fundamental mechanisms, predictive modeling, and novel ... · task 4: moderate-to-high (t=800 –...
TRANSCRIPT
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Fundamental Mechanisms, Predictive Modeling,
and Novel Aerospace Applications of Plasma Assisted Combustion
AFOSRMURI Kick off meeting
The Ohio State UniversityNov 4, 2009
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Drexel Group: Main TasksThrust 1. Experimental studies of nonequilibrium air-fuel plasma kinetics using advanced non-intrusive diagnostics
Task 1: Low-to-Moderate (T=300-800 K) temperature, spatial and time-dependent radical species concentration and temperature measurements in nanosecond pulse plasmas in a variety of fuel-air mixtures pressures (P=0.5-5 atm), and equivalence ratiosTask 4: Moderate-to-high (T=800 – 1800 K) temperature PAC oxidation kinetics in Discharge Shock Tube Facility at pressures up to 10 barTask 5: PAC oxidation and combustion initiation at high pressure, high temperature conditions
Thrust 2. Kinetic model development and validationTask 8: Development and validation of a predictive kinetic model of non-equilibrium plasma fuel oxidation and ignitionTask 9: Mechanism Reduction and Dynamic Multi-time Scale Modeling of Detailed Plasma-Flame Chemistry
Thrust 3. Experimental and modeling studies of fundamental nonequilibriumdischarge processesTask 10: Characterization and Modeling of Nsec Pulsed Plasma Discharges
Thrust 4. Studies of diffusion and transport of active species in representative two-dimensional reacting flow geometries Task 13: Ignition and flameholding in high-speed non-premixed flowsTask 14: High Fidelity Modeling of Plasma Assisted Combustion in Complex Flow Environments
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Drexel Group: International Collaboration
International Collaborators
Svetlana Starikovskaya (Ecole Pol) – Thrust 1 Alexander Rakitin (NEQLab) – Thrust 1Boris Potapkin (KIAE) – Thrust 2Alexander Konnov (VUB) – Thrust 2Nickolay Aleksandrov (MIPT) – Thrust 3Sergey Pancheshnyi (Univ Toulouse) – Thrust 3Sergey Leonov (IVTAN) – Thrust 4
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Physics of Nonequilibrium Systems Laboratory
Range of Parameters – Combustion Kinetics
P, atm
0.02 1 40
T, K
250 K
2500 K
S/I
φ
0.1
3.0
1
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Problems of Plasma-Chemical Models
Availability and accuracy of data on electron collision cross sections
+ H2 CH4 C2H6 C3H8? C4H10 C5H12 …
Availability and accuracy of chemical models below self-ignition point
+ H2? CH4 C2H6 C3H8 C4H10 C5H12 …
Availability and accuracy of physical and chemical models for non-equilibrium conditions
+ Radical’s mechanism ? Ionic chain mechanism? Energy chain mechanism
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Physics of Nonequilibrium Systems Laboratory
Models for Low-Temperature Plasma Assisted Combustion
Starikovskii et al.,
Plasma Physics Reports, 2000 (26) 701
O2 + e- + M → O2- + M
H2 + O2- → OH- + OH
OH + H2 → H2O + HOH- + H → H2O + e-
H + O2 + M → HO2 + MOH- + HO2 → H2O + O2 + e-
Starikovskii,Chemical Physics Reports, 2003 (11) 1
N2O* + H → N2* + OHCO + OH → CO2* + HCO2* + N2O → N2O* + CO2N2* + N2O → N2O* + N2
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Physics of Nonequilibrium Systems Laboratory
PAC: Where we are
P, atm
0.02 1 40
T, K
250 K
2500 K
S/I
φ
0.1
3.0
E/n, Td
1000
B/S
1
1
300
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Mechanisms of Plasma Influence
1. Heating
2. Turbulization
3. Momentum Transfer
4. Electrons/Ions Diffusion/Drift
5. Dissociation, Ionization
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Physics of Nonequilibrium Systems Laboratory
Shock Wave - Nonequilibrium Plasma Interaction
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Physics of Nonequilibrium Systems Laboratory
Relaxation of Nonequilibrium Plasma. Air. P1 ~ 20 Torr
0 50 100 150 200 250 300 350 400 450 5000.96
0.98
1.00
1.02
1.04
1.06
1.08
1.10
1.12
1.14V/
V 0
Pre-trigger Time, μs
V, Base 3-4 Ms=3.0 Ms=2.3 Ms=2.2 Ms=2.2 Ms=1.8 Ms=1.56
τE
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Physics of Nonequilibrium Systems Laboratory
Relaxation of Nonequilibrium Plasma. Air. P1 ~ 20 Torr
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Mechanism of fast heating in discharge plasmas (low E/N)
Low (< 20 Td) E/N:
e + N2 , O2
- elastic scattering
- rotational excitation
100 101 102 1030
50
100
O2(ion)O2(rot)
O2(el)
N2(ion)
N2(el)
O2(vib)
N2(rot)
N2(vib)
Frac
tiona
l ene
rgy
depo
sitio
n, %
E/n, Td
Air
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Mechanism of fast heating in discharges (moderate E/N)
Moderate (20 - 200 Td) E/N:
Popov (2001) heating → 28 % of power spent on N2* + O2
*
e + O2 → e + 2O + ΔE
e + N2 → e + N2*(A, B, C, a’, ...)
