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Original Title: PyroFOAM Draft Governing Equations

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f,g

Interface Area, Ai

Solid Phase

s

f,s

Governing Equations

The governing equations for the gas and solid portion of a given cell are derived in the following section.

Figure 1 shows a representative cell within the domain that contains a volume fraction of solid and gas

denoted by s and g respectively. Each cell face is also assigned a solid and gas face fraction (f ) based

on the amount of face area that is covered by the solid and gas. Finally, the interface area (Ai ) represents

the boundary between the solid and gas domains within the cell. The decomposition of each cell and

determination of the volume fractions, face fractions, and interface area will be covered in Section ??.

1.1

Solid Phase

The mass continuity equation for the shaded solid control volume is

Z

Z

s (

urel n

)dAs = 0.

s dVs +

t Vs

As

Discretizing the solid continuity equation using a first-order approximation in time and a second-order

approximation for the surface integral, the equation is written as

s Vs 0s Vs0 X

+

s (

urel Af,s ) = 0.

t

f,s

Assuming that the solid is incompressible, the surface is regressing at a constant rate (r),

and the solid phase

is stationary, the continuity equation becomes

Vs Vs0

m

00 Ai

=

,

t

s

where m

00 = s r.

Furthermore, transferring the equation from the solid control volume to the cell control

volume using the volume and area fractions, the final form of the solid continuity equation is

s s0

m

00 Ai

=

.

t

s V c

1

(1)

Similarly, the energy equation for the shaded solid control volume is

Z

Z

Z

Z

s cs Ts dVs +

cs Ts (s u

rel n

)dAs

s cs (Ts n

)dAs =

STs dVs ,

t Vs

As

As

Vs

where STs is any volumetric source within the solid domain. Discretizing the solid energy equation and

assuming constant thermophysical properties within the solid yields

s cs

Ts Vs Ts0 Vs0 X

00 cs (Ti Tref )Ai ,

t

f

where Ti is the temperature of the solid at the interface and Tref is a combustion reference temperature.

Finally, transferring the equation from the solid volume to the entire cell volume shows that

s cs

Ts s Ts0 s0

1 X

m

00 cs (Ti Tref )Ai

.

t

Vc

Vc

f,s

Ts s Ts0 s0

Ts Ts0

s s0

= s

+ Ts0

,

t

t

t

the final form of the solid energy equation is obtained as

s cs s

1 X

Ts Ts0

m

00 cs (Ti Ts0 )Ai

.

t

Vc

Vc

(2)

f,s

1.2

Z

Z

dVg +

(

un

)dAg = 0

t Vg

Ag

Using second-order approximations of the integrals and a first-order time derivative

Vg 0 Vg0 X

+

(

u Af,g ) = 0

t

f,g

Vc

g 0 g0 X

+

(

u Af )f = m

00 Ai

t

f

Divide by cell volume, Vc , to give the equation in OpenFOAM form that we want to solve

g 0 g0

1 X

m

00 Ai

+

(

u Af )f =

t

Vc

Vc

f

1.3

Z

Z

Z

udVg +

u

(

un

)dAg + Fp =

Su dVg

t Vg

Ag

Vg

(3)

uVg 0 u

0 Vg0 X

+

u

(

u Af,g ) + Fp = Su Vg

t

f,g

Vc

ug 0 u

0 g0 X

+

u

(

u Af )f + Fp f = S(

u)g Vc + us m

00 Ai

t

f

It is important to note that the velocity of the solid is zero by definition and therefore does not add any

additional momentum to the system. Divide by cell volume, Vc , to give the equation in OpenFOAM form

that we want to solve

ug 0 u

0 g0

1 X

Fp f

+

u

(

u Af )f +

= Su g

t

Vc

Vc

f

1.4

Z

Z

Z

p

EdVg +

(E + )(

un

)dAg =

SE dVg

t Vg

Ag

Vg

The total energy of the fluid can be rewritten in terms of the specific enthalpy (hs ) such that

u2 + v 2 + w 2

2

p

i =hs

E =i + K

p

E =hs + K

K=

Z

Z

Z

p

(hs + K )dVg +

(hs + K)(

un

)dAg =

SE dVg

t Vg

Ag

Vg

Using second-order approximations of the integrals and a first-order time derivative

hs Vg 0 h0s Vg0 X

+

hs (

u Af,g )

t

f,g

KVg 0 K 0 Vg0 X

+

+

K(

u Af,g )

t

f,g

pVg p

t

=SE Vg

Vg0

(4)

