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Combustion Lessons - Ch5 (Ed6)
Combustion Lessons - Ch5 (Ed6)
Assuming ideal-
gas behavior,
i.e., hi =
hi(T only),
System Volume
𝑚 𝑚 𝑚 σ 𝑚𝑗 σ 𝑁𝑗 𝑀𝑊𝑗
𝑉 𝑡 =
𝜌 𝑇
= σ 𝑋𝑗 𝑀𝑊 ; 𝜌 = 𝑉
= 𝑉
= 𝑉
= σ 𝑋𝑗 𝑀𝑊𝑗
𝑗
(algebraic not differential eqn.)
y k global y
C x H y x O2 xCO2 H 2O
4 2
d Cx H y E
A exp a
C H m O n
dt RT x y 2
Empirical
𝑦 𝑘𝐺 𝑦
𝐶𝑥 𝐻𝑦 + 𝑥 + 𝑂2 𝑥𝐶𝑂2 + 𝐻2 𝑂
4 2
o stoichiometric mixture with 𝑂2 , not air
𝑑 𝐶𝑥 𝐻𝑦 𝐸𝑎 Τ𝑅𝑢 𝑚 𝑛 𝑔𝑚𝑜𝑙𝑒
𝑑𝑡
= −𝐴𝑒𝑥𝑝 𝑇
𝐶𝑥 𝐻𝑦 𝑂2 = 𝑐𝑚3 𝑠
o Page 157, Table 5.1: 𝐴, 𝐸𝑎 Τ𝑅𝑢 , 𝑚 𝑎𝑛𝑑 𝑛 for different fuels
These values are based on flame speed data fit (Ch 8)
𝑔𝑚𝑜𝑙𝑒 1−𝑚−𝑛
𝑔𝑚𝑜𝑙𝑒 𝑔𝑚𝑜𝑙𝑒 − 𝑚+𝑛 𝑐𝑚3
o In Table 5.1 units for 𝐴 = =
𝑐𝑚3 𝑠 𝑐𝑚3 𝑠
1 𝑘𝑚𝑜𝑙𝑒 1−𝑚−𝑛
o However, we often want 𝐴 in units of
𝑠 𝑚3
1−𝑚−𝑛
1 𝑔𝑚𝑜𝑙𝑒 1−𝑚−𝑛 𝑘𝑚𝑜𝑙𝑒 100 𝑐𝑚 3 1 𝑔𝑚𝑜𝑙𝑒 1−𝑚−𝑛 1−𝑚−𝑛
3 = 1000
𝑠 𝑐𝑚 1000 𝑔𝑚𝑜𝑙𝑒 𝑚 𝑠 𝑐𝑚3
1 𝑘𝑚𝑜𝑙𝑒 1−𝑚−𝑛
= 𝑠 𝑚3
𝑉𝐵𝐷𝐶 𝛾−1 • 𝑂𝑥 =
1 𝑃
o 𝑇0 = 𝑇𝐵𝐷𝐶 𝑉 = 300𝐾 10 0.4 = 754 𝐾 0 𝜙
𝐴Τ𝐹 𝑠𝑡
+1 𝑅𝑢 𝑇
𝑇𝐷𝐶
𝑉𝐵𝐷𝐶 𝛾 • 𝐹𝑢 =
1 𝑃
o 𝑃0 = 𝑃𝐵𝐷𝐶 𝑉 = 101.3𝑘𝑃 10 1.4 = 2545 𝑘𝑃 0
1+
𝐴Τ𝐹 𝑠𝑡
𝜙
𝑅𝑢 𝑇
𝑇𝐷𝐶
Species Production
o Assuming 𝑂2 = 0.21 𝐴𝑖𝑟 = 0.21 𝑂𝑥 (only true initially since 𝑁2 is not
consumed)
𝑑 𝐹𝑢 9 𝑒𝑥𝑝 −15098𝐾 0.1 1.65
o
𝑑𝑡
= 𝜔ሶ 𝐹𝑢𝑒𝑙 = −6.186 ∗ 10 𝑇
𝐹 0.21 𝑂𝑥
𝑑 𝑂𝑥
o = 𝜔ሶ 𝑂𝑥 = 𝐴Τ𝐹 𝑠𝑡 𝜔ሶ 𝐹𝑢𝑒𝑙 = 16𝜔ሶ 𝐹𝑢𝑒𝑙
𝑑𝑡
𝑑 𝑃𝑟
o = 𝜔ሶ 𝑃𝑟𝑜𝑑 = − 𝐴Τ𝐹 𝑠𝑡 + 1 𝜔ሶ 𝐹𝑢𝑒𝑙 = −17𝜔ሶ 𝐹𝑢𝑒𝑙
𝑑𝑡
1st Law
𝑄ሶ ഥ𝑗 𝜔ሶ 𝑗 +𝑅𝑢 𝑇
𝑑𝑇 −σ ℎ σ 𝜔ሶ 𝑗 ഥ𝐹𝑢𝑒𝑙 𝜔ሶ 𝐹𝑢𝑒𝑙
−ℎ 𝑘𝑃𝑚3 𝜔ሶ 𝐹𝑢𝑒𝑙 𝑇
𝑉
o = σ 𝑗 𝑐𝑝,𝑗
ҧ −𝑅𝑢
= 𝑃 = −364,184
𝑑𝑡 ҧ −𝑅𝑢
𝑐𝑝 𝑘𝑚𝑜𝑙 𝑃
𝑅𝑢 𝑇
Pressure Rate of change (affects detonation)
𝑃 𝑁𝑅𝑢 𝑃0 𝑑𝑃 𝑃0 𝑑𝑇
o
𝑇
= 𝑉
= 𝑇0
; 𝑑𝑡
= 𝑇0 𝑑𝑡
dt [sec] phi t [sec] [Fuel] [Oxidizer] [Products] T P [kPa] d[F]/dt d[Ox]/dt d[Pr]/dt dT/dt [K/s] dP/dT
1.00E-07 1 0 0.023888 0.382206 0 753.5659 2544.541 -0.13195 -2.11122 2.243168 14231.31 48054.4
1.00E-07 2.39E-02 3.82E-01 2.24E-07 7.54E+02 2.54E+03 -0.13196 -2.11129 2.243251 14231.84 48056.17
2.00E-07 2.39E-02 3.82E-01 4.49E-07 7.54E+02 2.54E+03 -0.13196 -2.11137 2.243333 14232.36 48057.94
Starting point
Make sure [Fu] and [Ox] are ≥ 0 (use MAX(0,value) function in Excel)
Make your Excel;
Φ = 0.1
Products
Oxidizer
Fuel
30
A. Mardani, Combustion (Ch5), 2020, Sharif U. T.
Oxidizer
Products
Fuel
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A. Mardani, Combustion (Ch5), 2020, Sharif U. T.
