COMPUTATION OF ADIABATIC FLAME TEMPERATURES

AND OTHER THERMODYNAMIC QUANTITIES

Charles K. Westbrook
Lawrence Livermore National Laboratory
Livermore, California, USA

The subject of chemical equilibrium is a

and complex scientific discipline, one
WhlCh has been examined in a multitude of books
and research papers. This brief paper cannot
attempt to present any survey of this entire
field. However, there are several narrower
issues which occur frequently in practical
analyses of chemical equilibrium of combustion
systems. A situation which often arises is
that of needing to predict the final product
temperature and chemical composition which
should be expected from the oxidation of a
given mixture of fuel and oxidizer. In the
discussions to follow, the techniques and
theory will be illustrated using either methane
(CH4) or natural gas as the fuel and
molecular oxygen as the oxidizer, but the
meth~ds are very general and can directly be
applled to other fuels, oxidizers and to
multiphase systems.
'
In many practical systems, combustion of
f~els such as natural gas takes place under '
elther constant pressure or effectively
constant volume conditions. An example of
constant pressure combustion is a common home
furnace or gas stove, both of which are open to
the atmosphere. In contrast, although the
volume of the combustion chamber in an internal
combustion engine is not constant throughout
the entire engine cycle, the combustion of
nearly all of the fuel-air mixture takes place
over a ~ery few degrees of crankangle motion,
so the lnternal combustion engine can often be
treated as a constant volume system. For
hydrocarbon fuels, constant volume conditions
provide higher product temperatures than
constant pressure combustion. Differences in
equilibrium temperature and pressure can result
in differences in equilibrium species
compositions as well. Therefore, analysis of
these two conditions, constant pressure and
constant volume, can provide information which
can be applied to the great majority of
combustion environments of practical concern.

Abst ract

va~t

The equilibrium final temperature and

composition of a given fuel-oxidizer mixture
have both theoretical and practical importance
for helping to understand the behavior of
combustion systems. Both are needed in order
to estimate levels of chemical pollutants such
as oxides of nitrogen (NO x), and the final
temperature is necessary to predict the
expected thermal efficiency and heating value
of a giv~n combu~tor. Knowledge of the ways
that varlOUS radlcal and stable intermediate
chemical species vary as operating conditions
are changed can also suggest system
modifications to improve overall performance.
In this paper, the methods available for
computing chemical equilibrium conditions such
as adiabatic flame temperatures will be
reviewed. The dependence of computed values on
available thermochemical data bases will be
demonstrated. Examples of equilibrium flame
temperatures and compositions for mixtures of
interest and importance in natural gas
combustion will be presented.

COMPUTATIONS OF CHEMICAL EQUILIBRIUM have

always been important parts of many combustion
and chemical engineering studies. In recent
years, there have been a number of different
developments which have significantly improved
the accuracy, reliability, speed, and cost of
these computations. In particular, the
thermodynamic data bases which are used have
been extended and made more accurate, and new
computational techniques have been derived
which make such calculations much easier and
require less time. Some of the most powerful
computer programs for computing equilibrium
conditions are even available in versions which
can execute on now-familiar microcomputers and
personal computers.
143

COMPUTER MODELS AND SOME THERMODYNAMICS

Oxides of nitrogen (NO x) present a

particularly important class of minor prod~ct
species in combustion. Because these specles,
especially NO and N02, combine with
atmospheric water to produce strong acids,
emissions of NO x from combustion systems must
be minimized wherever possible. At combustion
temperatures, most trace species such as OH, 0,
H02, and many others arrive at their
equilibrium concentrations very rapidly, often
over time scales of the order of milliseconds
or less. In contrast, production of NO and
N02 takes place over much longer time scales,
often as long as tenths of seconds.
Furthermore, as noted above, this time scale
for the production of NO x is very sensitive
to temperature. Therefore, if the temperature
history of the product gases can be controlled
to minimize the residence time at high
temperatures, then there will be insufficient
time for complete equilibration of the products
to produce significant amounts of NO x . An
equilibrium computation of the species
concentrations represents in this sense a
"worst case" of NO x produ ct i on.
From a chemical kinetic point of view,
equilibrium is achieved in a combustion system
when the net rate of every chemical reaction is
exactly zero. This means that the forward rate
of each reaction is equal to the reverse rate
of the reaction. From a thermodynamic point of
view, it also means that the appropriate work
function has a minimum value. For constant
pressure conditions, this is the Gibbs free
energy G, and for constant volume conditions it
is the Helmholtz free energy F. The two are
re 1ated by

