Integrating Filtration Mechanism with a 3D Diesel Particulate Filter (DPF) Model using
Hoon Lee Center for Transportation Research Argonne National Laboratory
Orlando, Florida, USA March 19, 2013
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Integrating Filtration Mechanism with a 3D Diesel Particulate Filter (DPF) Model using Hoon Lee Center for Transportation Research Argonne National Laboratory Orlando, Florida, USA March 19, 2013 Outline Objective Filtration
Orlando, Florida, USA March 19, 2013
Integrating Filtration Mechanism with a 3D Diesel Particulate Filter (DPF) Model using STAR-CCM+
Diesel Engine & DPF Two Approaches in Filtration Modeling
Pressure Drop Model Soot Filtration Model
Domain Setup & Meshing Physical Assumptions & Boundary Conditions
Cell Value Localization Built-in Function Utilization Recursive Operation
Channel-flow Profiles & Pressure Drop Wall-flow Rearrangements Local Soot Mass Deposited Local Collection Efficiency Soot Cake Layer Properties
Integrating Filtration Mechanism with a 3D Diesel Particulate Filter (DPF) Model using STAR-CCM+
Objective
Background Theoretical Analysis Experiment Computing Environment Model Setup Filtration Algorithm Model Results Summary Future Work Acknowledgement
Integrating Filtration Mechanism with a 3D Diesel Particulate Filter (DPF) Model using STAR-CCM+
Objective
Background
Theoretical Analysis Experiment Computing Environment Model Setup Model Results Summary Future Work Acknowledgement Filtration Algorithm
Highway diesel vehicles are required to meet the stringent PM emission standards. Physically trap (Filtration), and chemically
Uncontrolled regeneration may occur which causes system failure due to highly exothermic reaction. Prediction of particulate deposition in the porous filter wall is important.
Plug Porous wall
Pros: High Thermal Efficiency, Fuel Economy, Torque, Low Emission (CO, UHC) Cons: Noise, Vibration, $, Emission (PM, NOX) NOX reduction by SCR and/or EGR PM needs to be reduced in both mass and number... ☞ Arising issue for GDI engines, too! PM and NOX are the major emissions
Integrating Filtration Mechanism with a 3D Diesel Particulate Filter (DPF) Model using STAR-CCM+
Objective
Background
Theoretical Analysis Experiment Computing Environment Model Setup Model Results Summary Future Work Acknowledgement Filtration Algorithm
