Adiabatic flame temperature using air as oxidizer

University of Colorado Boulder

www.LearnChemE.com

DH= -0.10 = 0 for adabatic flame

T(K)
Tout 1480
Tfuel 298
Toxid 298
% excess air 100

Number of moles
stoichiometric moles in moles out
nCH4 1 1 0
nO2 2 4 2
nN2 7.52 15.05 15.05 Department of Chemical an
nCO2 1 0 1 University of Colorado Bould
A screencast demonstrating
nH2O 2 0 2 www.LearnChemE.com and

Methane oxidation: 𝐶𝐻_

kJ/mol stoichiometry kJ/mol ni*Hi
DHrxn DHrxn Heat capacity
-802.32 --- -802.32 -802.32
𝐶_(𝑃,𝑖)=𝐴_𝑖+𝐵_𝑖 𝑇+𝐶_𝑖 𝑇^
DHffuel -74.85 1 Hfuelin -0.004 0.004 where CP,i = heat capacity o
DHfO2 H in Ai, Bi, Ci, Di, and Ei are consta
0 2 O2 -0.005 0.019 valid over a specified tempe
DHfCO2 -393.51 1 H N2
in
-0.004 0.067
Heat of reaction
DHfH2O -241.83 2 HO2out 39.87 79.736 Δ𝐻_𝑟𝑥𝑛=Σ𝜈_𝑖 Δ𝐻_(𝑓,𝑖)=2Δ
HN2out Δ𝐻_(𝑓,𝐶𝑂2)−Δ𝐻_(𝑓,𝐶𝐻4)−
Heats of formation and heat of reaction 37.71 567.430 where Δ𝐻_𝑟𝑥𝑛 = heat of re
are at 298 K. H CO2
out
60.54 60.539 𝜈_𝑖 = stoichiometric coeffici
Δ𝐻_(𝑓,𝑖) = heat of formatio
HH2Oout 47.21 94.420 Heats of formation are at 29
DH= -0.1048
Energy balance
Δ𝐻=𝑄=0=𝑛_𝑓𝑢𝑒𝑙 Δ𝐻_𝑟𝑥𝑛
〖𝑛 _𝑁 〗 _2 〖𝐻 _𝑁 〗 _2
〖𝐻 _𝐶𝑂 〗 _2+𝑛𝐻_𝐻2𝑂 )
− 〖 ( 〖𝑛
_2 ) 〗 _𝑖𝑛−(𝑛_𝑓𝑢𝑒𝑙 𝐻_𝑓𝑢𝑒
Δ𝐻= 𝑛_𝑓𝑢𝑒𝑙 Δ𝐻_𝑟𝑥𝑛+Σ(𝑛_
∫_298^(𝑇_𝑖𝑛)▒ 〖𝐶 _𝑃 𝑑𝑇

where 𝑛_𝑖^𝑜𝑢𝑡 𝑖𝑠 𝑡ℎ𝑒 𝑚𝑜𝑙𝑒

T is the adiabatic flame tem
𝑓𝑒𝑑 𝑡𝑜 𝑡ℎ𝑒 𝑓𝑢𝑟𝑛𝑎𝑐𝑒
Tin is the feed temperature f
 − 〖 ( 〖𝑛
_2 ) 〗 _𝑖𝑛−(𝑛_𝑓𝑢𝑒𝑙 𝐻_𝑓𝑢𝑒
Δ𝐻= 𝑛_𝑓𝑢𝑒𝑙 Δ𝐻_𝑟𝑥𝑛+Σ(𝑛_
∫_298^(𝑇_𝑖𝑛)▒ 〖𝐶 _𝑃 𝑑𝑇

where 𝑛_𝑖^𝑜𝑢𝑡 𝑖𝑠 𝑡ℎ𝑒 𝑚𝑜𝑙𝑒

T is the adiabatic flame tem
𝑓𝑒𝑑 𝑡𝑜 𝑡ℎ𝑒 𝑓𝑢𝑟𝑛𝑎𝑐𝑒
Tin is the feed temperature f

The heat capacity equations

equations (each over the te
for each molecule. Outside
correct.