N2*(A, B, C, a’, ...) + O2 → N2 + 2O + ΔE
O(1D) + N2 → O + N2 + ΔE k ~ 10-10 cm3/s
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Mechanism of fast heating in discharge plasmas (high E/N)
High (> 200 Td) E/N:
electron-ion and ion-ion recombinationkinetics
100 1000
10
20
30
40
50
28% of energy spent on N2(el) + O2(el)(Popov (2001))
Hea
ting
perc
enta
ge, %
E/N, Td
ne0=1014 cm-3; dry air ne0=1015 cm-3; dry air ne0=1014 cm-3; 1 % H2O ne0=1015 cm-3; 1 % H2O
e + O2+ → O + O* + ΔE
O2- + O2
+ + M→ 2O2 + M + ΔE
Aleksandrov et al. (2009)
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Physics of Nonequilibrium Systems Laboratory
Heat Release and Shock Waves Formation by “Nonequilibrium” Plasma
50 ns, ΔT = 420 K
7 ns, ΔT = 240 K
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Energy Distribution in Gas Discharge
100 101 102 1030
50
100
O2(ion)O2(rot)
O2(el)
N2(ion)
N2(el)
O2(vib)
N2(rot)
N2(vib)
Frac
tiona
l ene
rgy
depo
sitio
n, %
E/n, Td
Air
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Molecular Oxygen ExcitationTo directly observe the influence of SDO on the combustion of H2-O2 mixture
Delivering sufficient amount of SDOMinimizing the effect of O atomLower the inlet temperature
V V Smirnov, O M Stelmakh, V I Fabelinsky, D N Kozlov, A M Starik and N S Titova,J. Phys. D: Appl. Phys. 41 (2008)
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SDO kinetic analysis
The ignition time as a function of SDO mole fraction in oxygen.T=775 K and P=10 Torr in the H2:O2=5:2 mixture
0% 1.2% 4% 6%
-2,0
-1,5
Experiment Calculations Calculations with
laminar boundary layerlg(t,s)
SDO mole fraction
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SDO kinetic analysis
Auto-ignition
6% SDO
The evolution in time of the mole fractions of the main component for autoignition (a) and ignition with 6% singlet delta oxygen. The gas temperature
evolution is represented by the thick red line.
