FDS "Simple Chemistry" Stoichiometric Combustion

This software is provided as is, and no claim is made as to the accuracy or suitability of this
Component Input software. The user takes full and exclusive responsibility for using this software.
CX = 1.000000 Carbon Please report any errors to: support@thunderheadeng.com
HY = 1.700000 Hydrogen
OZ = 0.740000 Oxygen
NV = 0.002000 Nitrogen Reference: Chapter 13 of the FDS User Manual:
YCO = 0.004000 CO Yield
YS = 0.015000 Soot Yield Weights (g/mol)
XH = 0.100000 Soot H Frac WC = 12.01070
WH = 1.00794
HRR Input WO = 15.99940
Release per unit O2 = 1.31E+04 kJ/kg WN = 14.00670
Peak HRR wanted = 500 kW WO2 = 31.99880
WCO2 = 44.00950
Calculated Stoichiometric Coefficients WH2O = 18.01528
νO2 = 1.020627 WCO = 28.01010
νCO2 = 0.964679 This yields the following solution: WSoot = 10.91042
νH2O = 0.848241 WN2 = 28.01340
νCO = 0.003655 WFuel = 25.59177
νS = 0.035184
νN2 = 0.001000 Stoichiometric Coeff
νS = 0.03518438
Calculated Yields (mass product/mass fuel) Click the Derivations tab to view complete derivation. νCO = 0.00365465
YO2 = 1.276146
YCO2 = 1.658934 Matrix Unknown RHS Air Mass Fractions
YH2O = 0.597118 1.000000 0.000000 0.000000 0.000000 νCO2 0.964679 N= 7.630774E-01
YCO = 0.004000 0.000000 2.000000 0.000000 0.000000 νH2O 1.696482 O= 2.311814E-01
YS = 0.015000 2.000000 1.000000 0.000000 -2.000000 νN2 0.736345 CO2 = 5.919362E-04
YN2 = 0.001095 0.000000 0.000000 2.000000 0.000000 νO2 0.002000 H 2O = 5.149269E-03

Calculated Fuel Parameters Inverse Solution Air for 1 kg Fuel

Heat of Combustion = 1.6718E+04 kJ/kg 1.000000 0.000000 0.000000 0.000000 νCO2 = 0.964679 N= 1.094625E-03
Flow at Peak HRR = 2.9909E-02 kg/s 0.000000 0.500000 0.000000 0.000000 νH2O = 0.848241 CO2 = 1.658934E+00
0.000000 0.000000 0.000000 0.500000 νN2 = 0.001000 CO = 4.000000E-03
Check Mass Balance 1.000000 0.250000 -0.500000 0.000000 νO2 = 1.020627 H 2O = 5.971176E-01
Mass LHS = 2.2761E+00 Soot = 1.500000E-02
Mass RHS = 2.2761E+00

Combustion Process for 1 kg Fuel

Air Fuel Product Mass Fraction
(kg) (kg) (kg)
FUEL 0.000000 1.000000 0.000000 0.000000
N 4.212270 0.000000 4.213365 0.646211
O 1.276146 0.000000 0.000000 0.000000
CO2 0.003268 0.000000 1.662202 0.254935
CO 0.000000 0.000000 0.004000 0.000613
H2O 0.028425 0.000000 0.625542 0.095940
SOOT 0.000000 0.000000 0.015000 0.002301

Volume Fraction Calculator

Mass Vol
Volume
Fraction Fraction
FUEL 0.000000E+00 0.000000E+00 0.000000E+00
N2 8.270000E-01 2.952159E-02 8.420530E-01
O2 1.500000E-01 4.687676E-03 1.337080E-01
CO2 1.000000E-02 2.272237E-04 6.481168E-03
CO 5.000000E-03 1.785070E-04 5.091609E-03
H2O 8.000000E-03 4.440675E-04 1.266627E-02
SOOT 0.000000E+00 0.000000E+00 0.000000E+00
Total = 1.000000E+00 3.505906E-02 1.000000E+00
Here is an example problem from FDS, with the input followed by the *.out file data.
Version 2 Changes:
Thanks to Christofer Wickmark, Fire Engineer.

Changed labels in cells C14 and E14.

v1: Total HRR wanted = 500 kJ/s
v2: Peak HRR wanted = 500 kW

Fixed error in stoichiometric mass fraction calculation for H2O, cell D28.
v1: a(H2O)=nu_h2o_*(wh_+2*wo_)/wf_
v2: a(H2O)=nu_h2o_*(wh_*2+wo_)/wf_

Version 3 Changes:
The mass fraction calculation in v2 was not fixed correctly. Now it is correct.
v2: a(H2O)=nu_h2o_*(wh_+2+wo_)/wf_
v3: a(H2O)=nu_h2o_*(2*wh_+wo_)/wf_

Version 4 Changes:
Rederived all equations using matrix solution approach.
Added detailed derivation description.
Added mass fraction matrix for validation with FDS.

Version 4_01 Changes:

Corrected label on last row of the matrix to nu_O2

Version 4_02 Changes:

Updated the Air Mass Fractions to match the data printed in the FDS *.out file (these actual FDS values were slightly diff
Added the Volume Fraction Calculator.

Version 4_03 Changes:

Updated the Verification tab data to match the new air mass fractions.
tual FDS values were slightly different than those defined in FDS manual).