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MECH5265 Tutorial 04 Solutions

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SCHOOL OF AEROSPACE, MECHANICAL AND

MECHATRONIC ENGINEERING
MECH5265 Advanced Combustion

Tutorial & Practice Questions: 4


Topic: Chemical Kinetics

Question 1
In a global, single-step mechanism for butane combustion, the reaction order with respect to butane
is 0.15 and with respect to oxygen is 1.6. The rate coefficient can be expressed in Arrhenius form:
the pre-exponential factor is 4.16x109 [(kmol/m3)-0.75/s] and the activation energy is 125,000 kJ/kmol.
a) Write out an expression for the rate of butane destruction, d[C4H10]/dt.
b) What is the overall order of this global reaction.
c) Determine the volumetric mass oxidation rate of butane, in
kg/s-m3, for a fuel–air mixture with an equivalence ratio of 0.9, temperature of 1200 K, and
pressure of 1 atm.

Question 2:
Consider the following CO oxidation reactions
k1
CO  OH  CO2  H
k2
CO  O2  CO2  O
 3000 
where k1 (cm 3 / mol  s )  1.17 x10 7 T 1.35 exp 
 RT 
  200000 
k 2 (cm 3 / mol  s )  2.5 x1012 exp 
 RT 
Calculate and compare the characteristic times associated with these two reactions for T=2000K and
P=1atm. Use the following mole fractions:
XCO=0.011 XOH=3.68x10-3 XO2=6.43x10-3

Question 3
Consider the following reactions for hydrogen combustion:
𝑘
𝐻 𝑂 ↔ 𝑂𝐻 𝑂 𝑅1
𝑘
𝑘
𝑂 𝐻 ↔ 𝑂𝐻 𝐻 𝑅2
𝑘
𝑘
𝑂𝐻 𝐻 ↔ 𝐻𝑂 𝐻 𝑅3
𝑘
Use the partial equilibrium assumptions to derive an algebraic expression for the molar concentrations
of O, H and OH in terms of the kinetic rate coefficients and the molar concentrations of O2, H2 and
H2O.
SCHOOL OF AEROSPACE, MECHANICAL AND
MECHATRONIC ENGINEERING
MECH5265 Advanced Combustion
Tutorial & Practice Questions: 3-Solutions

Question 1:

GIVEN: Global reaction: C4 H10  aO2  Products


Reaction order: butane 0.15
O 2 1.6

A = 4.16 109 (kmol/m3 ) .75 /s


E A  125,500 kJ/kmol

FIND: Expression for d[C4H10 ] / dt


a) We apply the definition of a global rate law (Eqn. 4.2) and the definition of an Arrhenius
rate coefficient (Eqn. 4.18):
d[C 4 H10 ]
 k[C 4 H10 ]m [O 2 ]n
dt
Or
d[C 4 H10 ]
 A exp(E A /R u T)[C4 H10 ]0.15 [O 2 ]1.6
dt
Substituting for A and EA:
d[C4 H10 ]  125,500 
 4.16 109 exp  0.15
 [C4 H10 ] [O2 ]
1.6

dt  R u T 
COMMENT: Care must be taken to use correct units in evaluating d[C4H10 ]/dt:
molar concentrations must be expressed in kmol/m3; Ru is 8.315 kJ/kmol-K.

b) The overall order of the global reaction is = 0.15 + 1.6 = 1.75

 C4 H10
m
c) Find:
 C4 H10  
We first note that: m  C4H10 MWC4 H10  MWC4H10 d[C4 H10 ] / dt.

The molar concentrations required to evaluate d[C4H10]/dt are found:


a 10
C 4 H10  (O 2  3.76 N 2 )  Products, where a  4   6.5
 4

C4H10  1/ [1  6.5(4.76) /  ]  1/ 35.37  0.02827


O2  (6.5 /  ) / [1  6.5(4.76) /  ]  7.22 / 35.37  0.20415

 N2  1  0.02827  0.20415  0.7676

i P
Converting i s to [Xi ] (Eqn. 4.40) :[X i ] 
R uT
0.02827 (101,325)
[C4 H10 ]   0.02827 (0.01015)
8315 (1200)
= 2.871104 kmol/m3
[O2] = 0.20415 (0.01015) = 2.073ꞏ103 kmol/m3
Applying result from prob. 4–6:
 125,500 
 C4 H10  58.123 (4.16 109 ) exp 
m 4 0.15 3 1.6
 (2.87110 ) (2.073 10 )
 8.315 (1200) 
 58.123 (1.434 1014 ) (0.2942) (5.0881105 )

 12.48 kg/s-m3
Question 2:
Question 3:

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