Lagrangian: Qualitative analysis by tracking particle trajectories with appropriate B.C.s.
Eulerian: Quantitative analysis of soot filtration process by coupling specific filtration algorithms.
Integrating Filtration Mechanism with a 3D Diesel Particulate Filter (DPF) Model using STAR-CCM+
Δ𝑄 = Δ𝑄𝑞𝑝𝑠𝑝𝑣𝑡 𝑥𝑏𝑚𝑚 + Δ𝑄𝑡𝑝𝑝𝑢 𝑑𝑏𝑙𝑓 + Δ𝑄
𝑔𝑠𝑗𝑑𝑢𝑗𝑝𝑜 + Δ𝑄𝑑𝑝𝑜𝑢/𝑓𝑦𝑞𝑏𝑜𝑡
= 𝜈 𝑙𝑝 𝑣𝑥𝑥𝑡 + 𝛾𝜍𝑣𝑥2𝑥𝑡 + 𝜈 𝑙𝑡𝑝𝑝𝑢 𝑣(𝑦)
𝑥
𝑒𝑦 + 𝜈𝐺 3𝑏2 𝑉𝑝,𝑗𝑜𝑀𝜊 + 𝜈𝐺 3𝑏2 𝑉𝑝,𝑝𝑣𝑢𝑀𝜊 + ζ𝑑𝑝𝑜𝑢 𝜍𝑣2 2 + ζ𝑓𝑦𝑞 𝜍𝑣2 2 Each velocity term is defined as,
𝑣𝑥 = 𝑅𝑝 𝐵𝑔𝑗𝑚𝑢 = 𝑉𝑝𝐵𝑝 4𝑏𝑀 = 𝑉𝑝𝑏2 4𝑏𝑀 = 𝑉𝑝𝑏 4𝑀 𝑣(𝑦)𝑒𝑦
𝑥
= 𝑅𝑝 𝐵𝑔𝑗𝑚𝑢(𝑦)
𝑥
𝑒𝑦 = 𝑅𝑝 4( 𝑏 − 2(𝑥 − 𝑦 )𝑀
𝑥
𝑒𝑦 = 𝑅𝑝 8𝑀 ln 𝑏 𝑏 − 2𝑥 𝑉𝑝,𝑗𝑜 = 𝑅 𝐵𝑝
𝑗𝑜𝑚𝑓𝑢
= 𝑅 𝜌𝐸2 4 1 2 1 2 (𝑏 − 2𝑥)2 (𝑏 + 𝑥𝑡)2 = 16𝑅 𝜌𝐸2σ(𝑏 − 2𝑥)2 𝑅𝑝 = 𝑅𝐵𝑝 𝐵𝑝
𝑗𝑜𝑚𝑓𝑢
= 𝑅(𝑏 − 2𝑥)2 𝜌𝐸2 4 1 2 1 2 (𝑏 − 2𝑥)2 (𝑏 + 𝑥𝑡)2 = 16𝑅(𝑏 + 𝑥𝑡)2 𝜌𝐸2 𝑣 = 𝑅 𝑂𝑏2
: Clean filter condition for Ao
𝑅𝑝, 𝑉𝑝, 𝑣𝑥, 𝑣(𝑦) 𝑅, 𝑉
Half-cut sample for experiment
a w ws a - 2w
: Soot cake thickness (w) for Ao
Objective Background
Theoretical Analysis
Experiment Computing Environment Model Setup Model Results Summary Future Work Acknowledgement Filtration Algorithm
Darcy-Forchheimer’s Law
Integrating Filtration Mechanism with a 3D Diesel Particulate Filter (DPF) Model using STAR-CCM+
Unit Collector Mechanism Collection Efficiency
𝒆𝒅𝟏 = 𝟒(𝟐 − 𝜻𝟏) 𝟑𝜻𝟏 𝒆𝒒𝒑𝒔𝒇 𝒆𝒅𝟏
𝟒
𝒄𝟒 = 𝟐 − 𝜻𝟏
Diffusional Deposition (𝜽𝑬) Flow-line Interception (𝜽𝑺)
𝑒𝑑(𝑗, 𝑢) = 2 3 4𝜌 𝑛𝑚𝑝𝑑𝑏𝑚(𝑗, 𝑢) 𝜍𝑡𝑝𝑝𝑢,𝑥𝑏𝑚𝑚 + 𝑒𝑑0 2
3 1 3
𝜁 𝑗, 𝑢 = 1 − 𝑒𝑑(𝑗, 𝑢) 𝑒𝑑0
3
(1 − 𝜁0) 𝑙 𝑗, 𝑢 = 𝑙0 𝑒𝑑(𝑗, 𝑢) 𝑒𝑑0
2 𝑔(𝜁 𝑗, 𝑢 )
𝑔(𝜁0) 𝛸 𝑢 = 𝑒𝑑(𝑗, 𝑢) 2 − 𝑒𝑑0
2
𝛺 𝑐 2 − 𝑒𝑑0
2
𝜃𝐸 = 3.5 𝜁 𝑄𝑓−2
3 = 3.5 𝜁
𝑉𝑗𝑒𝑑 𝐸
−2 3
𝜃𝑆 = 1.5 𝑂𝑆
2
𝜁
3
1 + 𝑂𝑆
3−2𝜁 3𝜁
𝜃𝐸𝑆 = 𝜃𝐸 + 𝜃𝑆 − 𝜃𝐸𝜃𝑆 𝐹 𝑗, 𝑢 = 1 − 𝑓𝑦𝑞 − 3𝜃𝐸𝑆 1 − 𝜁 𝑗, 𝑢 Δ𝑧 2𝜁(𝑗, 𝑢) 𝑒𝑑(𝑗, 𝑢)
Key parameters for CFD code (UDF) to specify region properties
collector collector
Particulates
Key parameters for User Code to
mass (mw)
Objective Background
Theoretical Analysis
Experiment Computing Environment Model Setup Model Results Summary Future Work Acknowledgement Filtration Algorithm
Integrating Filtration Mechanism with a 3D Diesel Particulate Filter (DPF) Model using STAR-CCM+
Clean Filter Test Soot Loading Test
ko=2.30E-13 ko=1.77E-13
PM Size Distribution PM Mass Concentration
SMPS TEOM
Clean filter permeability (ko) and particle-laden flow properties are directly measured. Soot cake permeability (ks,cake), particle density (ρs), and soot cake porosity (εs,cake) can be estimated. Packing densities (ρs,wall, ρs,cake) are assumed.
