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MFIX Equations 2012-1 (January 2012)

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Summary of MFIX Equations


Refer to this document as:
S. Benyahia, M. Syamlal, T.J. OBrien, Summary of MFIX Equations 2012-1, From
URL https://mfix.netl.doe.gov/documentation/MFIXEquations2012-1.pdf , January 2012.

Modifications to the previous version


https://mfix.netl.doe.gov/documentation/MFIXEquations2005-4-4.pdf
Added note stating that all transport equations are solved in non-conservative form.

Table of Contents
A. Governing equations ................................................................................................................................. 2
B. Kinetic Theory........................................................................................................................................... 3
Constitutive equations................................................................................................................................ 3
Algebraic granular energy equation ........................................................................................................... 5
C. Frictional Stress Models ............................................................................................................................ 5
Schaeffer model ......................................................................................................................................... 5
Princeton model ......................................................................................................................................... 6
D. Interface Momentum Transfer .................................................................................................................. 7
Wen-Yu drag correlation ........................................................................................................................... 7
Gidaspow drag correlation ......................................................................................................................... 8
Hill-Koch-Ladd drag correlation ............................................................................................................... 8
Syamlal and OBrien.................................................................................................................................. 9
Solids/solids momentum exchange coefficient ........................................................................................ 10
E. Correlations for maximum packing ......................................................................................................... 10
Yu-Standish correlation ........................................................................................................................... 10
Fedors-Landel correlation ........................................................................................................................ 11
F. Gas momentum equation constitutive models ......................................................................................... 12
Stresses..................................................................................................................................................... 12
Porous media model ................................................................................................................................. 12
G. Gas/Solids Turbulence models................................................................................................................ 12
H. Energy equation constitutive models ...................................................................................................... 12
Interphase heat transfer ............................................................................................................................ 12
Gas and solids conduction ....................................................................................................................... 13
Heats of reaction ...................................................................................................................................... 13
Nomenclature ............................................................................................................................................... 14
References .................................................................................................................................................... 16

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The purpose of this document is to summarize the current set of equations in MFIX. This document will
be updated when the equations in MFIX are revised or errors in this document needs to be fixed. The
equations are listed here without any explanation, to expedite the publication of this document. Some
details about the equations may be found in the two previous MFIX documents [1, 2]; be aware that some
of the equations in those documents have been revised. Refer to the readme file for the keywords (to be
used to set up an MFIX simulation) for selecting the different equation choices presented here.
Please note that all transport equations in MFIX are solved in non-conservative form by subtracting the
continuity equation from their conservative form.
A. Governing equations
Einstein summation convention implied only on subscripts i and j.
Continuity equations for solids phases m = 1, M:
Nm

m m m mU mi Rmn
t
xi
n=1

(A1)

Continuity equation for gas phase g:

g g g gU gi
t
xi

Ng

(A2)

gn

n=1

Momentum equations for solids phases m = 1, M:

m m U mjU mi
m mU mi
x j
t

Pg
mij

I gmi I kmi
m
xi
x j
k 1

(A3)
m m gi

Momentum equations for gas phase g:

g g U gjU gi
g gU gi
x j
t
g g gi

Pg
gij

I gmi f gi
g
xi
x j
m 1

(A4)

Granular temperature equations for solids phases m = 1, M

m
U mi

3 m m mU mj m
m
mij
m

x j
xi
2 t
x j
xi

m m m J m (A5)

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Energy balance equations for solids phases m = 1, M

Tm

m m C pm

U mj

Tm
qmi
4
gm Tm Tg H m Rm TRm
Tm4

x j
xi

(A6)

Energy balance equation for gas phase g:

Tg
Tg
q gi M
g g C pg
U gj
gm Tm Tg H g Rg TRg4 Tg4

x j
xi m1
t

(A7)

Species balance equations for solids phases m = 1, M

m m X mn m mU mi X mn Dmn X mn
t
xi
xi
xi

R mn

(A8)

Species balance equation for gas phase g:

g g X gn g gU gi X gn Dgn X gn
t
xi
xi
xi

R gn

(A9)

B. Kinetic Theory
Constitutive equations
This is a modified Princeton model [3]. Modifications include the ad-hoc extension of kinetic theory to
polydisperse systems (more than one solids phase), which guarantees that two identical solids phases will
behave same as one solids phase.
Solids stresses:

mi
ij 2 m S mij
mij Pm b
x

(B1)

where

1 U mi

3 x
i

(B2)