Vc

hs g 0 h0s g0 X

+

hs (

u Af )f

t

f

+Vc

Kg

t

K 0 g0

K(

u Af )f

pg p0 g0

+Vc

t

=SE g Vc

Similar to the momentum equation, the solid does not contribute any kinetic energy to the flow due to it

having zero velocity. Divide by cell volume, Vc , to give the equation in OpenFOAM form that we want to

solve

hs g 0 h0s g0

1 X

+

hs (

u Af )f

t

Vc

f

Kg 0 K 0 g0

1 X

+

K(

u Af )f

+

t

Vc

(5)

pg p0 g0

t

=SE g

+

1.5

Conservation of a given species mass fraction (Yi ) on gray (gas) control volume (Vg) surround by boundary

Ag

Z

Z

Z

Z

Yi dVg +

Yi (

un

)dAg +

(Gi n

)dAg =

SYi dVg

t Vg

Ag

Ag

Vg

Using second-order approximations of the integrals and a first-order time derivative

X

Yi Vg 0 Yi0 Vg0 X

i Af,g ) = SY Vg

+

Yi (

u Af,g ) +

(G

i

t

f,g

f,g

Vc

X

Yi g 0 Yi0 g0 X

i Af )f = SY g Vc + Yi,b m

+

Yi (

u Af )f +

(G

00 Ai

i

t

f

f,g

Divide by cell volume, Vc , to give the equation in OpenFOAM form that we want to solve

Yi g 0 Yi0 g0

1 X

+

Yi (

u Af )f

t

Vc

(6)

1 X

Yi,b m

00 Ai

(Gi Af )f = SYi g +

Vc

Vc

f,g

The governing equations derived in Section 1 account for the transfer of mass, momentum, and species

between the solid and gas phase; however, these governing equations only account for the energy transfer

between the domains due to the mass transfer and do not account for the energy conduction across the

boundary or any surface fluxes that may be present such as the pyrolysis energy release.

Completing an energy balance across the infinitesimal solid gas interface leads to the equation

m

00 hs,s [Ti ] ks

Ts

Tg

00

+ qext

m

00 hs,g [Ti ] + kg

= 0.

x

x

Applying a first order discretization to the derivatives and collecting similar terms, the equation is then

rewritten as

Tg Ti

Ti Ts

00

+ kg

+ qext

m

00 (hs,s [Ti ] hs,g [Ti ]) ks

= 0.

Ls

Lg

The first term in this equation contains the condensed phase heat release value, Qc = hs,s [T ] hs,g [T ].

Substituting this value into the equation and solving for the interface temperature yields

Ti =

00

m

00 Qc + ks Ts /Ls + kg Tg /Lg + qext

ks /Ls + kg /Lg

(7)

Using this interface temperature, source terms for the solid and gas phase energy equation are determined.

One method of applying consistent boundary conditions across the phase linking is to allow one boundary to

have a constant temperature condition while the other boundary has a constant flux condition. The present

code implements this method by setting a constant temperature boundary on the solid and a constant flux

boundary on the gas. The additional solid source terms are

k s Ai

Ls Vc

ks Ti Ai

=

Ls Vc

Spt,s =

Sut,s

and the additional gas source terms are

Sut,g =

kg (Ti Tg )Ai

.

Lg Vc

The addition of the above source terms lead to the following modified versions of the solid and gas governing

equations respectively:

s cs s

1 X

Ts Ts0

m

00 cs (Ti Ts0 )Ai

+ Sut,s Spt,s Ts

s cs (Ts Af f,s ) = STs s

t

Vc

Vc

(8)

f,s

hs g 0 h0s g0

1 X

+

hs (

u Af )f

t

Vc

f

Kg 0 K 0 g0

1 X

+

+

K(

u Af )f

t

Vc

f

pg p0 g0

t

qb Ab

=SE g +

+ Sut,g .

Vc

+

(9)

A common problem in immersed boundary methods is that small cells within the domain cause numeric

instability. Typically these small cells are solved using an approximation in order to limit the effect of the

aforementioned instability. The approximation chosen in the current code is to determine the small cell

values based on a steady state solution between the small cell and its neighboring cells. The following

section details the derivation of the small cell approximation for each governing equation.

3.1

Starting with the previously derived solid energy equation, 8, and removing the time varying terms, we end

with the equation

m

00 cs (Ti Ts0 )Ai

ks Ai (Ti Ts )

1 X

s cs (Ts Af f,s ) = STs s

+

.

