Problem Statement

Can Aspen HYSYS predict the composition of combustion gases?

Solution
By using the Gibbs reactor, Aspen HYSYS can predict the composition of exhaust gases resulting from
the combustion of fuel gas. For this, it is required to define the composition of the fuel gas, as well as the
expected combustion products, like CO, CO2, NOX, etc.
The Gibbs reactor calculates the outlet composition such that the phase and chemical equilibrium of the
outlet streams are attained. At equilibrium, Gibbs free energy of the reacting system is at a minimum and
is used to calculate the product mixture composition.
The Gibbs reactor in Aspen HYSYS is based on the chemical equilibrium theory that can be found in:
Smith, J.M., H.C. Van Ness and M.M. Abbot, Introduction to Chemical Engineering Thermodynamics, 5th
edition, McGraw-Hill, 1996. Chapter 12. Chemical Reactions.

For example, 1000 kg/h of fuel gas having the following composition:
CH4 = 80 mole%
C2H6 = 15 mole%
C3H8 = 5 mole%
With a 15% of excess air for combustion and keeping the reaction at 900oC, Aspen HYSYS predicts the
following composition:

Component Composition (mole %)

CH4 0.0

C2H6 0.0

C3H8 0.0

O2 2.52

N2 72.71

CO 0.0000003

CO2 8.85

NO 0.00583

NO2 0.000054

H2O 15.92

Enclosed to this solution there are two simulation examples, built in Aspen HYSYS 3.2 (S118546_32.hsc)
and Aspen HYSYS 2004.2 (S118546_20042.hsc).
Keywords
Combustion, Gibbs reactor, Reaction