Pm m m m 1 4 n g 0,mn
n 1

(B3)

S mij

1 U mi U mj

2 x j
xi

Solids pressure:

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Solids viscosity:
M

m*
8 M
8
3
2
m
1 n g 0,mn 1 3 2 n g 0,mn b

3 g 0,mm 2 5 n1
n 1

5
5

(B4)

m m g 0,mm m

m*

M
2

m n g 0,mn m

n 1
m m
5

m d p m
96

M
256
m n g 0,mn
5
n 1

(B5)

(B6)
(B7)

Solids conductivity:
M
12 M

12 2

g
1

n 0,mn 5

n 0 ,mn
5 n1
m*
n 1

m
2

g 0,mm 64
2

41 33 n g 0,mn

25
n1

m m g 0,mm m

m*

(B8)

M
6

m n g 0,mn m
5

n 1
m m

75 m d p m

(B9)

(B10)

48 41 33

Collisional dissipation:

Jm

48

1 e
2

n 1

g 0,mn

dp

3m/ 2

(B11)
(B12)

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Exchange terms:

m 3 s

81 m g2 u g u m

(B13)

g 0,mm d p3 m m

Algebraic granular energy equation


MFIX offers an option to solve algebraic granular energy equation, which is derived by equating the
production to dissipation. Note that this is equation was revised in 2005.
2

2
- K 1m m D + K 1m
(Dmii ) 2 2m + 4 K 4m m [ K 2m (Dmii ) 2 + 2 K 3m (Dmij Dmij ) )]
mii

m =

K
4m
m

(B14)

K 1m = 2 (1 + emm ) m g 0 mm

(B15)

K 2m = 4 d pm m (1 + emm ) m g 0 mm / (3 ) K 3m =

2
K 3m
3

(B16)

8 m g 0 mm (1+ emm )

d pm m

[
3
1
+
0.4(1
+
)(3
1)
]
+
0
.
5

g
emm
emm emm m 0 mm

2 3(3 - emm )
5

(B17)

K 4m =

12(1 - e2mm ) m g 0mm

(B18)

d pm

C. Frictional Stress Models


Schaeffer model
This model [4] is used at the critical state when the solids volume fraction exceeds the maximum packing
limit.

10 24 *
g
Pc
0

10

g *
g *

(Note that the constant in the code is 1025 dyne/cm2).

(C1)

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P
sin

max
s
min c
, s
M

4I 2D
f

m 1

g *
(C2)

g *

smax 100

(C3)

(Note that this constant in the code is 1000 poise).

bulk
0
f

1
Ds ,11 Ds ,22 2 Ds ,22 Ds ,33 2 Ds ,33 Ds ,11 2 Ds2,12 Ds2,23 Ds2,31 (C5)
6
1 u s ,i u s , j

(C6)
xi
2 x j

I 2D
Ds ,ij

(C4)

Princeton model
This model [5] is a modification of Savage model that accounts for strain-rate fluctuations. Also the
frictional model influences the flow behavior at solids volume fractions below maximum packing
( sfmin 0.5 ).

10 24 * 10
g

1 g smin
Pc Fr
s
g *

g *
* g 1 sfmin

(C7)

g 1 sfmin

Where Fr =0.05, r= 2, s=5. (Note that the constants in the code are 0.5 and 1025 dyne/cm2).

Pf
v
1
2
Pc
n 2 sin S : S / d p

n 1

(C8)

m 1

MFIX Equations 2012-1 (January 2012)

2 Pf sin
Pf
n n 1
f

S : S / d p2
Pc

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1
n 1

s
M
m

(C9)

m 1

Here, the coefficient n is set differently depending on whether the granular assembly experiences a
dilatation or compaction:

n 2 sin
1.03

v 0
(C10)

v 0

2
3

f
bulk
f

(C11)

D. Interface Momentum Transfer


Gas/solids momentum interface exchange:

I gmi gm u gi u mi

(D1)

Solids/solids momentum exchange:

I kmi km u ki u mi

(D2)

Wen-Yu drag correlation

gm

g g m u g u m 2.65
3
g
CD
4
d pm

24 / Re 1 0.15 Re 0.687
CD
0.44
Re

g g u g u m d pm
g

Re 1000
Re 1000

(D3)

(D4)

(D5)

