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Lattice gas experiments on a non-exothermic diffusion flame in a vortex field
V. Zehnlé, G. Searby
To cite this version:
V. Zehnlé, G. Searby. Lattice gas experiments on a non-exothermic diffusion flame in a vortex field.
Journal de Physique, 1989, 50 (9), pp.1083-1097. �10.1051/jphys:019890050090108300�. �jpa-00210979�
Lattice gas experiments on a non-exothermic diffusion flame in
a vortex field
V. Zehnlé and G. Searby
Laboratoire de Recherche en Combustion, Université de Provence, Centre de Saint-Jérôme, Service 252, F-13397 Marseille Cedex 13, France
(Reçu le 7 octobre 1988, accepté sous forme définitive le 3 janvier 1989)
Résumé.
2014Une limitation bien connue du gaz sur réseau provient du fait qu’il n’est pas invariant par transformation galiléenne. On peut remédier à ce problème, dans le cas d’un fluide
incompressible à une seule espèce, par une renormalisation du temps, de la pression et de la
viscosité. Malheureusement, cette transformation n’est plus possible dans le cas d’un fluide formé de plusieurs espèces de particules. Nous proposons ici une extension du modèle collisionnel de Frisch Hasslacher et Pomeau qui permet de restaurer une pseudo invariance galiléenne. Nous présentons ensuite une simulation bi-dimensionnelle d’une couche de cisaillement réactive dans la
configuration d’une flamme de diffusion soumise à l’instabilité de Kelvin-Helmholtz.
Abstract.
2014It is a known shortcoming of lattice gas models for fluid flow that they do not possess Galilean invariancy. In the case of a single component incompressible flow, this problem can be compensated by a suitable rescaling of time, viscosity and pressure. However this procedure
cannot be applied to a flow containing more than one species. We describe here an extension of the Frisch Hasslacher Pomeau collision model which restores a pseudo Galilean invariancy. We
then present a simulation of a 2-D reactive shear layer in the configuration of a diffusion flame
subjected to the Kelvin-Helmholtz instability.
Classification
Physics Abstracts
02.70
-47.20
-47.60
1. Introduction.
There is an increasing interest in the use of lattice gas models to simulate complex viscous
flows at moderate Mach and Reynolds numbers. The basic 2-D model introduced by Frisch
Hasslacher and Pomeau (F.H.P. model) [1] and a 3-D model [2] are now known and
demonstrated. However these models have an inherent weakness since they simulate a Navier
Stokes equation that is made non Galilean invariant by the presence of a density-dependent
factor, g (p ), in the non linear advection term. This leads to non physical simulations if one
tries to study flow containing two or more species. In the first part of this paper we discuss this lack of Galilean invariance and its consequences are illustrated by a simple numerical experiment. Following the ideas of d’Humières, Lallemand and Searby [3], we then show that
an extension of the original F.H.P. lattice gas model can restore a pseudo Galilean invariance,
at least in a reduced domain of density. In the second section of this paper, this new model is used and adapted to a system containing three kinds of particles, A, B and C, reacting
Article published online by EDP Sciences and available at http://dx.doi.org/10.1051/jphys:019890050090108300
together, i.e. A + B --. 2C. We then present results of a 2-D simulation of a reactive mixing layer which is submitted to the Kelvin-Helmholtz instability. The time-evolution of the large
scale vortex structures is examined and we comment on the influence of these structures on
the global reaction rate.
2. Galilean invariance.
2.1 POSITION OF THE PROBLEM. - The 2-D lattice gas is composed of particles of equal mass
and velocity modulus (m = 1, v = 1 ) constrained to move on a regular triangular lattice. The
particles propagate from a lattice site to one of the six nearest neighbours where they may
undergo a collision with other incoming particles. There is an exclusion principle between particles such that no two particles with the same velocity vector may occupy the same site.
The state of any lattice site is thus described by a set of six boolean variables indicating the
presence or absence of a particle for each of the six possible directions. A seventh variable is often introduced to permit the presence of rest (or immobile) particles. The particles may
eventually belong to one of two or more species which are distinguished by « colour tags ».
