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
nCO2 1 0 1
nH2O 2 0 2 Department of Ch
University of Colo
A screencast dem
kJ/mol stoichiometry kJ/mol ni*Hi www.LearnChem
DHrxn -802.32 --- DHrxn -802.32 -802.32 Methane oxidatio
DHffuel -74.85 1 Hfuel in
-0.004 0.004 Heat capacity
DHfO2 0 2 H O2
in
-0.005 0.019 𝐶_(𝑃,𝑖)=𝐴_𝑖+𝐵_
DHfCO2 -393.51 1 H in
-0.004 0.067 where CP,i = heat
N2
Ai, Bi, Ci, Di, and E
DHfH2O -241.83 2 HO2out 39.87 79.736 valid over a speci
Heats of formation and heat of reaction H N2
out
37.71 567.430 Heat of reaction
are at 298 K. H CO2
out
60.54 60.539 Δ𝐻_𝑟𝑥𝑛=Σ𝜈_𝑖 Δ𝐻
Δ𝐻_(𝑓,𝐶𝑂2)−Δ𝐻
H H2O
out
47.21 94.420 where Δ𝐻_𝑟𝑥𝑛 =
DH= -0.1048 𝜈_𝑖 = stoichiome
Δ𝐻_(𝑓,𝑖) = heat
Heats of formatio

Energy balance
Δ𝐻=𝑄=0=𝑛_𝑓𝑢
_𝑁 〗 _2+ 〖𝑛 _𝐶𝑂
−
〖𝐻 _𝑁 〗 _2 ) 〗
Δ𝐻= 𝑛_𝑓𝑢𝑒𝑙 Δ𝐻_
∫_298^(𝑇_𝑖𝑛)▒

where 𝑛_𝑖^𝑜𝑢𝑡 𝑖
T is the adiabatic
𝑓𝑒𝑑 𝑡𝑜 𝑡ℎ𝑒 𝑓𝑢𝑟𝑛
Tin is the feed tem
 −
〖𝐻 _𝑁 〗 _2 ) 〗
Δ𝐻= 𝑛_𝑓𝑢𝑒𝑙 Δ𝐻_
∫_298^(𝑇_𝑖𝑛)▒

where 𝑛_𝑖^𝑜𝑢𝑡 𝑖
T is the adiabatic
𝑓𝑒𝑑 𝑡𝑜 𝑡ℎ𝑒 𝑓𝑢𝑟𝑛
Tin is the feed tem

The heat capacity

equations (each o
for each molecule
correct.

Note that this spr

temperatures ob
CO, O2, and H2 . T
spreadsheet for
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
University of Colorado Boulder webbook (webbook.nist.gov). These
A screencast demonstrating the use of this spreadsheet is available on integrating the heat capacity as a fun
www.LearnChemE.com and on www.Youtube.com/LearnChemE applying the limits, and then groupin
and H (where H is not enthalpy) so th
Methane oxidation: 𝐶𝐻_4+2𝑂_2=𝐶𝑂_2+2𝐻_2 𝑂 temperature is found using this equa
𝐻_𝑇−𝐻_298=𝐴_𝑖 𝑇+(𝐵_𝑖 𝑇^2)/2+(𝐶_
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 temp
Ai, Bi, Ci, Di, and Ei are constants for component i; these constants are only and H298 is enthalpy(kJ/mol) at 298 K
valid over a specified temperature range Note that the spreadsheet uses an IF
set of constants to use (depending o
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
𝜈_𝑖 = stoichiometric coefficient
Δ𝐻_(𝑓,𝑖) = heat of formation (enthalpy of formation) of species i
Heats of formation are at 298 K

Energy 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

T is the adiabatic flame temperature 𝑛_𝑖^𝑖𝑛 𝑖𝑠 𝑡ℎ𝑒 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝑐𝑜𝑚𝑝𝑜𝑛𝑒𝑛𝑡 𝑖
𝑓𝑒𝑑 𝑡𝑜 𝑡ℎ𝑒 𝑓𝑢𝑟𝑛𝑎𝑐𝑒
Tin 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

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

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

equations (each over the temperature range indicated in column O) are used
for each molecule. Outside the indicated ranges, the heat capacities are not
correct.

Note that this spreadsheet is only correct for air as the oxidant. At the higher
temperatures obtained with a pure oxygen feed, endothermic reactions form
CO, O2, and H2 . Thus, the adiabatic flame temperature calculated with this
spreadsheet for pure oxygen as the oxidizer is significantly higher than the
correct 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

preadsheet uses the equations for enthalpy in the NIST

ook (webbook.nist.gov). These equations result from
ating the heat capacity as a function of temperature,
ing the limits, and then grouping terms into constants F
(where H is not enthalpy) so that enthalpy at a given
erature is found using this equation:
𝐻_298=𝐴_𝑖 𝑇+(𝐵_𝑖 𝑇^2)/2+(𝐶_𝑖 𝑇^3)/3+ 〖𝐷 _𝑖
^4/4−𝐸_𝑖/𝑇 +𝐹−𝐻

e HT is enthalpy(kJ/mol) at temperature T(K)

298 is enthalpy(kJ/mol) at 298 K.
that the spreadsheet uses an IF statement to pick which
constants to use (depending 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

ol K)) are applicable from

𝐶_𝑖)/3 (𝑇^3− 〖 298 〗 ^3 )+

to vary the adiabatic flame

mperature is not accurate