ME 525: Combustion

Lecture 9: Mass and Species Conservation

• Rudiments of Mass Transfer

• Some Applications of Mass Transfer
• Mass Conservation for Reacting Flows
• Species Conservation for Reacting Flows
 Molecular Basis for Diffusion
Fuel and oxygen must diffuse into each other before they can react. Products must
diffuse away from flame before reaction can proceed. Reactive species/radicals must
diffuse into mixture
1
 8k BT  2 " 1  nA 
v   ;ZA  v
  mA  4  Vtot 
1 2
 ; a    x / 2
 ntot  2 3
2   
V 

School of Mechanical Engineering, Purdue University

 Molecular Basis for Diffusion
mA  mA  x  mA  x  Z A x  a mA  Z A x  a mA
1
  v (YA, x  a  YA, x  a );
4
  mtot / Vtot ; YA  nA mA / mtot
dYA
   DAB
dx
DAB  v  / 3  v x / 2
1/2
2  kB T  T3
  3  ;
3   mA   P
2

DAB  T 3/2
P ;  DAB  T
1 1/2

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 Fick’s Law of Diffusion
• Binary diffusion, Fick’s law on mass basis:
𝑚″𝐴 = 𝑌𝐴 (𝑚″𝐴 + 𝑚″ 𝐵 ) − 𝜌𝐷𝐴𝐵 𝛻𝑌𝐴
𝑀𝑎𝑠𝑠 flow 𝑀𝑎𝑠𝑠 flow of species A 𝑀𝑎𝑠𝑠 flow of species A
of species A 𝑎𝑠𝑠𝑜𝑐𝑖𝑎𝑡𝑒𝑑 with bulk associated with molecular
per unit area flow per unit area diffusion per unit area

YA:Mass fraction of A; DAB:Binary diffusivity[m2/s]; ρ: Mixture mass density

• Binary diffusion, Fick’s law on molar basis:
𝑁 ″𝐴 = 𝜒𝐴 𝑁 ″𝐴 + 𝑁 ″ 𝐵 − 𝑐𝐷𝐴𝐵 𝛻𝜒𝐴

N  A : Molar flux [kmol/m -s]

2

𝜒𝐴 : Mole fraction of A
c : Mixture molar concentration [kmol/m3]

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 Mass Transfer Rate Laws
YB
A B Note that the magnitude of
YA
Yi gradient adjusts to balance
the magnitude of diffusivity.
dYA
mA  mYA   DAB DAB  DBA
dx
dYB
mB  mYB   DBA
dx x
m  mA  mB
dYA dYB
 m(YA  YB )   DAB   DBA
dx dx
dYA dYB
 DAB    DBA
dx dx
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 Some Applications of Mass Transfer
Gas B Gas B
+ Vapor A
x=L
dYB
mB  mYB   DBA 0
dx x=0
 m  mA
Liquid A
dYA dY
mA  mYA   DAB  mAYA   DAB A
dx dx
dY
mA (1  YA )    DAB A
dx
 (mA /  DAB ) x   ln(1  YA )  C
 DAB 1  YA, L  Psat MWA
mA  ln   ; YA,0 
L  1  YA,0  P MWmix
YA, L  YA,0 ;0  YA,0  1; YB ,0  1  YA,0

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 Example Problem
• Consider liquid n-hexane in a 50-mm-diameter graduated cylinder. The
distance from the liq.-gas interface to the top of the cylinder is 20 cm.
The steady-state n-hexane evaporation rate is 8.2 X10-8kg/s and the n-
hexane mass fraction at the liquid-air interface is 0.482. The diffusivity of
n-hexane in air is 8.0X10-4 m2/s.
(a) Determine the mass flux of n-hexane vapor. Give units.
(b) Determine the bulk flux of n-hexane vapor, i.e. that portion associated
with the bulk flow, at the liq.-gas interface.
(c) Determine the diffusional flux of n-hexane vapor at the liq.-gas interface

Air Air
x=20
+
YC6H14 = YC6H14 (20) Vapor C6H14

x=0, YC6H14 =0.482

mC6 H14  8.2 X 108 kg / s

Liquid C6H14

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 Example Problem
• Consider liquid n-hexane in a 50-mm-diameter graduated cylinder. The
distance from the liq.-gas interface to the top of the cylinder is 20 cm.
The steady-state n-hexane evaporation rate is 8.2 X10-8kg/s and the n-
hexane mass fraction at the liquid-air interface is 0.482. The diffusivity of
n-hexane in air is 8.0X10-4 m2/s.
(a) Determine the mass flux of n-hexane vapor. Give units.
(b) Determine the bulk flux of n-hexane vapor, i.e. that portion associated
with the bulk flow, at the liq.-gas interface.
(c) Determine the diffusional flux of n-hexane vapor at the liq.-gas interface
𝑚 8.2𝑋10 −8
″ 𝐶6 𝐻14
Liquid mass flux 𝑚 𝐶6𝐻14 = =
𝜋 𝐷2 4 𝜋 0.05 2 4
supplied: = 4.176X10−5 𝑘 𝑔 𝑠 − 𝑚2

