Problem 1 (Textbook problem 6.7).

Well-Stirred Reactor
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Problem 2 . Blowout

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 3500 2.50E‐02

3000
2.00E‐02

2500
Temperature

Mass Fraction
1.50E‐02
2000

1500
1.00E‐02

1000

5.00E‐03
500

0 0.00E+00
1.E‐05 1.E‐04 1.E‐03 1.E‐02 1.E‐01 1.E+00
Residence Time
WƌŽďůĞŵϯ͘ƵƚŽŝŐŶŝƚŝŽŶ
Approach:IntegrateEquations(6.10)&(6.15)ofthetextbookusingEulermethodtofindFuel
concentrationandreactortemperatureasafunctionoftime.Eulermethodisanexplicit
Numericalscheme,meaningthattheunknownvaluesineachtimeͲstep(temperatureand
species)arerelatedtotheknownparametersintheprevioustimeͲstep.Firstlet’sfindthe
conservationequations.Stoichiometricmethanecombustionreactionis:

CH4+2(O2+3.76N2)їCO2+2H2O+7.52N2

Z O 2 2Z F
Z N 2 0
Z CO 2 Z F 
Z H 2O 2Z F
? ¦ Z
Re ac tan ts & Pr oducts
0

Wewillhaveonespeciesconservationequation(IC.6.15)foreachofCH4,O2,N2,CO2andH2O
concentrationsandoneequationfortemperature.Alloftheseequationsusefuelconsumption
ratewhichisinthefollowingform(fromtable5.1):

 ^Z F `n ^1.3E8 u exp(24358 / T ) u [CH 4]  0 .3

` § mole ·
[O 2]1.3 n ¨ ¸
© cc. sec ¹

Where“n”indicatesthetimeͲstepnumber.Assumingzeroheattransfertothereactor,the
temperatureequationis:

­  ¦ (h f ,i  c p ,i (T  Tref ))Z i ½
­ dT ½ ° Re ac.& Pr od . °
® ¾ ® ¾
¯ dt ¿ n ° ¦ [ X i ]c p ,i ° 
¿n
¯ Re ac .& Pr od .

^T `n1 ^T `n  ­® dT ½¾ u dt
¯ dt ¿ n

WhereTref=298K.SpeciesequationsareinthefollowingformifweutilizeEuler’smethod:

­ d[ X i ] ½ ­ § 1 dT ·½
® ¾ ®Z i  [ X i ]¨ ¸¾
¯ dt ¿ n ¯ © T dt ¹¿ n

­ d[ X i ] ½
^[ X i ]`n1 ^[ X i ]`n  ® ¾ u dt
¯ dt ¿ n


Initialcondition:

T=1000K, X_H2O=X_CO2=0, X_FUEL=0.095, X_O2=0.19, X_N2=0.715

Tableofconstants:

parameter UNITS CH4 O2 N2 CO2 H2O

Cp J/mole/K 71.6 34.936 32.762 54.36 41.315
at1000K
hf J/mole Ͳ74831 0 0 Ͳ393546 Ͳ241845
MW kg/mole 0.016 0.032 0.028 0.044 0.018
Here,1mswaschosenasthetimeͲstep,butanyvaluethatshowsthesametrendisOK.

First5timeͲstepscalculatedwithExcel:

t wF N/V [F] [O2] [N2] [CO2] [H2O] DT/dt T

s mole/m3/s mole/m3 mole/m3 mole/m3 mole/m3 mole/m3 mole/m3 K/s K
0.0E+00 Ͳ0.54 670 64 1.27E+02 4.79E+02 0.00E+00 0.00E+00 17.5458934 1000
1.0EͲ03 Ͳ0.54 670 64 1.27E+02 4.79E+02 5.38EͲ04 1.08EͲ03 17.5532489 1000
2.0EͲ03 Ͳ0.54 670 64 1.27E+02 4.79E+02 1.08EͲ03 2.15EͲ03 17.5606102 1000
3.0EͲ03 Ͳ0.54 670 64 1.27E+02 4.79E+02 1.62EͲ03 3.23EͲ03 17.5679774 1000
4.0EͲ03 Ͳ0.54 670 64 1.27E+02 4.79E+02 2.15EͲ03 4.31EͲ03 17.5753506 1000 

Hereistheresult:


Note:AutoͲignitiontimeformethaneisaround2.5secondswhichis4ordersofmagnitude
higherthanOctane.ItmeansthatOctaneiseasierandfastertoignite.Thisisconsistentwith
theoctaneratingasoctanenumberishigherformethane.
3c)

Auto-ignition time scales inversely proportional to pressure. This implies the global reaction rate
is first order as is the case for the simplified analysis in 3a)
Problem 4. Autoignition 
According to this graph (Gauthier, Davidson and Hanson, 2004) from the lecture notes:  

 
This graph is suggesting that for a fixed T, all ignition delay times for different pressures, must 
fall roughly into a single point on the graph if scaled for the pressure. So for two different 
conditions with the same T and different P, scaled ignition delay times should be the same: 
−1.05 −1.05
⎛ P ⎞ ⎛ P ⎞
τ 1 /⎜ 1 ⎟ = τ 2 /⎜ 2 ⎟
⎝ 55atm ⎠ ⎝ 55atm ⎠
1.05 1.05
 
τ 2 ⎛ P1 ⎞ ⎛1⎞
=⎜ ⎟ =⎜ ⎟ = 0.48
τ 1 ⎜⎝ P2 ⎟⎠ ⎝2⎠

So the new ignition delay time is 0.48 times the original one.   

 
Problem 5. Non-Premixed flames
Problem 6. Non-premixed flames
Problem 7. Emissions (Textbook problem 15.13)