Note that this spreadsheet i

temperatures obtained with
CO, O2, and H2 . Thus, the ad
spreadsheet for pure oxyge
correct value.
 A B C D E F H
CPCH4 -0.70 108.5 -42.52 5.863 0.679 -76.84 -74.87
CPO2 31.32 -20.24 57.87 -36.51 -0.007 -8.903 0.0000
CPO2 30.03 8.773 -3.988 0.788 -0.742 -11.32 0.0000
CPO2 20.91 10.72 -2.020 0.146 9.246 5.338 0.0000
CPN2 28.99 1.854 -9.648 16.64 0.000 -8.672 0.0000
CPN2 19.51 19.89 -8.599 1.370 0.528 -4.935 0.0000
CPN2 35.52 1.129 -0.196 0.015 -4.554 -18.97 0.0000
CPCO2 25.00 55.19 -33.69 7.948 -0.137 -403.6 -393.5
CPCO2 58.17 2.720 -0.492 0.039 -6.447 -425.9 -393.5
CPH2O 30.09 6.833 6.793 -2.534 0.082 -250.9 -241.8
CPH2O 41.96 8.622 -1.500 0.098 -11.16 -272.2 -241.8
Department of Chemical and Biological Engineering This spreadsheet uses the equations for enthalpy in the NIST
University of Colorado Boulder webbook (webbook.nist.gov). These equations result from
A screencast demonstrating the use of this spreadsheet is available on integrating the heat capacity as a function of temperature,
www.LearnChemE.com and on www.Youtube.com/LearnChemE applying the limits, and then grouping terms into constants F
and H (where H is not enthalpy) so that enthalpy at a given
Methane oxidation: 𝐶𝐻_4+2𝑂_2=𝐶𝑂_2+2𝐻_2 𝑂 temperature is found using this equation:
𝐻_𝑇−𝐻_298=𝐴_𝑖 𝑇+(𝐵_𝑖 𝑇^2)/2+(𝐶_𝑖 𝑇^3)/3+ 〖𝐷 _𝑖
Heat capacity 𝑇 〗 ^4/4−𝐸_𝑖/𝑇 +𝐹−𝐻
𝐶_(𝑃,𝑖)=𝐴_𝑖+𝐵_𝑖 𝑇+𝐶_𝑖 𝑇^2+ 〖𝐷 _𝑖 𝑇 〗 ^3+𝐸_𝑖/𝑇^2 where T is in kelvin
where CP,i = heat capacity of component i (J/(mol K) where HT is enthalpy(kJ/mol) at temperature T(K)
Ai, Bi, Ci, Di, and Ei are constants for component i; these constants are only and H298 is enthalpy(kJ/mol) at 298 K.
alid over a specified temperature range Note that the spreadsheet uses an IF statement to pick which
set of constants to use (depending on the temperature range)
Heat of reaction
Δ𝐻_𝑟𝑥𝑛=Σ𝜈_𝑖 Δ𝐻_(𝑓,𝑖)=2Δ𝐻_(𝑓,𝐻2𝑂)+
Δ𝐻_(𝑓,𝐶𝑂2)−Δ𝐻_(𝑓,𝐶𝐻4)−2Δ𝐻_(𝑓,𝑂2)
where Δ𝐻_𝑟𝑥𝑛 = heat of reaction at 298 K
_𝑖 = stoichiometric coefficient
Δ𝐻_(𝑓,𝑖) = heat of formation (enthalpy of formation) of species i
Heats of formation are at 298 K