Advection (Bulk) vapor mass flux at surface

= mC6 H14 *YC6 H14
−5
= 4.176X10 X0.482
= 2.013X10-5kg/s-m2

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 Example Problem
𝑑𝑌𝐶6 𝐻14
Diffusional mass flux at surface = -ρD
𝑑𝑥
(Apply Fick’s law)
Conservation of mass at surface,
dYC6 H14
 D  mC6 H14  mC6 H14 * YC6 H14
dx
= (1-0.482)*4.176X10−5 𝑘 𝑔 𝑠 − 𝑚2
= 2.163*10-5 𝑘 𝑔 𝑠 − 𝑚2

Air Air
x=20
+
YC6H14 = YC6H14 (20) Vapor C6H14
𝑚″ 𝐶6 𝐻14 =4.176X10−5 𝑘𝑔 𝑠−𝑚2
x=0, YC6H14 =0.482
𝑚″ 𝐶6 𝐻14,adv =2.013X10−5 𝑘 𝑔 𝑠−𝑚2
𝑚″
𝐶6 𝐻14,𝑑𝑖𝑓𝑓 =2.163X10−5𝑘𝑔 𝑠−𝑚2
Liquid C6H14

School of Mechanical Engineering, Purdue University

 Some Applications of Mass Transfer
Gas B Gas B
dYA + Vapor A
m  mA  mYA   DAB x=L
dx
 4.176 X 105 [kg / m 2  s] x=0

dYA
 mAYA surface   DAB Liquid A
dx surface

 2.013 X 105  2.163 X 105 [kg / m 2  s]

dYB
mB  mYB   DBA 0
dx
 m(1  YA ) surface  4.176 X 105 (0.518)
dYB
  DBA =2.163X10 5 kg / m 2  s
dx surface

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Mass Conservation for Reacting Flows with Spatial Gradients
dmcv
 (mx  mx x )  (m y  m y y )  (mz  mz z )
dt
d xyz
 (  vx x yz   vx x x yz ) 
dt
(  v y z x   v y z x) 
y y y

(  vz z xy   vz z z
xy ) 
Divide by the small volume xy z and take limits as the small volume tends to 0
  vx  v y  vz
  
t x y z
Similar derivations can be performed in the
cylindrical and spherical coordinate systems
 1   r  vr  1  (  v sin  ) 1  v
2

  
t r 2 r r sin   r sin  
    vx  1  (r  vr ) 1  (r  v )
   2
t x r r r 
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 Species Conservation for Reacting Flows with Spatial
Gradients
Net Velocity
& components
Convection/Advection Diffusion Velocity
Velocity & components

mi
& components

dmcvYi
 (Yi m) x  (Yi m) x x  (Yi m) y  (Yi m) y y  (Yi m) z  (Yi m) z z  mi
dt

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 Species Conservation for Reacting Flows with Spatial
Gradients

d Yi xyz
 mi ( Yi (vx  vi ,diff , x )  Yi (vx  vi ,diff , x ) )yz 
dt x x x

( Yi (v y  vi ,diff , y )  Yi (v y  vi ,diff , y ) )z x 

y y y

( Yi (vz  vi ,diff , z )  Yi (vz  vi ,diff , z ) )xy

z z z

Divide by the small volume xy z and take

limits as the small volume tends to 0

Yi  v jYi  Y
   Dim i  mi
t x j x j x j

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 Example Problem: One Dimensional Advection-Diffusion
Consider a one dimensional steady flow of a fuel air mixture from a burner into a
quiescent oxidizer that diffuses into the fuel in a one dimensional manner. The fuel
mixes with the oxidizer but does not react. Write the species conservation equations
for the fuel and oxidizer and seek solutions with appropriate assumptions and with the
boundary conditions: YF=YFo and YO=YOo, x=0 and YF=0 and YO2=YO2L, x=L.

Yi  v jYi  Yi

   Dim  mi
t x j x j x j
Steady State No reaction

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 Example Problem: One Dimensional Advection-Diffusion
YF ,0 Large velocity, small K
d  uYF d dY d u
  D F ;  D  const., 0
dx dx dx dx
dYF d 2YF dYF d 2YF
 u  D 2  K
dx dx dx dx 2
1
( D 2  D)YF  0  YF  C1e(0) x  C2e( x / K )
K
YF ,0  C1  C2 ; YF , L  C1  C2e( L / K )
YF ,0  YF , L YF ,0  YF , L YF , L  YF ,0 e( L / K ) YF , L
C2  ; C1  YF ,0   Small velocity, large K
1 e ( L/ K )
1 e (L/ K )
1  e( L / K )
(YF , L  YF ,0 e( L / K ) )  (YF ,0  YF , L )e( x / K ) YF ,0 (e L / K  e x / K )
YF  
1  e( L / K ) (e L / K  1)
Note :0  x  L; YF  0;(e L / K  1)  0

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