5310: Combustion Fundamentals

Homework #3
The purpose of this homework assignment is to ensure that you have an appreciation for the 4
archetypical reactor models that have been developed in Turns Chapter 6 and in class. Furthermore, it is
critical that you not only understand these models from a theoretical perspective, but that you are to write
computer codes to solve each type of model. These computer codes will provide you with a solid
foundation on which to develop more sophisticated and complex combustion models.
1. Constant Volume Reactor Modeling

xplicitly derive all relevant e!uations and initial conditions shown in class for the
constant volume engine knock simulation

Calculate the actual value of the specific heat ratio, g, for ethane C"#6

$olve the set of coupled differential e!uations

%ake your code &intelligent' using a variable time step based on some convergence
criteria related to temperature gradient
o (enerate plots of fuel, oxidi)er and product molar concentrations versus time
o (enerate a plot of temperature versus time
o (enerate a plot of d*+dt versus time
o ,epeat for - ../ and comment on results

%odify your code to account for variable molecular weights and specific heats.

,epeat with methane fuel, C"#4 with - 0.. and - ../

i. 1se the single step methane expression described in e!uation 2."
ii. Comment on you results

,epeat with propane fuel, C3#4 with - 0.. and - ../

i. 1se the single step methane expression described in e!uation 2."
ii. 1pdate your code to utili)e the 45step !uasi5global mechanism described in
e!uations #C.0 6 #C.4 and e!uations 2.3 6 2.6
iii. Comment on your results
. Constant !ressure Reactor Modeling
Turns *roblem 6.0.
3. "ell #tirred Reactor Modeling
Turns *roblem 6.04 or Turns *roblem 6.02 if you are interested in gas turbine engine combustors
$. !lug Flow Reactor Modeling
Turns *roblem 6.00
0
!roblems regarding sol%ing di&&erential e'uations:
0. 7 substance in solution, for example, can sugar, is decomposed in a chemical reaction into other
substances through the presence of acids, and the rate at which the reaction takes place is
proportional to the mass of sugar still unchanged8
( ) x a k
dt
dx
=
0
9here x is the amount of sugar converted in time t and a is the original amount of sugar. Find the
dependence of the sugar converted on time t.
". 7 certain compound : is formed by the combination of " parts of a chemical 1 with 3 parts of a
chemical 9. 9hen certain amounts of 1 and 9 are placed together, the rate at which : is
produced is constantly proportional to the product of the amounts of 1 and 9 that are still present
at that instant. ;etermine the amount of :, that is produced in time t, if 0.lb of 1 and 4lb of 9
are placed together at t-. and the amount of : at t-0 is "lb.
3. Consider a reaction in which substance 7 breaks down with rate constant k0 to form substance <
which in turn breaks down with rate constant k" to form substance C. ;etermine the concentration
of 7, <, and C for the following initial conditions8
( ) 0 . = > = = t A ( ) . . = > = = t B ( ) . . = > = = t C
4. 9hat is the 9ronskian matrix? #ow is it applicable to combustion problems involving coupled
@;s?
2. 1se %7TA7< to solve the following homogeneous linear system8
= > 6 = > = > /
= >
C B A
dt
A d
+ =
0
= > 0" = > 4 = > 0.
= >
C B A
dt
B d
+ = "
= > = > = > "
= >
C B A
dt
C d
+ =
3
1se the following boundary conditions8
( ) 0 . = > = = t A ( ) 0 . = > = = t B ( ) 0 . = > = = t C
"