1E-6 1E-5 1E-4 1E-3 0.01 0.11E-8
1E-7
1E-6
1E-5
1E-4
1E-3
0.01
0.1
1
H2 O2 SDO O H OH HO2 H2O H2O2 O(1D) O2(1S) O3 Temp
800
1200
1600
2000
2400
Temeprature, K
1E-6 1E-5 1E-4 1E-3 0.01 0.11E-8
1E-7
1E-6
1E-5
1E-4
1E-3
0.01
0.1
1
H2 O2 SDO H O OH HO2 H2O H2O2 O(1D) O2(1S) O3 Temp
Time s
800
1200
1600
2000
2400
Temperature, K
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Possible reasons
Radical generation efficiency
Auto SDOO2+M=O+O+M (slow)
H2+O=OH+HO2+H=OH+O
OH+OH=H2O+O……
O2(a1 Δg)+H2=OH+OH (fast)OH+H2=H2O+H
O2(a1 Δg)+H=OH+OO2+H=OH+O
OH+OH=H2O+O…
O2(a1 Δg)+H2=OH+OH O2(a1 Δg)+H=OH+O
200% 100%~80 μs
SDO kinetic analysis
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Energy Distribution in O2-Ar (15%:85%) Mixture
74% energy in excitation of singlet oxygen at E/n= 5 TdApproximately 53% in singlet delta state
About 21% in singlet sigma state
1 10 100 10000
10
20
30
40
50
60
70
80
Ene
rgy
depo
sitio
n, %
Reduced Electric Field, Td
Ar(elastic) Ar(11.6eV) Ar(11.3eV) Ar(Ionization) O2(v=1) O2(v=2) O2(v=3) O2(1Δ) O2(1Σ) O2(4.5eV) O2(6.0eV) O2(8.4eV) O2(Ionization)
H + O2(1Δ) = OH + O
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0,8 1 2 4 6 8 10 20 400,0
0,5
1,0
1,5
2,0
2,5
SDO
Exc
itatio
n Ef
ficie
ncy,
%
E/n, Td
E/n = 6 Td (=10−17 Vcm2)
N2 Elastique 1.8 % N2(ROT) 4 %
N2 (V=1) 49 % N2 (V=2) 7.3 % N2 (V=3) 1.4 % N2 (V=4) 0.2 %
O2 Elastique 0.3 % O2 (ROT) 0.2 % O2 (V=1) 17 % O2 (V=2) 11 %O2 (V=3) 4.1 %O2 (V=4) 1.4 %O2 (a1Δg) 2.2 %O2 (b1Σ) 0.1%
SDO Excitation efficiency in air plasma
Air Plasma
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Physics of Nonequilibrium Systems Laboratory
Shock Tube with Discharge Section.U ≤ 0.3 MV, M ≤ 3
Test Section of the Shock Tube
Starikovskaya et al
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Physics of Nonequilibrium Systems Laboratory
Main Processes During Discharge Phase
0 20 40 60 80 100
20000
40000
60000
80000
2
76
48
13 5
4
Rea
ctio
n R
ate
Time, ns
1 Ar + e- ⇒ Ar+ + e- + e-
2 O2 + e- ⇒ O + O + e-
3 CH4 + e- ⇒ CH3 + H + e-
4 Ar + e- ⇒ Ar* + e-
5 Ar* + O2 ⇒ Ar + O + O
6 Ar* + CH4 ⇒ Ar + CH2 + H + H
7 O2 + e- ⇒ O2* + e-
8 O2* + CH4 ⇒ O2 + CH3 + H
1
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Physics of Nonequilibrium Systems Laboratory
Radicals Production in DischargeCH4-containing mixture
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Physics of Nonequilibrium Systems Laboratory
Ignition Delay Time: Methane-Containing Mixture
0.5 0.6 0.7 0.8
100
101
102
103
104
105
I
II
III
autoignition
autoignition, experimentautoignition, calculations
PAI, calculationsPAI, calculations
PAI, experimentsPAI, experiments
PAIPAI
Igni
tion
dela
y tim
e, μ
s
1000/T5, K
CH4
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Physics of Nonequilibrium Systems Laboratory
90 0.55 0.60 0.65 0.70 0.75 0.80 0.85 0.901
10
100
1000In
duc
tion
tim
e, μs
1000/T, K-1
Auto Exp Auto Calc FIW Exp FIW Calc
(C5H12:O2) + 90% Ar
b)
C H5 12
RAMEC (for C1) + Westbrook (C2-C7) + High Pressure Adjustment
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Physics of Nonequilibrium Systems Laboratory
Experiment and Calculations in H2-Air Mixture
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Physics of Nonequilibrium Systems Laboratory
Modeling of Radicals Formation vs E/n (W=14 mJ/cm3)
10 1000.0
5.0x10-4
1.0x10-3
1.5x10-3
2.0x10-3
2.5x10-3
3.0x10-3
3.5x10-3
4.0x10-3
4.5x10-3
5.0x10-3
Den
sity
, cm
-3
E/N, Td
O H Sum
100 10000.0
5.0x10-4
1.0x10-3
1.5x10-3
2.0x10-3
2.5x10-3
3.0x10-3
3.5x10-3
4.0x10-3
Den
sity
, cm
-3E/N, Td
O H SumH2:O2:Ar=29.5:14.75:55.75
H2:O2:N2=29.5:14.75:55.75