During the combustion of a fuel such as

methane in air, the reactants are initially at
some reasonably low temperature, often room
temperature, prior to reaction. Burning these
reactants converts them to products and
liberates substantial amounts of heat, raising
the temperature of the products. The dominant
product species are water and carbon dioxide.
If these were the only products of methane or
natural gas combustion, then the evaluation of
the final temperature and composition of the
products would be a trivial exercise. However,
at the temperatures common to combustion
environments, substantial amounts of other
species also exist, such as carbon monoxide
(CO), trace species such as OH, H02, and
atoms including Hand 0. Furthermore, some of
the molecular nitrogen (N2) present in the
air is converted to various oxides of nitrogen
(NO x), including NO, N02, and N20. The
relative amounts of these minor constituents
vary with temperature, and some of the heat of
reaction is consumed in creating these trace
species. To compute the proper final
equilibrium temperature of a particular
reactive gas mixture, the existence and
relative concentrations of these minor species
must be correctly taken into account. As an
example of the size of the error which can
result from ignoring these minor products, if
methane and air are burned at room temperature
and atmospheric pressure, the correct product
temperature is found to be about 2220K, or
about 3537 of. If all of the product species
except C02 and H20 are neglected, the
computed product temperature is 2320K, or about
3717 of. The most important minor constituent
is usually CO, and if this species is included
in the final product distribution, then the
computed product temperature becomes 2250K, or
3591 of. Errors of as much as lOOK in product
temperature can lead to serious problems in
prediction of rates of production of NO x,
which are extremely sensitive to temperature,
so it is quite important to retain these minor
chemical constituents in the calculations of
equilibrium composition.
If it is assumed that all of the heat of
reaction goes into the product gases and none
of the heat is allowed to escape from the
closed system, then the combustion takes place
adiabatically. The final equilibrium product
temperature is properly designated as the
adiabatic flame temperature Tad only if the
process takes place under constant pressure
conditions. The final temperature at constant
volume will be somewhat higher than Tad.
This simple thermodynamic fact can best be seen
by thinking of constant pressure combustion as
a sequence of constant volume combustion
followed by an expansion of the product gases
back to the initial pressure. The product
gases will cool as they do work on their
surroundings to arrive at the initial pressure.

F =

P V

where P is the pressure and V is the specific

volume. The Gibbs free energy is defined as
G

L _~jnj

where _ ,lU~ is the chemical potential for

species j and nj refers to the mole fraction
of species j in the given gas mixture. The
mathematical process of minimizing G is
formally constrained by requiring that the
number of atoms of each type in the mixture
(e.g. C, 0, N, and H for hydrocarbon
combustion) be conserved. In most of the
methods for minimizing the free energy, these
constraints are included by means of the
technique of Lagrange multipliers [1,2J.
It is also possible in principle to
compute this equilibrium state in a dynamic
fashion, following the time evolution of the
system of chemical species in which the kinetic
rate equations have been included. If the
rates of the forward and reverse reactions have
been properly defined in terms of the relevant
equilibrium constants, then eventually the
interconnected set of species concentrations
will settle down to its own equilibrium at the