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Gidaspow drag correlation

gm

3
g g m u g u m 2.65
CD
g
d pm
4

150 s 1 g g 1.75 g m u g u m

2
d
d pm

g pm

24 / Re1 0.15 Re 0.687


CD
0.44

Re

g 0.8
(D6)

g 0.8

Re 1000
Re 1000

(D7)

g g u g u m d pm

(D8)

Hill-Koch-Ladd drag correlation


(valid for one solids phase only)
The drag correlation of Hill, Koch and Ladd [6, 7] was modified [12] and implemented in MFIX.

gm 18 g 1 m 2 m

F
2
d pm

(D9)

The drag force ( F ) is given as:

F 1 3 / 8 Re

F F0 F1 R

2
e

F F2 F3 Re

s 0.01 and Re

F2 1

3 / 8 F3

s 0.01 and Re

(D10)

F3 F32 4 F1 F0 F2
2 F1

F2 1

and
0
.
01
Re

s
3 / 8 F3

F3 F32 4 F1 F0 F2

s 0.01 and Re
2 F1

And the coefficients are defined as follows:

(D11)

(D12)

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1 3 s / 2 135 / 64 s ln s 17.14 s

s
1 w

10
w

2
3
3
1 0.681 s 8.48 s 8.16 s

1 s

F0
s

10
1 3
s

0.01 s 0.4

s 0.4
(D13)

2
/ 40

F1 s
0.11 0.00051 exp(11.6 )
s

0.01 s 0.1

(D14)

s 0.1

1 3 s / 2 135 / 64 s ln s 17.89 s

s
1 w

w
10

2
3
3
1 0.681 s 11.03 s 15.41 s

1 s

F2
s

10
1 3
s

s 0 .4
s 0 .4
(D15)

s 0.0953
0.9351 s 0.03667
F3
0.0673 0.212 s 0.0232/1 s 5 s 0.0953
g 1 m u g u m d pm
Re
2 g

(D16)

(D17)

w e 10 0.4 s / s

(D18)

Syamlal and OBrien

gm =

3 m g g
2
rm

4 V d pm

0.63 + 4.8

V rm / Rem u g u m

2
2
V rm = 0.5 A - 0.06 Rem + (0.06 Rem ) + 0.12 Rem (2B - A) + A

(D19)

(D20)

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A = 4.14
g

(D21)

0.8 1.28
if g 0.85
g
B = 2.65
if g > 0.85
g

(D22)

Rem =

d pm u g u m g

(D23)

Solids/solids momentum exchange coefficient

d p,m d p,k g u u s P

31 e c fkm
m k 0 ,mk
m
k
coef c
8 2 m d 3p ,m k d 3p ,k
2
2

km

(D19)

c fkm : Constant defined in input file (no default value assigned)


s coef : Constant defined in input file with default value of zero. (See reference [10] and [11] for details)

E. Correlations for maximum packing


This section provides description of two empirical correlations for computing the solids maximum
packing in polydisperse systems by Yu and Standish [8] and Fedors and Landel [9]. To use these
correlations, the numbering of the solids phases was rearranged in MFIX to start with the coarsest to the
finest powder.
Yu-Standish correlation
This correlation can be used for powder mixtures with 2 or more components.

* 1 smax
,mixture

max
s , mixture

min
max
i 1
1 1 s ,i

pij
j 1

(E1)

smax
,i
cxi

X
ij

smax
cx
i
1 , i

pij X ij
j i 1

i 1, 2, ..., M

(E2)

MFIX Equations 2012-1 (January 2012)

cxi

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s ,i
(E3)

s, j
j 1

1 rij2

max
2 s ,i
X ij
1 rij2

1 2 max
s ,i

ji
(E4)

ji

max
max
smax
1 2.35rij 1.35rij2
,i s ,i 1 s , i
pij max
s ,i

d p ,i

d p, j
rij
d p, j
d p ,i

smax
,i , d p , i

rij 0.741
(E5)

rij 0.741

i j
(E6)

i j

i 1, 2, ..., M represent the maximum packing and particle diameter of individual powders.