nergy balance
Δ𝐻=𝑄=0=𝑛_𝑓𝑢𝑒𝑙 Δ𝐻_𝑟𝑥𝑛+ 〖 ( 〖𝑛 _𝑂 〗 _2 〖𝐻 _𝑂 〗 _2+
〖𝑛 _𝑁 〗 _2 〖𝐻 _𝑁 〗 _2+ 〖𝑛 _𝐶𝑂 〗 _2
〖𝐻 _𝐶𝑂 〗 _2+𝑛𝐻_𝐻2𝑂 ) 〗 _𝑜𝑢𝑡
− 〖 ( 〖𝑛 _𝑂 〗 _2 〖𝐻 _𝑂 〗 _2+ 〖𝑛 _𝑁 〗 _2 〖𝐻 _𝑁 〗
2 ) 〗 _𝑖𝑛−(𝑛_𝑓𝑢𝑒𝑙 𝐻_𝑓𝑢𝑒𝑙 )_𝑖𝑛  
Δ𝐻= 𝑛_𝑓𝑢𝑒𝑙 Δ𝐻_𝑟𝑥𝑛+Σ(𝑛_𝑖^𝑜𝑢𝑡 ∫_298^𝑇▒ 〖𝐶 _𝑃 𝑑𝑇 〗 )−Σ(𝑛_𝑖^𝑖𝑛
∫_298^(𝑇_𝑖𝑛)▒ 〖𝐶 _𝑃 𝑑𝑇 〗 )

where 𝑛_𝑖^𝑜𝑢𝑡 𝑖𝑠 𝑡ℎ𝑒 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝑐𝑜𝑚𝑝𝑜𝑛𝑒𝑛𝑡 𝑖 𝑙𝑒𝑎𝑣𝑖𝑛𝑔 𝑡ℎ𝑒 𝑓𝑢𝑟𝑛𝑎𝑐𝑒

is the adiabatic flame temperature 𝑛_𝑖^𝑖𝑛 𝑖𝑠 𝑡ℎ𝑒 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝑐𝑜𝑚𝑝𝑜𝑛𝑒𝑛𝑡 𝑖
𝑓𝑒𝑑 𝑡𝑜 𝑡ℎ𝑒 𝑓𝑢𝑟𝑛𝑎𝑐𝑒
in is the feed temperature for each component fed to the furnace
 − 〖 ( 〖𝑛 _𝑂 〗 _2 〖𝐻 _𝑂 〗 _2+ 〖𝑛 _𝑁 〗 _2 〖𝐻 _𝑁 〗
2 ) 〗 _𝑖𝑛−(𝑛_𝑓𝑢𝑒𝑙 𝐻_𝑓𝑢𝑒𝑙 )_𝑖𝑛  
Δ𝐻= 𝑛_𝑓𝑢𝑒𝑙 Δ𝐻_𝑟𝑥𝑛+Σ(𝑛_𝑖^𝑜𝑢𝑡 ∫_298^𝑇▒ 〖𝐶 _𝑃 𝑑𝑇 〗 )−Σ(𝑛_𝑖^𝑖𝑛
∫_298^(𝑇_𝑖𝑛)▒ 〖𝐶 _𝑃 𝑑𝑇 〗 )

where 𝑛_𝑖^𝑜𝑢𝑡 𝑖𝑠 𝑡ℎ𝑒 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝑐𝑜𝑚𝑝𝑜𝑛𝑒𝑛𝑡 𝑖 𝑙𝑒𝑎𝑣𝑖𝑛𝑔 𝑡ℎ𝑒 𝑓𝑢𝑟𝑛𝑎𝑐𝑒

is the adiabatic flame temperature 𝑛_𝑖^𝑖𝑛 𝑖𝑠 𝑡ℎ𝑒 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝑐𝑜𝑚𝑝𝑜𝑛𝑒𝑛𝑡 𝑖
𝑓𝑒𝑑 𝑡𝑜 𝑡ℎ𝑒 𝑓𝑢𝑟𝑛𝑎𝑐𝑒
in is the feed temperature for each component fed to the furnace

he heat capacity equations are from https://webbook.nist.gov/ and several

quations (each over the temperature range indicated in column O) are used
or each molecule. Outside the indicated ranges, the heat capacities are not
orrect.