Ready to model
Objective Background Theoretical Analysis
Experiment
Computing Environment Model Setup Model Results Summary Future Work Acknowledgement Filtration Algorithm 0.0E+00 1.0E-13 2.0E-13 3.0E-13 4.0E-13 5.0E-13 6.0E-13 7.0E-13 8.0E-13 0.0E+00 2.0E-03 4.0E-03 6.0E-03
Permeability, ko [m2]
0.0 0.3 0.6 0.9 1.2 1.5 1.8 2.1 2.4 0.0E+00 2.0E-03 4.0E-03 6.0E-03
Pressure Drop [kPa]
0.0 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 10 20 30 40 50 60
Pressure Drop [kPa] Time [min.]
◆ Analytical Solution ◆ 100 CPSI (ws=17 mils) ◆ 200 CPSI (ws=12 mils)
Integrating Filtration Mechanism with a 3D Diesel Particulate Filter (DPF) Model using STAR-CCM+
Geometry is based on a 200CPSI, lab-scaled (2”x 6”) cordierite filter with regions of upstream flow and soot cake formation.
Volume meshes are generated by using Trimmer for porous regions (filter wall, soot cake), and Polyhedral for fluid and solid regions (channels, plugs).
a w ws
CFD domain
Total 2,013,762 cells Upstream=L 0.78”, Plug= L 0.39”, ws= 12.0 mils
Objective Background Theoretical Analysis Experiment Computing Environment
Model Setup
Model Results Summary Future Work Acknowledgement
POROUS REGION FLUID REGION SOLID REGION Filter wall Soot cake Upstream Plugs I/O Channels
10 9 8 7 6 5 4 3 2 1
Trimmer is exclusively used for filter wall, consisting of 10 separate porous regions, to represent soot filtration. (Growth rate = 1, Cell size = thickness of each region) All cells in wall regions are regular hexahedrons
Filtration Algorithm
z y x
Integrating Filtration Mechanism with a 3D Diesel Particulate Filter (DPF) Model using STAR-CCM+
Objective Background Theoretical Analysis Experiment Computing Environment
Model Setup
Model Results Summary Future Work Acknowledgement
Pressure Outlet 125.44 [kPa] (= 18.2 psi) Mass flow Inlet 3.05E-6 [kg/s] (= 7.4 SCFM) Convection Specify convection flux across the boundary to environment (ambient) Adiabatic Neglect heat loss for thermal condition at channel inlet Slip Define geometrically symmetry planes/surfaces ℎ 𝑑𝑝𝑜𝑤 = 𝑅 𝐵𝑓𝑟𝛦𝑈 = 𝑛 𝑑𝑞 𝑈𝑗 − 𝑈
𝑝
𝐵𝑓𝑟 𝑈 − 𝑈𝑏𝑛𝑐 𝑆𝑢,𝑔 = 1 𝜆 𝑥𝑠
Neglected Potential energy Chemical reactions Compression effect Expansion effect Plugging effect Soot Cake Transport Ash formation
Total Temperature 195.0 [C]
Filtration Algorithm
z y x
Integrating Filtration Mechanism with a 3D Diesel Particulate Filter (DPF) Model using STAR-CCM+
Objective Background Theoretical Analysis Experiment Computing Environment Model Setup
Filtration Algorithm
Model Results Summary Future Work Acknowledgement
Problem : To make each CFD cell acting as a unit collector, cell index must be ordered, so that the cell values can be transferred in certain direction.
Structured meshing is NOT allowed in standard CFD tools mlocal,1 (t) = min,1(t) E1(t) mlocal,2 (t) = min,2(t) E2(t) mlocal,i (t) = min,i(t) Ei(t) Inlet Outlet mcake (t)= min (t) 𝜲(t)
min,1 = min (1-Ф) min,2 = min,1 - mlocal,1 = min,1 (1-E1) min,i = min,i-1 (1-Ei-1)
Cake layer Layer 1 Layer 2 Layer i . . .
min (t) = χs Qs 𝜠t mout (t) = min,N(t) (1-EN(t)) z y x
0 ≤ ≤ 1 Soot Cake Mass Fraction
Solution : Having the same cell indices in y direction by meshing each wall layers, separately.