Fedors-Landel correlation
This correlation can only be used for a binary mixture of powders.

max
max
max
max

s ,1 s , 2 1 r2,1 1 s ,1 s , 2

max
max cx1

smax
smax
1

,1
,2
s ,1
s,2
max
s ,1

max
max
max
1 r2,1 smax
,1 1 s ,1 s , 2 cx 2 s ,1

max
s , mixture

cx1
cx1

smax
,1

smax
,1
max
1 smax
,1 s , 2

smax
,1

smax
,1
max
1 smax
,1 s , 2
(E7)

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F. Gas momentum equation constitutive models


Stresses

gij 2 gt S gij

(F1)

where

1 U gi U gj

2 x j
xi

1 U gi

3 x ij
i

gt Min( max , g e )

S gij

(F2)
(F3)

e 2 l s2 g g I 2 Dg
I 2 Dg

1
Dg ,11 Dg ,22 2 Dg ,22 Ds,33 2 Dg ,33 Dg ,11 2
6
Dg2,12 Dg2, 23 Dg2,31

Porous media model

f gi

(F4)

g
c1

U gi

c2
g U gjU gj U gi
2

(F5)

(F6)

G. Gas/Solids Turbulence models


The gas/solids turbulence models are given in Benyahia 2005. The equations are not reproduced here
because of a small inconsistency in the notation.

H. Energy equation constitutive models


Interphase heat transfer

gm

0
gm

C pg Rgm

C pg Rgm
1
exp
0

gm

6 g m Num

(H1)

(H2)

d m2

Nu m 7 10 g 5 g2 1 0.7 Re 0m.2 Pr 1 / 3 1.33 2.4 g 1.2 g2 Re 0m.7 Pr 1 / 3

(H3)

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Gas and solids conduction

qmi m
q gi g

Tm

xi
Tg
xi

(H4)
(H5)

Heats of reaction
Ts

X gn
X gn

H m H m ,ref n C pmn (T )dT g g


U gi

t
x

n
i

Tref

Ts
Nm

H m ,ref n C pmn (T )dT Rmn X mn Rmn

n
n=1

Tref

Tg
Ng

H g H g ,ref n C pgn (T )dT Rgn X gn R gn

n
n=1
Tref

(H6)

(H7)

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Nomenclature
c1
c2
Cpg
Cfkm
Cpm
dpm
D gij

Permeability of porous media; m2


Inertial resistance factor of porous media; m-1
Specific heat of the fluid phase; J/kgK
Coefficient of friction for solids phases k and m
Specific heat of the mth solids phase; J/kgK
Diameter of the particles constituting the mth solids phase; m
Rate of strain tensor, fluid phase; s-1

Dmij
Dgn
Dmn
ekm
fgi
gi
g0m
(Hm,ref )n
(Hg,ref )n
Hg
Hm
i, j

Rate of strain tensor, solids phase-m; s-1

I2Dg
I2Ds
kg
kpm
ksm
ls
m
M
Mw
n
Ng
Nm
Num
Pg
Pmp
Pmv
Pr
qgi
qmi
R
Rem
Rkm
Rmk

Diffusion coefficient of nth gas-phase species, kg/ms


Diffusion coefficient of nth solids-phase-m species-n, kg/ms
Coefficient of restitution for the collisions of mth and kth solids phases
Fluid flow resistance due to porous media; N/m3
Acceleration due to gravity; m/s2
Radial distribution function at contact
Enthalpy of mth solids phase, species n at Tref; J/m3
Enthalpy of fluid phase, species n at Tref; J/m3
Heat of reaction in the fluid phase; J/m3s
Heat of reaction in the mth solids phase; J/m3s
Indices to identify vector and tensor components; summation convention is used
only for these indices.
Second invariant of the deviator of the strain rate tensor for gas phase; s-2
Second invariant of the deviator of the strain rate tensor for solids phase 1; s-2
Fluid-phase conductivity; J/mKs
Conductivity of material that constitutes solids phase m; J/mKs
Solids phase m conductivity; J/mKs
A turbulence length-scale parameter; m
Index of the mth solids phase. "m=0" indicates fluid phase
Total number of solids phases
Average molecular weight of gas
Index of the nth chemical species
Total number of fluid-phase chemical species
Total number of solids phase m chemical species
Nusselt number
Pressure in the fluid phase; Pa
Pressure in Solids phase m, plastic regime; Pa
Pressure in Solids phase m, viscous regime; Pa
Prandtl number
Fluid-phase conductive heat flux; J/m2s
Solids-phase m conductive heat flux; J/m2s
Universal gas constant; Pam3/kmolK
mth solids phase particle Reynolds number
Ratio of solids to fluid conductivity
Rate of transfer of mass from mth phase to kth phase. k or m = 0 indicates fluid
phase; kg/m3s

