Abst ract
va~t
F =
P V
L _~jnj
144
W(T)
W(Tref)
SCpdT
I,-.z.\-
SC
p dT
Cp (T - Tref).
T .. :a.~
SOME EXAMPLES
Let us consider first a reference or
baseline set of initial conditions to
illustrate the types of information which can
be obtained by thermodynamic equilibrium
models. This is a mixture of natural gas and
air, in which the fuel is defined to consist of
90% CH4, 5% C2H6~ with a 5% impurity
level of N2. The air is a mixture of oxygen
and nitrogen, with N2/02 = 3.78. All of
the gases are assumed to be initially at
atmospheric pressure and 60F. Using Reynolds'
145
~S~pe~c~i~e~s__~F~u~l~l_l~i~s~t~S~h~o~r~t_l~i~s~t__~C~O____~H2_
0.71212
0.18010
0.08629
0.00859
0.00439
0.00342
0.00265
0.00189
0.00036
H
0.00020
o
Temp (0 K) 2220
N2
H2 0
C02
CO
02
H2
OH
NO
0.71812
0.18633
0.09555
0.71450
0.18539
0.08499
0.01008
0.00504
0.71378
0.18177
0.08631
0.00863
0.00605
0.00343
2500~----------------------------~
:>
......
2000
1500
Q)
s...
2318
2252
2240
1000
s...
Q)
0..
S
Q)
500
E-<
O~--~----~----~--~----r---~
0.4
0.6
0.8
1.2
1.4
1.6
Eq ui valence ratio
Fi gu re 1
Adiabatic flame temperature as a function of
fuel-air equivalence ratio for mixtures
initially at room temperature and pressure.
0.20 -r------------------------------,
0.15
~
+oJ
C,)
ro
s...
0.10
co
...... _ 2
......
Q)
......
..........
::E
......
0.05
...../.
/'
Ccy' ............
,
.-/
0.00 +-----,.--~...a...::.--,------r-----~--~
0.4
0.6
0.8
1.2
1.4
1.6
Eq ui valence ratio
Fi gu re 2
Selected species concentrations at equilibrium,
plotted as functions of equivalence ratio.
(')
10
...-4
4.0,------------------,
3.0
~
0
.....
..,.;
()
ct1
~
c.....
OH
2.0
Q)
::;E
1.0
..........
0.4
0.6
0.8
1.2
1.4
1.6
a atoms
147
0.10
3200
OH .....
C
3000
.....'
0.08
;>
......../
...-4
(l)
2800
.~
+oJ
c...l
(l)
~
C\1
to-.
(l)
...-4
C\1
~
S
E-
0.02
2200
20
80
60
40
Percent 02
100
0.3
0
.~
+oJ
c...l
0.2
(l)
CO
...-4
CO
0.1
.. ~
......
....
.:......
"-, H
...../
...........
... --.,.:.'
Figure 6
Selected species concentrations at equilibrium,
plotted as functions of oxygen content in the
oxygen-nitrogen mixture.
Figure 4
Adiabatic flame temperature as a function of
oxygen content in the oxygen-nitrogen mixture
for stoichiometric methane-oxygen mixtures
initially at room temperature and pressure.
0.4 - r - - - - - - - - - - - - - - - - - ,
C\1
/'
0.00 -+---......,....=-----.----...----.------4
20
40
60
80
o
100
Percent 02
2000
to-.
0.04
2400
~
(l)
2600
+oJ
(l)
0.06
..
.. 7.,~
/,,' /
.___'
.--.--.--.
H2
?-0.0 -+---~---..-----.-----...-----I
o
20
40
60
80
100
Percent 02
Figure 5
Selected species concentrations at equilibrium,
plotted as functions of oxygen content in the
oxygen-nitrogen mixture.
In the plots of species equilibrium
concentrations, note that the minor
constituents such as CO, H2 and 02 all rise
with 02 enrichment. As the percentage of
02 is increased, the equilibria should shift
towards C02 and H20 and away from CO and
H2, based simply on the Law of Mass Action.
However, since the temperature of the products
is also increasing, and the position of the
equilibrium is even more sensitive to
148
4500,-----------------------------~
0.020 -,------------------------------,
I
Q)
0.015
f..4
.3
ro
.-
4000
+oJ
f..4
C)
Q)
ro
f..4
c......
Q)
Q)
NO
.-.
+oJ
+oJ
0.010
3500
::;E
C)
~
"'0
0.005
0...
3000~------._------~------~----~
500
1000
Air temperature
0.000 -+-------~------,.....---------r-------I
1500
2000
o
500
1000
2000
1500
............
.................
........................ H
f..4
degrees F
Air temperature
Fi gu re 7
Adiabatic flame temperature as a function of
air preheat temperature for stoichiometric
methane-air mixtures at atmospheric pressure,
with the fuel initially at room temperature.
degrees F
Fi gu re 9
Selected species concentrations at equilibrium,
plotted as functions of air preheat temperature
in stoichiometric methane-air mixtures.
0.20 -,------------------------------.....
SUMMARY
These examples of adiabatic flame
temperature and chemical equilibrium
composition calculations serve to illustrate
several major points. First, the results of
such parameter studies provide a significant
amount of useful information concerning
combustion properties of practical systems. In
industries where the accurate prediction of
product species concentrations, pollutant
emission levels, and operating temperatures is
important, there is a continuing need for
computational capabilities of this type.
The specific examples used here are not
revolutionary; in fact, those industries which
need such information already use data of this
type every day in normal operation. However,
the present paper points out the need for
continual updating of the thermochemical data
base upon which these computations depend.
Another point made was that the equilibrium
data alone are insufficient to predict some
combustor properties such as NO x emission,
since the rate of attaining equilibrium is
another variable that may not be related to the
equilibrium properties themselves.
Finally, the current state-of-the-art
computer programs for calculating adiabatic
flame temperatures, equilibrium compositions,
and many other useful thermochemical quantities
that this paper has not had the time or space
to discuss, are easily obtained, are generally
quite simple and convenient to use, and can
even be run on personal computers and other
0.15
~
o
......
+oJ
C)
ro
t:
0.10
..................................
Q)
.-.
.....
::s
. ......... .
0.05
-- __ - - - - - -
-----CO
0.00 -+-------~------~-------r--------I
o
500
1000
2000
1500
Air temperature
degrees F
Figure 8
Selected species concentrations at equilibrium,
plotted as functions of air preheat temperature
in stoichiometric methane-air mixtures.
149
1.
150