MAE 5310: COMBUSTION FUNDAMENTALS

Coupled Thermodynamic and Chemical Systems:

Well-Stirred Reactor (WSR) Theory
October 29, 2012
Mechanical and Aerospace Engineering Department
Florida Institute of Technology
D. R. Kirk

WELL-STIRRED REACTOR THEORY OVERVIEW

Well-Stirred Reactor (WSR) or Perfectly-Stirred Reactor (PSR) is an ideal reactor

in which perfect mixing is achieved inside the control volume
Extremely useful construct to study flame stabilization, NO x formation, etc.

APPLICATION OF CONSERVATION LAWS

Rate at which mass of i accumulates
within control volume

dmi ,cv
dt

Mass flow of i into control volume

Vm i m i ,in m i ,out
Mass flow of i out of control volume

Rate at which mass of i is

generated within control volume

m i i MWi
m i m Yi

Relationship between mass generation rate of a

species related to the net production rate

i MWiV m i Yi ,in Yi ,out 0

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APPLICATION OF CONSERVATION LAWS

i f X i cv , T f X i out , T
Yi

X i MWi

X MW

Conversion of molar concentration into mass fraction

(see slide 2)

j 1

Q m hout hin

Q m

Outlet mass fraction, Yi,out is equal

to the mass fraction within the reactor

So far, N equations with N+1 unknowns, need to close set

Application of steady-flow energy equation

Yi,out hi T Yi,in hi Tin

i 1

i 1

Energy equation in terms

of individual species

WSR SUMMARY

Solving for temperature and species mass fraction is similar to calculation of adiabatic flame
temperature (Glassman, Chapter 1)
The difference is that now the product composition is constrained by chemical kinetics
rather than by chemical equilibrium

WSR (or PSR) is assumed to be operating at steady-state, so there is no time dependence

Compared with the constant pressure and constant volume reactor models considered
previously
The equations describing the WSR are a set of coupled (T and species concentration)
nonlinear algebraic equations
Compared with constant pressure and constant volume reactor models which were
governed by a set of coupled linear, 1st order ODEs
Net production rate term, although it appears to have a time derivative above it, depends
only on the mass fraction (or concentration) and temperature, not time
Solve this system of equations using Newton method for solution of nonlinear equations

Common to define a mean residence time, res, for gases in WSR

V
m
PMWmix

RT

res

EXAMPLE 1: WSR MODELING

Develop a WSR model using same simplified chemistry and thermodynamic used in previous example
Equal constant cps, MWs, one-step global kinetics for C2H6
Use model to develop blowout characteristics of a spherical reactor with premixed reactants (C 2H6 and
Air) entering at 298 K. Diameter of reactor is 80 mm.
Plot at blowout as a function of mass flow rate for 1.0 and assume that reactor is adiabatic

P
m YF ,in YF kG MWV

RT

m YOx ,in YOx

1 YF YOx YPr

1.75

YF0.1 0.23YOx

A
P
kG MWV

F
RT
0

1.75

1.65

YF0.1 0.23YOx

1.65

h f , F YF YF ,in cP T Tin 0

Set of 4 coupled nonlinear algebraic equations with unknowns, YF, YOx, YPr, and T
Treat mass flow rate and volume as known parameters
To determine reactor blowout characteristic, solve nonlinear algebraic equations on previous slide for a
sufficiently small value of mass flow rate that allows combustion at given equivalence ratio
Increase mass flow rate until failure to achieve a solution or until solution yields input values
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EXAMPLE 1: RESULTS AND COMMENTS

Decreasing conversion of fuel to products as mass flow rate is increased to blowout condition
Decreased temperature as flow rate is increased to blowout condition
Mass flow rate for blowout is about 0.193 kg/s
Ratio of blowout temperature to adiabatic flame temperature is 1738 / 2381 = 0.73
Repeat calculations at various equivalence ratios generates the blowout characteristic curve
Reactor is more easily blown out as the fuel-air mixture becomes leaner
Shape of blowout curve is similar to experimental for gas turbine engine combustors

EXAMPLE 2: GAS TURBINE COMBUSTOR CHALLENGES

Based on material limits of turbine (Tt4), combustors must operate below

stoichiometric values
For most relevant hydrocarbon fuels, s~ 0.06 (based on mass)

Comparison of actual fuel-to-air and stoichiometric ratio is called equivalence

ratio
Equivalence ratio = = stoich
For most modern aircraft ~ 0.3

EXAMPLE 2: WHY IS THIS RELEVANT?