MFIX Equations 2012-1 (January 2012)


Rgn
Rmn
t
Tg
Tm
TRef
TRg
TRm
Ugi
Umi
xi
Xgn
Xmn
GREEK LETTERS
gm

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Rate of production of the nth chemical species in the fluid phase; kg/m3s
Rate of production of the nth chemical species in the mth solids phase; kg/m3s
Time; s
Thermodynamic temperature of the fluid phase; K
Thermodynamic temperature of the solids phase m; K
Reference temperature; K
Fluid phase radiation temperature; K
Solids phase-m radiation temperature; K
Fluid-phase velocity vector; m/s
mth solids-phase velocity vector; m/s
ith Coordinate Direction; m
Mass fraction of the nth chemical species in the fluid phase
Mass fraction of the nth chemical species in the mth solids phase

gm

Coefficient for the interphase force between the fluid phase and the mth solids
phase; kg/m3s
Coefficient for the interphase force between the kth solids phase and the mth solids
phase; kg/m3s
Fluid-solids heat transfer coefficient corrected for interphase mass transfer; J/m3Ks

0
gm

Fluid-solids heat transfer coefficient not corrected for interphase mass transfer;

km

Rg
Rm
g
m

m
rm
vm
e
g
gmax
gt
pm
vm
mk
g
m

gij
mij

J/m3Ks
Fluid-phase radiative heat transfer coefficient; J/m3K4s
Solids-phase-m radiative heat transfer coefficient; J/m3K4s
Granular energy dissipation due to inelastic collisions; J/m3s
Volume fraction of the fluid phase (void fraction)
Packed-bed (maximum) solids volume fraction
Volume fraction of the mth solids phase
Function of restitution coefficient
Granular temperature of phase m; m2/s2
Solids conductivity function
Second coefficient of solids viscosity, viscous regime; kg/ms
Eddy viscosity of the fluid phase; kg/ms
Molecular viscosity of the fluid phase; kg/ms
Maximum value of the turbulent viscosity of the fluid phase; kg/ms
Turbulent viscosity of the fluid phase; kg/ms
Solids viscosity, plastic regime; kg/ms
Solids viscosity, viscous regime; kg/ms
mk = 1 if Rmk < 0; else mk = 0.
Microscopic (material) density of the fluid phase; kg/m3
Microscopic (material) density of the mth solids phase; kg/m3
Fluid-phase stress tensor; Pa
Solids phase m stress tensor; Pa
Angle of internal friction, also used as general scalar
Contact area fraction in solids conductivity model

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References
1. Syamlal, M., W.A. Rogers, and T.J. O'Brien, 1993. "MFIX Documentation, Theory Guide,"
Technical Note, DOE/METC-94/1004, NTIS/DE94000087, National Technical Information
Service, Springfield, VA.
2. Syamlal, M. December 1998. MFIX Documentation: Numerical Techniques. DOE/MC-313465824. NTIS/DE98002029. National Technical Information Service, Springfield, VA
3. Agrawal, K., Loezos, P.N., Syamlal, M and Sundaresan, S., 2001. J. Fluid. Mech., 445, 151-185.
4. Schaeffer, D.G., 1987. J. Diff. Eq., 66, 19-50.
5. Srivastava, A. and Sundaresan, S., 2003. Powder Tech., 129, 72-85.
6. Hill, R.J., Koch, D.L. and Ladd, J.C., 2001. J. Fluid Mech., 448, 213-241.
7. Hill, R.J., Koch, D.L. and Ladd, J.C., 2001. J. Fluid Mech., 448, 243-278.
8. Yu, A.B. and Standish N., 1987. Powder Tech., 52, 233-241.
9. Fedors, R.F. and Landel R.F., 1979. Powder Tech., 23, 225-231.
10. Gera, D., Syamlal M, O'Brien TJ, 2002. Int. J. Multiphase flow, 30 (4), 419-428.
11. Syamlal, M., 1987, "The Particle-Particle Drag Term in a Multiparticle Model of Fluidization,"
Topical Report, DOE/MC/21353-2373, NTIS/DE87006500, National Technical Information
Service, Springfield, VA.
12. Benyahia, S., Syamlal M and O'Brien TJ, 2006. Powder Tech., 162, 166-174.