144

correct final temperature. This technique,

usually employed to examine chemical kinetics
processes in time-varying systems [3J,
integrates differential equations for the
concentration of each chemical species as they
change in time. The rate of each reaction is a
function of the temperature, total density, and
concentrations of other species that
participate in reactions. This, however, is
not a competitive computational technique for
computing equilibrium states, since it requires
considerably more computer time and more
complex numerical methods for its
implementation than the free energy
minimization methods. However, at equilibrium
the rates of the forward and reverse reactions
are equal, so it is possible to replace the
differential equations for the time rate of
change of each species concentration with a set
of simple algebraic equations for those species
concentrations. This makes the equations much
easier to solve, and by using equilibrium
reactions the formal conservation of each type
of atom is made automatic. This approach has
been used to calculate equilibria in large
multidimensional combustion programs [4J.
The primary thermochemical data used by
these programs are the heats of formation and
the specific heats of each of the chemical
species involved. The specific enthalpy H for
a given species is generally expressed as a
function of temperature through the specific
heat Cp
T

Of course, the entire approach is only as

good as the basic thermodynamic data being
used. For the small molecules treated by the
JANAF tables, the most recent tables are quite
reliable, although earlier JANAF versions for
some species have changed considerably as more
experimental analysis has been done. For
larger molecules and for many radical species,
specific heats and heats of formation are not
as well known and uncertainties in equilibrium
product distributions and temperatures are
certainly possible.
For organizations and individuals who wish
to carry out the types of calculations already
described (and illustrated below), many of the
best computer programs for equilbrium
conditions are available to the general public.
The original program of Gordon and McBride [lJ
from NASA and the program developed by Reynolds
[2J at Stanford can be purchased and can even
be run on personal computers, while an
adaptation of Reynolds' program has been
integrated into the widely used CHEMKIN [7J
family of combustion modeling programs
developed by Sandia Laboratories. Those
interested in obtaining such programs should
contact the authors of these codes for further
information.
To summarize this section of the topic,
computations of chemical equilibrium require
two major elements. The first of these is a
numerical model which can solve the relevant
equilibrium equations. Such a code can solve
time-dependent kinetics equations, algebraic
equilibrium relations, or use a free energy
minimization technique. In principle, any
method should arrive at the same solution,
although the computer time and cost
requirements of each technique can be widely
different, and the most commonly used technique
is that of free energy minimization. The
second major element is the basic thermodynamic
data set which is used by the computer model,
and all common models use basically the same
thermodynamic data set. It is quite important
to include in the equilibrium computation all
chemical species which may be present at
equilibrium above a certain threshold level,
since omission of species such as CO and H2
can result in significant errors in computed
equilibrium temperatures.

W(T)

W(Tref)

SCpdT
I,-.z.\-

where Tref is conventionally 298K or room

temperature. For virtually every chemical
species of interest to combustion, the specific
heat is a complicated function of temperature
itself. A common procedure, particularly when
only a rough estimate of the final state is
needed, is to assume that the specific heat is
constant over the temperature range of
interest, so the above integral can be replaced
by the ex~ession

SC

p dT

Cp (T - Tref).

T .. :a.~

Again, this approach can result in errors of

the order of lOOK in the product temperatures.
The ' most useful compilations of heats of
formation and specific heats as functions of
temperature are the JANAF tables [5J, which
have been assembled and revised over the past
25 years. Other sources of thermochemical data
useful for combustion computations have been
reviewed recently by Burcat [6J. For use in
computer codes, these data are generally fit to
polynomial expressions in temperature, so that
the repeated integrations of specific heat over
temperature can be carried out very
efficiently. Errors introduced into the
product temperatures by this fitting procedure
are negligibly small in most cases.

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

method [2J as adapted by Kee and co-workers at

Sandia [7J, the adiabatic flame temperature is
calculated to be 3528F at atmospheric
pressure. The chemical species concentrations
at this final state are listed in order of
concentration in the first column below

Using the same computer model as used

earlier, we can compute the adiabatic flam:
temperature and product species concentratlons
for methane-air mixtures initially at
atmospheric temperature and pressure. The
results for the temperature and some
illustrative species concentrations are shown
in Figures 1-3.

