massot,et al.  A high order moment method simulating evaporation and advection of a polydisperse liquid spray , 2012, J. Comput. Phys..

[9]  Benoît Perthame,et al.  Kinetic formulation of conservation laws , 2002 .

[10]  Jouke Jan Hylkema Modélisation cinétique et simulation numérique d'un brouillard dense de gouttelettes : application aux propulseurs à poudre , 1999 .

[11]  Margaritis Kostoglou Extended cell average technique for the solution of coagulation equation. , 2007, Journal of colloid and interface science.

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

[13]  S. Chaisemartin,et al.  EULERIAN MULTI-FLUID MODELS : MODELING AND NUMERICAL METHODS , 2009 .

[14]  Guillaume Dufour,et al.  A second-order multi-fluid model for evaporating sprays , 2005 .

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

[16]  Holger Dette,et al.  The Theory of Canonical Moments with Applications in Statistics, Probability, and Analysis , 1997 .

[17]  Y. Tambour,et al.  On the origins of spray sectional conservation equations , 1993 .

[18]  D. E. Rosner,et al.  Bivariate Extension of the Quadrature Method of Moments for Modeling Simultaneous Coagulation and Sintering of Particle Populations. , 2001, Journal of colloid and interface science.

[19]  F. Bouchut ON ZERO PRESSURE GAS DYNAMICS , 1996 .

[20]  R. D. Vigil,et al.  Quadrature method of moments for aggregation-breakage processes. , 2003, Journal of colloid and interface science.

[21]  William H. Press,et al.  Numerical Recipes in Fortran 77 , 1992 .

[22]  Tron Solberg,et al.  A novel algorithm for solving population balance equations: the parallel parent and daughter classes. Derivation, analysis and testing , 2005 .

[23]  Marc Massot,et al.  Spray counterflow diffusion flames of heptane: Experiments and computations with detailed kinetics and transport , 1998 .

[24]  J. Dukowicz A particle-fluid numerical model for liquid sprays , 1980 .

[25]  F. Laurent,et al.  Multi-fluid modelling of laminar polydisperse spray flames: origin, assumptions and comparison of sectional and sampling methods , 2001 .

[26]  Rafail V. Abramov,et al.  A practical computational framework for the multidimensional moment-constrained maximum entropy principle , 2006 .

[28]  William H. Press,et al.  Numerical Recipes: FORTRAN , 1988 .

[29]  G. Bird Molecular Gas Dynamics and the Direct Simulation of Gas Flows , 1994 .

[30]  Y. Tambour,et al.  An Opposed Jet Quasi-Monodisperse Spray Diffusion Flame , 1986 .

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

[32]  Marc Massot,et al.  Evaluation of Eulerian multi-fluid versus Lagrangian methods for ejection of polydisperse evaporating sprays by vortices. , 2007 .

[33]  Vanni,et al.  Approximate Population Balance Equations for Aggregation-Breakage Processes. , 2000, Journal of colloid and interface science.

[34]  M. Massot Eulerian Multi-Fluid Models for Polydisperse Evaporating Sprays , 2007 .

[35]  Doraiswami Ramkrishna,et al.  Population Balances: Theory and Applications to Particulate Systems in Engineering , 2000 .

[36]  F. James,et al.  One-dimensional transport equations with discontinuous coefficients , 1998 .

[37]  Frédérique Laurent,et al.  NUMERICAL ANALYSIS OF EULERIAN MULTI-FLUID MODELS IN THE CONTEXT OF KINETIC FORMULATIONS FOR DILUTE EVAPORATING SPRAYS , 2006 .

[38]  R. LeVeque Numerical methods for conservation laws , 1990 .

[39]  J. Dormand,et al.  A family of embedded Runge-Kutta formulae , 1980 .

[40]  L. Mead,et al.  Maximum entropy in the problem of moments , 1984 .

[41]  Marc Massot,et al.  Numerical simulation of spray coalescence in an Eulerian framework: Direct quadrature method of moments and multi-fluid method , 2007, J. Comput. Phys..