Note that this spreadsheet is only correct for air as the oxidant. At the higher
emperatures obtained with a pure oxygen feed, endothermic reactions form
CO, O2, and H2 . Thus, the adiabatic flame temperature calculated with this
preadsheet for pure oxygen as the oxidizer is significantly higher than the
orrect value.
 Ti(K)= 1800 TK 1800
Temperature Cp Cp
range (K) J/(mol K) kJ/(mol K)
298-1300 91.19 0.0912
100-700 -30.52 -0.0305
700-2000 37.27 0.0373
2000-6000 37.37 0.0374
100-500 98.08 0.0981
500-2000 35.59 0.0356
2000-6000 35.59 0.0356
298-1200 61.49 0.0615
1200-6000 59.70 0.0597
500-1700 49.65 0.0496
1700-6000 49.75 0.0498
tions for enthalpy in the NIST
These equations result from
a function of temperature,
ouping terms into constants F
) so that enthalpy at a given
equation:
+(𝐶_𝑖 𝑇^3)/3+ 〖𝐷 _𝑖

temperature T(K)
298 K.
an IF statement to pick which
ing on the temperature range).
CP
48.70
37.28
35.49
59.99
Adiabatic flame temperature calculation
n-Butane oxidation in 100% excess air exit moles Cp in J(mol K)
ni gas Ai Bi Ci
DHrxn -2657.0 kJ 5.0 H2O 29.163 0.0145 -2.02E-06
DH -0.91 kJ 6.5 O2 25.46 0.0152 -7.15E-06
Tflame(K) 1510 48.9 N2 28.883 -0.0016 8.08E-06
4.0 CO2 22.243 0.0598 -3.50E-05

SniAi SniBi SniCi

1813 0.3335 0.000199

Integral (J) 2196939 365390 226145

Use heat capacity values from Sandler thermo textbook. These heat capacity equations (J/(mol K)) are applicable from
273 to 1800 K
𝐶_(𝑃,𝑖)=𝐴_𝑖+𝐵_𝑖 𝑇+𝐶_𝑖 𝑇^2+ 〖𝐷 _𝑖 𝑇 〗 ^3

Σ(𝑛_𝑖^𝑜𝑢𝑡 ∫_298^𝑇▒ 〖𝐶 _𝑃 𝑑𝑇 〗 )=Σ𝑛_𝑖 𝐴_𝑖 (𝑇−298)+(Σ𝑛_𝑖 𝐵_𝑖)/2 (𝑇^2− 〖 298 〗 ^2 )+(Σ𝑛_𝑖 𝐶_𝑖)/3 (𝑇^3− 〖 298 〗 ^3
)+(Σn_i D_i)/4(T^4− 〖 298 〗 ^4)

Since one mole of n-butane fed to reactor

Δ𝐻= 〖 Δ𝐻 〗 _𝑟𝑥𝑛+Σ(𝑛_𝑖^𝑜𝑢𝑡 ∫_298^𝑇▒ 〖𝐶 _𝑃 𝑑𝑇 〗 )= 0 = sum of cells C4 and K12

Can use Solver to make DH (cell C5) equal to zero, but also easy to use the slider over cell D6 to vary the adiabatic flame
temperature (cell C6) by increments of 5 K until cell C5 is close to zero. The adiabatic flame temperature is not accurate
to 5 K.
 Di
0.00E+00
1.31E-09
-2.87E-09
7.46E-09

SniDi
-1.02E-07
Sum/1000 < Sum & convert from J to kJ)
-132388 2656.1 kJ

mol K)) are applicable from

_𝑖 𝐶_𝑖)/3 (𝑇^3− 〖 298 〗 ^3

to vary the adiabatic flame

emperature is not accurate