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Delay time for autoignition and plasma assisted ignition in CH4-containing mixture
CH4:O2:N2:Ar = 1:4:15:80
0.50 0.55 0.60 0.65 0.70 0.75 0.80 0.85 0.90101
102
103
104
PAI with E(t)/N
PAIauto
auto0.5 atm
~0.5 atm
~2 atm
Igni
tion
dela
y tim
e, μ
s
1000/T, K-1
Aleksandrov et al. (2009)
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Physics of Nonequilibrium Systems Laboratory
Plasma Recombination at High Pressures and Temperatures
0 5 10 15 20 25 30 35 40 45 50
1012
p=2.56atm,T=2036Kp=2.2atm,T=2036Kp=1.96atm,T=2065Kp=1.9atm,T=2276K
p=1.5atm,T=2598Kp=1.07atm,T=2770K
n e, c
m-3
Время, мкс
p=1.68atm,T=2384K
N2
0.1 1 10
1010
1011
1012
p=2.1атм.,T=1989Kp=2атм.,T=2150Kp=2атм.,T=2100Kp=1.9атм.,T=2270Kp=1.8атм.,T=2558Kp=1.5атм.,T=2680Kp=1.1атм.,T=2990K
N2:O2:CO2=76:19:5
n e, c
m-3
Время, мкс
0.1 1 10
1012
p=2.3атм.,T=2316Кp=2атм.,T=2411Кp=1.7атм.,T=2442Кp=1.3атм.,T=2517Кp=1.1атм.,T=2845К
N2:H2:O2:CO2=67:15:11:7
n e, c
m-3
Время, мкс
N2:H2O:O2:OH:CO:CO2:H:O:H2=67:10:5:4:3.5:3:3:3:2
N2:H2:O2:CO2=67:15:11:7
After 10 μs, at 1atm., 2800К
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Physics of Nonequilibrium Systems Laboratory
Evolution in Time of Electron Density During Plasma Decay
500 1000 1500 2000 250010-8
10-7
10-6
p=0.4 atm
0.2
T, K
Effe
ctiv
e re
com
bina
tion
coef
ficie
nt, c
m3 s-1
)
500 1000 1500 2000 250010-8
10-7
10-6
p=0.4 atm0.2
T, K
Effe
ctiv
e re
com
bina
tion
coef
ficie
nt, c
m3 s-1
air
O2:N2:CO2=1:4:5 O2:N2:CO2=5:86:9
Dissociative electron-ion recombinatione + O2
+ → O + O
Electron attachment and detachmente + O2 + M → O2
- + MO2
- + O → e + O3
500 1000 1500 2000 250010-8
10-7
10-6
p=0.4 atm0.2
T, K
Effe
ctiv
e re
com
bina
tion
coef
ficie
nt, c
m3 s-1
)
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Physics of Nonequilibrium Systems Laboratory
Discharge Development at Different Overvoltage and Plasma Generation
10 100 1 0001E11
1E12
1E13
1E14
1E15
1E16
Elec
t ron
Den c
ity,c
m-3
Reduced El ectr ic Fi eld, Td
T = 8000 KT = 350 K
T = 400 K
T = 300 K
Arc Discharge: equilibrium plasmaApplications: melting & welding
MW Discharge: partial equilibriumApplications: plasma chemical conversion, chemical vapor deposition (CVD)
Glow Discharge: E/n close to the breakdown thresholdApplications: light sources, surface treatment, CVD
Streamer Discharge: overvoltage up to 200%Applications: surface treatment, flue gases treatment, electrical breakdown, power switches
Nanosecond Pulsed Discharge: overvoltage up to 10 timesApplications:• Plasma supported combustion• Plasma supported aerodynamics• Chemical conversion• CVD
Types of Gas Discharges and Their Applications
T = 4000 K
Types of Gas Discharges and Their Applications
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Physics of Nonequilibrium Systems Laboratory
Setup for OH Dynamic Measurements in Streamer Channel Afterglow
Pancheshnyi et al
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Physics of Nonequilibrium Systems Laboratory
LIF Diagnostics Setup: OH Profile Control
NdYAG laserDye laserDoublingsystem
Spectrometer
ICCD - camera
burner
LIF OHOH (X-A):
Excitation: Q1(6) 282.92 nm;Emission:
315nm, δλ=1.8 нм; Registration –
PicoStar LaVision ICCD камера
LIF OH
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LIF Emission of OH at 300 K
1 10 100
0
50
100
150
200
250
Methane lean Ethane lean Propane lean Butane lean
Methane St Ethane St Propane St
Methane Rich
OH
LIF
, 300
K, 1
atm
Time, μs
0.1 1 10 100
1
10
100
Methane lean Ethane lean Propane lean Butane lean
Methane St Ethane St Propane St