The lattice gas model has natural units in which the unit of length is the lattice spacing, the
unit bf time is the particle propagation time between lattice sites and the unit of mass is the
mass of a particle. These are the units that will be used in following. Comparison with real-
world quantities is most conveniently obtained by the use of non-dimensional numbers such as
the Reynolds number or the Mach number. The complete details of the F.H.P. lattice gas model will not be repeated here and the reader is referred to the papers of Frisch, Hasslacher
and Pomeau [1], Wolfram [4], Frisch et al. [5] or d’Humières and Lallemand [6]. It is possible
to derive the macroscopic conservation laws of the system from the microscopic laws. If p is an
ensemble averaged mass density per lattice cell, pu the total mass flux and c the concentration of one species, then in the limit of small Mach numbers, these conservation laws can be written [4] :
where D is a particle diffusion coefficient, v and e are the kinematic viscosities and w a source term which describes eventual « colour » reactions between particles. Equations (1.a) and (1.b) are the macroscopic conservation laws for mass and species respectively. They are a
direct consequence of the corresponding microscopic conservation laws built in to the collision rules. Equation (1.b) is the momemtum equation. In this small Mach number
approximation equation (1.b) is functionally identical to the usual Navier Stokes equation,
but the non-linear advection term contains an additional density dependent factor, g (p ), given by [5] :
where p m = ’-5i di - 6d is the density of moving particles (di, i = 1, ... 6, is the density per site
of particles which move in the ith direction of the lattice), which can be different from the
total density, p, in the case of lattice-gas models including rest (immobile) particles. For the 7- particle F.H.P. model, the maximum limiting value of g is 7/12, obtained at the zero density
limit.
The true Navier-Stokes equation is unchanged by a Galilean transformation
(x’ = x + uo t ), however the momentum equation for the lattice gas, equation (l.b) is not
Galilean invariant because of the presence of the factor g. The physical reason for this lack of invariance is related to the existence of a privileged reference frame : that of the hexagonal
lattice on which the particles are constrained to move. In the case of a simple fluid containing indistinguishable particles, the correct Navier Stokes equation can be recovered in the constant density incompressible limit. equation (l.b) can be divided by g (which is a constant
in this limit) and absorbed by rescaling time, pressure and viscosity but not velocity or length (t’ = t. g, P’ = P /g, v’ = v /g). In the incompressible limit equation (1.a) reduces to
V . u
=0 and is not affected by the rescaling. Unfortunately, the diffusion equation (l.c) does
not contain the factor g and so for lattice gases containing more than one species it is impossible to find a scaling that yields simultaneously the Navier Stokes equation and the
diffusion equation in their correct form. One physical consequence of this is that mass and momentum are not convected at the same speed.
To illustrate this problem we have made the following numerical experiment. In a square box of 256 x 256 sites, we have implemented a uniform horizontal flow of « blue » (or A) particles with velocity ux
=0.1 (uy = 0 ). In the middle of the box, a small vertical strip of
« blue » particles is replaced by an equal density strip of « red » (or B) particles having the
same horizontal velocity (ux
=0.1 ) and with a transverse velocity uy
=0.1. The four boundaries of the domain are made periodic. In a real-world experiment, both strips of
transverse velocity and concentration of B particles would be advected with the horizontal
velocity Ux and broaden in proportion to the shear viscosity and binary diffusion coefficients
respectively. In figure 1, we show lattice gas simulations in the situations where g ( p )
=0.7 (p = 4.3 in the model described below) and where g (p ) = - 0.5 (p = 6.5 ). It appears clearly
that these simulations lead to non physical results. The profiles of concentration and transverse velocity, which are initially coincident, are well separated after 1 000 iteration steps. Although the concentration strip is correctly advected with velocity ux, the transverse
velocity strip is advected with velocity g . ux. This effect is particularly spectacular when
g 0 since concentration and transverse velocity are convected in opposite directions as
depicted in figure 1b.
2.2 THE PSEUDO GALILEAN INVARIANCE.
-In the case of the standard F. H. P. model ,
involving one rest particle, it is found [6] that p = 7/6 p m and so equation (2) implies that Ig| :5 7/12 whatever the value of d. In order to restore Galilean invariance, it is necessary to
modify the collision rules so that g
=1. As pointed out by d’Humières, Lallemand and Searby [3], one way to increase g is to enhance the factor (P/Pm). This has led them to the idea of
allowing the existence of rest particles of mass 2 (total rest mass can be equal to 0, 1, 2 or 3).
This alone is not sufficient to obtain g (p )
=1 and so they also relaxed the constraint of semi- detailed balance and allowed collisions which increase the rest mass to occur with probability
one, while the ones that decrease it occur with a smaller probability.