~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...

with all other species such as H02, N02,

N20, and H202 less than 1 ppm (mole
fraction of less than 1.0 x 10- 6 ). If we
repeat the same calculation but assume that the
only possible products are N2, C02, H20,
and 02, the adiabatic flame temperature is
then found to be 2318K or 3713 of, with the
composition shown in the second column of the
above table. The third column shows the
computed results when CO is added to the
product list, and the fourth column shows the
results when H2 is then included.
Comparisons of these results with the complete
list in the first column above indicate that
the greatest improvement comes from inclusion
of CO, which is the most important minor
product, but that the changes resulting from
consideration of the other species are still
quite noticeable.
Using the above reference case for
comparison, we can now address the influences
of variations in three common operating
parameters on adiabatic flame temperature and
equilibrium composition, with NO noted in
particular. These basic parameters are the
fuel-air equivalence ratio ~, the amount of
excess oxygen, and the preheat temperature of
the air. We will treat these quantities as
independent parameters, although in practice
they are often used together to fit a
particular need for a given combustor.

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-----~--~

EQUIVALENCE RATIO - The most important quantity

that changes with ~ is the adiabatic flame
temperature, reaching a maximum value for
equivalence ratios close to stoichiometric
(~ = 1).
Because most combustion reactions
depend quite strongly on temperature [3J, the
overall combustion rate and related quantities
like the flame speed also are found to reach
maximum values for ~ = 1. Similarly, the
equilibrium concentrations of most of the
radical species generally are greatest near
stoichiometric.

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.

As already noted, the peak values of

temperature and the important radical species
such as 0, OH, H, and H02 lie close to
stoichiometric. There are some shifts in peak
values with equivalence ratio; for example, the
H atom concentration peaks at ~ = 1.1, and
146

the H02 has a maximum near ~ = 0.9. Both of

these features are the result of a combination
of two factors, the high temperatures near
stoichiometric favoring large radical

This sequence, termed the Zeldovich mechanism,

proceeds very slowly at low temperatures, since
a great deal of thermal energy is required to
break the very strong N=N bond in N2. The
rate of reaction (I) is given [BJ by

(')

10
...-4

4.0,------------------,

k =7.6 x 10 13 exp{-3BOOO/T) cm 3mol- 1s- 1

where T is the temperature in degrees Kelvin.
This rate is nearly a factor of 10 greater for
the temperature of about 2226K at ~ = 1.0 than
for T = 1997K at ~ = O.B. Therefore, even
though the equilibrium level of NO is more than
50% higher at ~ = O.B than at ~ = 1.0, the rate
of attaining that equilibrium level is very
much slower at ~ = O.B. For typical residence
times in practical combustion systems, most
often the best strategy for limiting NO x
production is to reduce the equivalence ratio
and thereby lower the rate of NO production.
This is a good example of a situation in which
the computation of the adiabatic flame
temperature and the equilibrium composition
actually provides a somewhat misleading result.
Rather than rely on equilibrium considerations
to limit NO x emissions, dynamic
considerations are generally more important in
predictions of NO x production.

3.0
~

0
.....
..,.;
()

ct1
~
c.....

OH

2.0

Q)

::;E

1.0

..........
0.4

0.6

0.8

1.2

1.4

1.6

Equi valence ratio

Figure 3
Selected species concentrations at equilibrium,
plotted as functions of equivalence ratio.

EXCESS OXYGEN - For the above computations, the

oxidizer was "real" air in each case, in which
the ratio of molecular nitrogen to oxygen was
3.76. A technique which can be used to
increase the product temperatures is to add
further molecular oxygen to the air. Since the
addition of only oxygen will result in an
overall lean mixture, this process usually
includes addition of further fuel as well,
keeping the ratio of fuel to oxygen fixed.
To examine the influence of excess oxygen
in the oxidizing gas, a series of adiabatic
flame temperature computations was carried out.
The fuel was assumed to be methane, and the
ratio of methane to 02 was held fixed at 1:2
while the ratio of N2 to 02 was reduced
from 3.76 to zero. The pressure is
atmospheric, and the reactants are initially at
room temperature. The results of these
calculations are shown in Figures 4-6, plotted
as functions of percent 02 in the oxidizer.
Initially, the addition of more fuel and
02 produce a rapid increase in the adiabatic
flame temperature from about 3500F at normal
air composition to almost 4500F when the 02
fraction is doubled. After the 50% 02 point
the increase in Tad is quite slow, indicating
that the addition of more 02 is not very
effective in producing higher temperatures.
This type of curve, in combination with
economic factors concerning the cost of 02
addition to the air stream, is easily used to
estimate the optimum amount of 02 enrichment
to be employed for a particular application.