Methane Rich
OH
LIF
, 300
K, 1
atm
Time, μs
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LIF Emission of OH at 500 K
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Methane
Ethane
300 K Versus 500 K LIF of OH
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Physics of Nonequilibrium Systems Laboratory
High-pressure Conditions:Always Non-Uniform
9 ns
11 ns
Pancheshnyi et al
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Physics of Nonequilibrium Systems Laboratory
Rapid Compression Machine:High-Pressure, Low-Temperature
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Physics of Nonequilibrium Systems Laboratory
PAC at High Pressure: ER = 1 (Rakitin et al)
T2 = 713 KP2 = 26.5 bar
Propane,Surface DBD,
< 50mJ
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Physics of Nonequilibrium Systems Laboratory
PAC at High Pressure: ER = 0.4 (Rakitin et al)
T2 = 794 KP2 = 32 bar
Propane,Surface DBD,
< 50mJ
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Physics of Nonequilibrium Systems Laboratory
Propane-Butane-Air Lean Mixtures. φ = 0.5 (C3:C4=85:15)
0,65 0,70 0,75 0,80 0,85 0,90 0,95 1,00 1,05 1,10 1,15
10
100
Igni
tion
Del
ay, µ
s
1000/T, K-1
P=500 atm P=210 atm P=66 atm P=20 atm P=4.7 atm Cadman et. al
P=10 atm
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Physics of Nonequilibrium Systems Laboratory
Propane-Butane-Air Mixture Ignition. φ = 0.5 (C3:C4=85:15). Calculations
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Physics of Nonequilibrium Systems Laboratory
Propane-Butane-Air Mixture Ignition. Experiment vs Calculations.
0,6 0,7 0,8 0,9 1,0 1,1 1,210
20
40
6080
100
200
400Ig
nitio
n De
lay,
µs
1000/T, K-1
, P=500 atm, P=210 atm, P=66 atm, P=20 atm, P=4.7 atm
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Physics of Nonequilibrium Systems Laboratory
Channels of Kinetic Scheme Optimization
Reaction T k
C3H8 + HO2 = C`H2C2H5 + H2O2 1200 2.5
C3H8 + HO2 = CH3C`HCH3 + H2O2 1200 2.5
O2C3H7 = HOOCH2C`HCH3 800-1000 0.2
CH3CHO2CH3 = CH3CH(OOH)C`H2 800-1000 0.2
OCHCH(OOH)CH3 = CH3CHO + HCO + OH 800 0.2
OCHCH2CH(OOH)2 = CH2O + CH2CHO + OH 800 0.2
CH3COCH2(OOH) = CH2O + CH3CO + OH 800 0.2
0,65 0,70 0,75 0,80 0,85 0,90 0,95 1,00 1,05 1,10 1,15 1,20 1,25
10
100
H2O
2 and HO
2Formation and Decomposition
Fueldecomposition
AlkylHydroperoxidesformation and decomposition
H2O2+M -> OH+OH+M
CH3+CH
3O
2 = CH
3O+CH
3O
Igni
tion
Dela
y (µ
s)
1000/T (K-1)
n-Hexane P = 220 atm n-Pentane P = 250 atm C
3H
8+C
4H
10 P=210 atm
Methane P = 150 atm
Konnov,Potapkin
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Physics of Nonequilibrium Systems Laboratory
Mixture C3H8:C4H10:Air = 1.8:0.3:97.9
0,7 0,8 0,9 1,0 1,1 1,2
10
100
C3H8:C4H10:Air=1.8:0.3:97.9Ig
nitio
n De
lay,
µs
1000/T, K-1
, P = 4.7 atm, P = 20 atm, P = 66 atm, P = 210 atm, P = 500 atm
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Physics of Nonequilibrium Systems Laboratory
Discharge Formation and Flame Stabilization in High Speed Flow
IVTAN (Sergey Leonov):M = 2Maximal stagnation pressure 1.8 BarStagnation temperature 670 KDischarge Power ~ 1 kW
DPI Shock Tunnel:M = 2-5Static pressure 0.1 - 1 BarStatic temperature 700-1000 KDischarge Power ~ 1 kW
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Physics of Nonequilibrium Systems Laboratory
Summary
Range of ParametersP = 0.1 – 70 atmT = 300 – 2000 KM = 0 - 5φ = 0.01 – 1E/n = 200-500 Td (Air)Fuels: H2, C1 – C4Acetones, Alcohols, CO
Experiment:Shock TubeShock TunnelRapid Compression MachinePremixed Flow Nozzle
Theory:Discharge ModelsPlasma Models Chemical Kinetic Models