Example Results And Comments
Temperature increases only about 200 K in first 3 ms, then T rises extremely rapidly to
adiabatic flame temperature, Tad ~ 3300 K, in less than 0.1 ms
This rapid temperature rise and rapid consumption of fuel is characteristic of a thermal
explosion, where the energy released and temperature rise from reaction feeds back to
produce ever-increasing reaction rates because of the (-Ea/RT) temperature dependence of
the reaction rate.
It can also be shown that huge pressure derivatives are associated with exploding stage of
reaction, with peak values of dP/dt ~ 1.9x1013 Pa/s !!!
Although this model predicted explosive combustion of mixture after an initial period of slow
combustion, as is observed in real knocking combustion, single-step kinetics mechanism
does not model true behavior of autoigniting mixtures
In reality, induction period, or ignition delay, is controlled by formation of intermediate species
(radicals)
To accurately model knock, a more detailed mechanism would be required
Laboratory-Scale Bioreactor
Pfaudler Inc.
A. Mardani, Combustion (Ch5), 2020, Sharif U.
35 T.
Well-stirred Reactor Theory Overview
dmi ,cv
Vmi mi ,in mi ,out
dt
Mass flow of i out
Rate at which mass of i is of control volume
generated within control volume
wi MWV
i m Yi ,in Yi ,out 0 for i 1, 2,..., N Species
Yi
X i MWi
N Conversion of molar concentration into mass fraction
X
j 1
j
MW j
Q m hout hin So far, N equations with N+1 unknowns, need to close set
Application of steady-flow energy equation
N N
Q m Yi ,out hi T Yi ,in hi Tin Ignoring PE , KE
i 1 i 1
Energy equation in terms of individual species
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
A. Mardani, Combustion (Ch5), 2020, Sharif U.
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WSR Summary
1.75
P
m YF ,in YF kG MWV YF0.1 0.23YOx 0
1.65
RT
1.75
A P
m YOx ,in YOx kG MWV YF0.1 0.23YOx 0
1.65
F RT
1 YF YOx YPr 0
h f ,F Y
F 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
A. Mardani, Combustion (Ch5), 2020, Sharif U.
41 T.
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
42 A. Mardani, Combustion (Ch5), 2020, Sharif U.
T.