concentrations, and the availability or lack of

as equivalence ratio change. Note also
that as equivalence ratio increases, the
equilibrium levels of incompletely oxidized
intermediate s'pecies such as H2 and CO
increases dramatically. The concentrations of
both H2 and CO exceed B% of the total mixture
for ~ = 1.5 which is near the rich flammability
limit for methane at atmospheric temperature
and pressure. Neglecting these species in
computations of adiabatic flame temperature
would therefore be especially inaccurate for
fuel-rich mixtures.
It is particularly interesting to see the
manner in which the equilibrium NO level varies
with equivalence ratio, reaching its maximum
value for ~ = 0.B5, in spite of the
significantly lower temperature than at ~ = 1.
This is a result of the significantly higher a
atom and 02 concentrations at lean conditions
than for richer mixtures. This suggests that
NO x levels should be greatest for fuel-lean
mixtures in most combustion systems burning
methane or natural gas in air. However, the
peak equilibrium values are only half of the
story.
The rate of formation of NO in high
temperature flames depends strongly on the rate
of the reaction
a + N2
NO + N
(I)

a atoms

The N atom then is available to produce more NO

by the reaction
N + 02
NO + a
(2)

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

...../

...........

temperature than to concentration, the overall

result provides more partially oxidized
products than completely oxidized species.
Note also that the NO level increases
rapidly with 02 enrichment, due exclusively
to the increased product temperature. In this
case, the attainment of these higher
equilibrium NO concentrations will also be
faster as the 02 enrichment is increased.
The sharp drop in NO level at very large 02
enrichment levels is a result of the way the
computations were done; at 100% 02 in the
oxidizer, there is no molecular nitrogen in the
lIairll, so no NO or NO x can be produced .

... --.,.:.'

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.,~

-'- '- '

AIR PREHEAT - In many practical systems the

oxidizing air stream can be heated prior to
mixing with the fuel to provide higher product
temperatures. A series of adiabatic flame
temperature and equilibrium computations was
carried out to examine this issue. The
pressure was held fixed at atmospheric, and the
air preheat temperature was varied from zero
(i.e. room temperature air) to 2000F. The
results of these computations are plotted in
Figures 7-9. The final temperature increases
steadily with air preheat temperature. This
could be expected because for these mixtures
the ratio of air to fuel is constant at 5.76/1,
so the reactant mixtures are predominantly air.
Because of the steady temperature rise, the
levels of all of the incompletely oxidized
species and radicals also increase with air
preheat temperature. Furthermore, the NO level
increases steadly with air preheat as well, and
again the production rate of NO and its rate of
attaining that equilibrium level will also
increase with air preheat temperature.

/,,' /
.___'
.--.--.--.

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

common computer systems in general use. The

acquisition and implementation of these
programs by industrial, research, and other
organizations is highly recommended.
ACKNOWLEDGMENT
This work was supported by the Gas
Research Institute and was performed under the
auspices of the U.S. Department of Energy by
the Lawrence Livermore National Laboratory
under contract No. W-7405-ENG-48.
REFERENCES
Gordon, S., and McBride, B.J., "Computer
Program for Calculation of Complex Chemical
Equilibrium Compositions, Rocket Performance,
Incident and Reflected Shocks, and
Chapman-Jouguet Detonations", National
Aeronautics and Space Administration report
NASA SP-273, 1971.

1.

2. Reynolds, W.C., STANJAN Interactive

Computer Programs for Chemical Equilbirium
Analysis, Stanford University, 1981.
3. Westbrook, C.K., and Dryer, F.L., "Chemical
Kinetics Modeling of Hydrocarbon Combustion",
Progress in Energy and Combustion Science 10, 1
(1984).
--4. Meintjes, K., and Morgan, A.P.,
"Performance of Algorithms for Calculating the
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