In this paper, we present a version of the above collision rules which is extended to accommodate the presence of up to three different species and which includes all possible
mass and momentum conserving collisions that change the rest mass by one unit. We also consider that the lattice site to be occupied by nr
=0, 1, 2 or 3 rest particles of identical mass.
These rules maximise the interaction between the populations of mobile and rest particles and
thus ensure the fastest possible relaxation to local equilibrium. These optimal rules are
summarised in table 1 which gives the positions of particles before and after collision,
Fig. 1.
-The lack of Galilean invariance. (a) The initial configuration. (b) Left g
=0.7, right
g
= -0.5. Curves denoted by A correspond to the concentration profiles of « red » particles and curves
denoted by B correspond to the transverse velocity profile.
irrespective of the « colour » of the particule. The « colour » information is redistributed after the collision by choosing one configuration at random from the set of all possible
distributions. The destruction of rest particles occurs with probability x, y or z, depending on
the initial number of rest particles, np and their creation occurs with probability (1 - x), (1 - y) or ( 1 - z ) instead of one. The optimal values for x, y and z where found to be
respectively 0.5, 0.1 and 0.1. The corresponding values of g are given in figure 2. The factor g
has a maximum at d
=0.16 where it takes the satisfactory value g
=1.01. Since the first
derivative of g with density is zero for d
=0.16, g is not sensitive to local density fluctuations.
We may thus consider that the model is pseudo Galilean at this particular density. The values
of the binary diffusion coefficient, D, and the kinematic viscosity, v, have been determined experimentally from the time decay of an initial sinusoidal distribution of concentration and transverse velocity. Figure 3 gives the measured values as a function of the density per lattice link. For d
=0.16, we find D
=0.23 and v
=0.22, in natural lattice gas units.
In the following, we use the collision rules defined in table 1 and perform simulations with the « G.I » value d
=0.16. Technical details about the initialisation of the lattice are given in
the appendix.
Fig. 2. - g versus density. Full line : theoretical values, (3) experimental values obtained using the
collision rules of table I.
Fig. 3.
-Kinematic viscosity, v, and binary diffusion coefficient, D, as a function of particle density per lattice link.
3. Simulation of a reactive shear layer.
In the last decades, the mixing layer between two flows of different velocities has been widely
studied. Experimental investigations of non reactive shear flows have been carried out, for
instance, by Roshko [7] and by Winant and Browand [8]. They have shown the development
of large coherent vortex structures in the region of high velocity gradients and the merging of
these eddies into larger similar structures. This phenomenon has received much attention because of its frequent occurrence in many practical areas and is particularly important in the
domain of combustion since flames frequently develop in such flow fields. In the framework of different numerical schemes, many simulations of both reactive and non reactive flows,
have given useful insight into the dynamics and the structure of shear layers and into the interaction between vortices and flames (see Oran and Boris [9] and references therein).
Marble [10] has studied analytically the development of a diffusion flame in a vortex. He
showed that as the flame front rolls up in the vortex flow field, the reaction surface is
stretched, enhancing the reactant consumption rate. His theoretical analysis leads to an
analytical formula for the increase in reactant consumption rate as compared to the simple
planar diffusion flame.
Table 1.
-The complete collision table. Most o f the collisions have multiple output states. The left column of the distribution of mobile output particles corresponds to the left column of
number o f rest particles and to the left column of transition probabilities, and so on.
In the following, we report on a lattice gas experiment of a 2-D unsteady reactive shear
layer developing the Kelvin-Helmholtz instability. This experiment is initiated as shown in
figure 4. A 2-D box is filled with A and B particles lying respectively in the upper and lower
halves and having opposite velocities U and - U. Periodic boundary conditions are imposed
on the left and right boundaries of the domain. The density of moving particles per link is chosen to be d
=0.16 everywhere, in order to preserve Galilean invariance as discussed
previously. Particles fill the lattice according to equation (A.3).
Fig. 4.
-The initial configuration of the reactive shear-layer experiment.
At the interface between A and B, the irreversible reaction, A + B - 2C, occurs as soon as
A and B meet on the same site. To our knowledge, this is the first time that three different
species of particles have been used in a lattice gas simulation of unsteady flow. The technical details of the implementation of the algorithm will be published elsewhere.
This experiment corresponds to a diffusion flame in the following physical context :
- the reaction is irreversible and infinitely fast ;
-
no density change occurs with reactions (this implies that the reaction has no influence
on the dynamics of the flow) ;
-
density d
=0.16 and viscosity v
=0.22 ;
-