Vc

Vc

Ls Vc

f,s

3.2

Starting with the immersed boundary form of the gas continuity equation, (3), and splitting the time

derivative terms yields

g g0

0

1 X

m

00 Ai

g0

+

+

(

u Af )f =

.

t

t

Vc

Vc

f

Setting the density time derivative to zero and substituting (1) for the volume fraction time derivative

transforms the equation to

m

00 Ai

m

00 Ai

1 X

(

u Af )f =

+

.

V c s

Vc

Vc

f

Rearranging this equation and defining the implicit and explicit source terms as Sp = m

00 Ai/s Vc and

00

Su = m

Ai/Vc respectively further yields

1 X

(

u Af )f = Su Sp .

Vc

(10)

3.3

Starting with the immersed boundary form of the gas momentum equation, (4), and splitting the time

derivative yields

u

g 0 g0

u

u

0

1 X

Fp f

+ 0 g0

+

u

(

u Af )f +

= Su g .

t

t

Vc

Vc

(11)

Setting the velocity time derivative to zero and further splitting the density, volume fraction time derivative

yields

!

0

g g0

1 X

Fp f

0

u

g

+

+

u

(

u Af )f +

= Su g .

(12)

t

t

Vc

Vc

f

Again, assuming the density time derivative is zero and substituting (1) for the volume fraction derivative

u

m

00 Ai

1 X

Fp f

+

u

(

u Af )f +

= Su g .

s V c

Vc

Vc

f

(13)

00 Ai/rhos Vc and rearranging the equation leaves a final form of

the momentum equation as

Fp f

1 X

u

(

u Af )f +

= Su g Suu u

.

Vc

Vc

(14)

3.4

Starting with the immersed boundary form of the gas energy equation and splitting the time derivative yields

hs

g g0

hs 0 h0s

1 X

+ g0

+

hs (

u Af )f

t

t

Vc

f

Kg 0 K 0 g0

1 X

+

+

K(

u Af )f

t

Vc

f

p0 g0

pg

t

=SE g + Sut,g .

Setting the density and sensible enthalpy time derivatives to zero and substituting (1) for the volume fraction

time derivative leaves

hs

m

00 Ai

1 X

hs (

u Af )f

+

s Vc

Vc

f

Kg

t

K 0 g0

1 X

K(

u Af )f

Vc

f

pg p0 g0

+

t

=SE g + Sut,g .

Defining the implicit source term as Sphs = m

00 Ai/rhos Vc yields the final form of the equation

1 X

hs (

u Af )f

Vc

f

Kg 0 K 0 g0

1 X

+

K(

u Af )f

t

Vc

(15)

pg p0 g0

t

=SE g + Sut,g Sphs hs .

+

3.5

Starting with the immersed boundary form of the gas species equation and splitting the time derivative

yields

Yi

g g0

Yi 0 Yi0

1 X

+ g0

+

Yi (

u Af )f

t

t

Vc

f

1 X

Yi,b m

00 Ai

+

(Gi Af )f = SYi g +

Vc

Vc

f,g

Setting the density and mass fraction time derivatives to zero and substituting (1) for the volume fraction

time derivative leaves

Yi

m

00 Ai

1 X

+

Yi (

u Af )f

s V c

Vc

f

1 X

Yi,b m

00 Ai

+

(Gi Af )f = SYi g +

Vc

Vc

f,g

00 Ai/rhos Vc and SuY i = Yi,b m

00 Ai/Vc respectively yields the final form of the equation

1 X

1 X

Yi (

u Af )f +

(Gi Af )f = SYi g + SuY i SpY i Yi

Vc

Vc

f

(16)

f,g

Nomenclature

Symbols

Ai

As

c

D

E

Es

g

hs

K

k

L

M

m

00

p

Q 00

Qg

Qs

R

R

r

S

Sp

Su

T

t

u

V

Y

Yb

interface area

solid phase frequency factor

specific heat capacity

species diffusivity

total energy

solid phase activation energy

gravity vector

sensible enthalpy

kinetic energy

thermal conductivity

conduction length

molecular weight

mass flux

pressure

heat flux

gas heat generation rate

solid phase heat release

heat transfer resistance

universal gas constant

surface regression rate

volumetric source term

implicit source term

explicit source term

temperature

time

velocity vector

volume

specie mass fraction

specie mass fraction from solid combustion

Greek Symbols

volume fraction

species generation rate

density

Subscripts

c

f

g

i

j

s

t

cell

face

gas

interface

specie

solid

transferred

Superscripts

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