Example 2
What do we do?
Burn (keep combustion going) near f=1 with
some of ingested air
Then mix very hot gases with remaining air to
lower temperature for turbine
47 A. Mardani, Combustion (Ch5), 2020, Sharif U.
T.
Solution: Burning Regions
Turbine
Air Primary
Zone
f~0.3
Compressor
f ~ 1.0
T>2000 K
1. Primary Zone
Anchors Flame
Provides sufficient time, mixing, temperature for “complete” oxidation of fuel
Equivalence ratio near f=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
RT
Polyethylene reactor:
• 16 inch inner diameter
• Operates at 35,000 psi & 600 °F
• Has a vertical orientation when in use
Courtesy of Autoclave Engineers of Snap-tite, Inc.
52 A. Mardani, Combustion (Ch5), 2020, Sharif U.
T.
Plug Flow Reactor Overview
T=T(x)
[Xi]=[Xi](x)
P=P(x)
V=u(x)
Assumptions
Dx
1. Steady-state, steady flow
2. No mixing in the axial direction. This implies that molecular and/or turbulent
mass diffusion is negligible in the flow direction
3. Uniform properties in the direction perpendicular to the flow (flow is one
dimensional). This implies that at any cross-section, a single velocity,
temperature, composition, etc., completely characterize the flow
4. Ideal frictionless flow. This assumption allows the use Euler equation to relate
pressure and velocity
5. Ideal gas behavior. State relations to relate T, P, , Yi, and h
Goal: Develop a system of 1st order ODEs whose solution describes the reactor
flow properties, including composition, as a function of distance, x
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Summary Of Plug–Flow Reactor: Potential Solution Set
R 2 2 1 dA R N
MWm ix
d
1
u
MW w
h
i i i c T
p
c MW m ix A dx uc MW m ix i 1 MW
p p i
dx u 2
P 1 u 2
cT
p
dT u 2 d u 2 1 dA 1 N
dx c p dx c p A dx uc p
h w MW
i 1
i i i
dYi w i MWi
dx u
In these equations the heat transfer rate has been set to zero for simplicity
Mathematical description of the plug-flow reactor is similar to constant pressure and
constant volume reactor models developed previously
All 3 result in a coupled set of ODEs
Plug Flow Reactor are expressed as functions of spatial coordinate, x, rather than
time, t
A. Mardani, Combustion (Ch5), 2020, Sharif U.
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Application To Combustion System Modeling
Turbine
Air Primary
Zone
f~0.3
f ~ 1.0
Compressor
T~2500 K
A. Mardani, Combustion (Ch5), 2020, Sharif U. T. Emissions Prediction of a Reverse Flow Combustor
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Using Network Models
Mole Balances on Common Reactors
some comments
Reactor Mole Balance Comment
Batch dN j No spatial variation
rj V
dt
CSTR (WSR) Fj0 - Fj No spatial
V variation, steady
-rj state
PFR dFj Steady state
rj
dV
rj: the rate of formation of species j per unit volume [e.g., mol/m3•s]
-rj: the rate of a consumption of species j per unit volume
V: Volume (m3)
𝐹𝑗0 : 𝑓𝑙𝑜𝑤 𝑜𝑓 𝑠𝑝𝑒𝑐𝑖𝑒𝑠 𝑗 𝑖𝑛𝑡𝑜 𝑠𝑦𝑠𝑒𝑚
• All of the above reactor models may include both gas phase and surface chemistry, and surface
chemistry can be included for more than one material in the system
• Reactor Cluster: The open homogenous reactor models (Reactors 4 and 5) also includes an
option to represent multiple PSRs that are connected in reactor network.
Chemical mechanism
Reactant stream constituents
Equivalence ratio
Inlet temperature and pressure
Reactor volume
res (1 ms ~ essentially equilibrated conditions)
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General species conservation equation can be
rewritten in terms of species diffusion velocities
and mass fractions, Yi :