Most mixtures will NOT burn so far away from

stoichiometric
Often called Flammability Limit
Highly pressure dependent
Increased pressure, increased
flammability limit
Requirements for combustion, roughly > 0.8

Gas turbine can NOT operate at (or even near)

stoichiometric levels
Temperatures (adiabatic flame temperatures)
associated with stoichiometric combustion are
way too hot for turbine
Fixed Tt4 implies roughly < 0.5

What do we do?
Burn (keep combustion going) near =1 with
some of ingested air
Then mix very hot gases with remaining air to
lower temperature for turbine
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Compressor

Air

Turbine

SOLUTION: BURNING REGIONS

Primary
Zone
~0.3
~ 1.0
T>2000 K

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COMBUSTOR ZONES: MORE DETAILS

1. Primary Zone
Anchors Flame
Provides sufficient time, mixing, temperature for complete oxidation of fuel
Equivalence ratio near =1
2. Intermediate (Secondary Zone)
Low altitude operation (higher pressures in combustor)
Recover dissociation losses (primarily CO CO2) and Soot Oxidation
Complete burning of anything left over from primary due to poor mixing
High altitude operation (lower pressures in combustor)
Low pressure implies slower rate of reaction in primary zone
Serves basically as an extension of primary zone (increased res)
L/D ~ 0.7
3. Dilution Zone (critical to durability of turbine)
Mix in air to lower temperature to acceptable value for turbine
Tailor temperature profile (low at root and tip, high in middle)
Uses about 20-40% of total ingested core mass flow
L/D ~ 1.5-1.8
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EXAMPLE 2: GAS TURBINE ENGINE COMBUSTOR

Consider primary combustion zone of a gas turbine as a well-stirred reactor with volume
of 900 cm3. Kerosene (C12H24) and stoichiometric air at 298 K flow into the reactor, which
is operating at 10 atm and 2,000 K
The following assumptions may be employed to simplify the problem
Neglect dissociation and assume that the system is operating adiabatically
LHV of fuel is 42,500 KJ/kg
Use one-step global kinetics, which is of the following form

fuel

Ea
5 x10 exp
X fuel
RT
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X
0.25

1.5

ox

Ea is 30,000 cal/mol = 125,600 J/mol

Concentrations in units of mol/cm3

Find fractional amount of fuel burned,

Find fuel flow rate
Find residence time inside reactor, res
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EXAMPLE 2: FURTHER COMMENTS

Consider again the WSR model for the gas turbine combustor primary zone, however now
treat temperature T as a variable.
At low T, fuel mass flow rate and are low
At high T, is close to unity but fuel mass flow rate is low because the concentration
[F] is low ([F]=FP/RT), which reduces reaction rate
In the limit of =1, T=Tflame and the fuel mass flow rate approaches zero

For a given fuel flow rate two temperature solutions are possible with two different heat
outputs are possible

=1, kerosene-air mixture

V=900 cm3
P=10 atm

Q m f LHV
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EXAMPLE #3: HOW CHEMKIN WORKS

Detailed mechanism for H2 combustion

Reactor is adiabatic, operates at 1 atm, =1.0, and V=67.4 cm3
For residence time, res, between equilibrium and blow-out limits, plot T, H2O, H2, OH,
O2, O, and NO vs res.

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EXAMPLE #3: HOW CHEMKIN WORKS

Tflame and H2O concentration
drop as res becomes shorter
H2 and O2 concentrations rise
Behavior of OH and O
radicals is more complicated
NO concentration falls rapidly
as res falls below 10-2 s

Input quantities in CHEMKIN:

Chemical mechanism
Reactant stream constituents
Equivalence ratio
Inlet temperature and pressure
Reactor volume
res (1 ms ~ essentially equilibrated conditions)
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