Localiz ized d paramete ters
Integrating Filtration Mechanism with a 3D Diesel Particulate Filter (DPF) Model using STAR-CCM+
Objective Background Theoretical Analysis Experiment Computing Environment Model Setup Model Results Summary Future Work Acknowledgement
Filtration Algorithm
Problem : Classic unit collector mechanism causes a circulation error during initialization. Thus, Eq.(3) needs to be modified to account 𝑭 𝒋, 𝒖 − 𝟐 . ☞ …but, time array can NOT be handled through UDFs.
𝒆𝒅(𝒋, 𝒖) 𝜻 𝒋, 𝒖 𝑭 𝒋, 𝒖 𝒏𝒎𝒑𝒅𝒃𝒎 𝒋, 𝒖
Recall
𝑒𝑑(𝑗, 𝑢) = 2 3 4𝜌 𝑛𝑚𝑝𝑑𝑏𝑚(𝑗, 𝑢) 𝜍𝑡𝑝𝑝𝑢,𝑥𝑏𝑚𝑚 + 𝑒𝑑0 2
3 1/3
𝜁 𝑗, 𝑢 = 1 − 𝑒𝑑(𝑗, 𝑢) 𝑒𝑑0
3
(1 − 𝜁0) 𝐹 𝑗, 𝑢 = 1 − 𝑓𝑦𝑞 − 3𝜃𝐸𝑆 1 − 𝜁 𝑗, 𝑢 Δ𝑧 2ε(𝑗, 𝑢) 𝑒𝑑(𝑗, 𝑢) 𝑛𝑚𝑝𝑑𝑏𝑚 𝑗, 𝑢 = 𝑛𝑗𝑜 𝑗, 𝑢 𝐹(𝑗, 𝑢)
… 𝐅𝐫. (𝟐) … 𝐅𝐫. (𝟑) … 𝐅𝐫. (𝟒) … 𝐅𝐫. (𝟓)
𝑛𝑚𝑝𝑑𝑏𝑚 𝑗, 𝑢 = 𝑛𝑗𝑜 𝑗, 𝑢 𝑭(𝒋, 𝒖 − 𝟐)
diameter void fraction mass characteristic
Solution : Store current (t) cell values using Table function, then access the data by interpolating the table as fields (UDF) at the next time step (t+1).
𝜻𝟏 𝒆𝒅𝟏 𝒏𝒎𝒑𝒅𝒃𝒎 = 𝟏 𝜻 𝒋, 𝟐 𝒆𝒅(𝒋, 𝟐) 𝒏𝒎𝒑𝒅𝒃𝒎 𝒋, 𝟐 𝑭 𝟏
Store Table
t=0 (Initialize) t=1
Access via UDF & User Code Access via UDF & User Code
𝒏𝒎𝒑𝒅𝒃𝒎 𝒋, 𝟑 𝑭 𝒋, 𝟐
Store
t=2
Integrating Filtration Mechanism with a 3D Diesel Particulate Filter (DPF) Model using STAR-CCM+
Objective Background Theoretical Analysis Experiment Computing Environment Model Setup Model Results Summary Future Work Acknowledgement
Filtration Algorithm
Problem : Flow changes with engine operating condition. Local soot mass must be accumulated through time integral, considering collection efficiency. …but standard CFD code do NOT have ability to allow mathematical recursiveness through UDFs.
𝑛in = χs Qs 𝛦t 𝑛𝑗𝑜, 1= 𝑛𝑗𝑜 (1-Φ) 𝑛𝑑𝑏𝑙𝑓= 𝑛𝑗𝑜 Φ 𝑛𝑚𝑝𝑑𝑏𝑚, 1= (𝑛𝑗𝑜,1𝐹1)
𝑂 𝑢=1
𝑛𝑑𝑏𝑙𝑓 < 𝑛𝑑𝑏𝑙𝑓, 𝑛𝑏𝑦 𝑛𝑚𝑝𝑑𝑏𝑚, 1 < 𝑛𝑚𝑝𝑑𝑏𝑚, 𝑛𝑏𝑦 Φ = 1 No Yes 𝑛𝑚𝑝𝑑𝑏𝑚,𝑗 = (𝑛𝑗𝑜,𝑗𝐹𝑗 (1 − 𝐹𝑙)
𝑗−1 𝑙=1
)
𝑂 𝑢=1
𝑥 = 𝑛𝑑𝑏𝑙𝑓 1 𝐵𝑡𝜍𝑡,𝑑𝑏𝑙𝑓
𝑂 𝑢=1
Soot mass conc. Flow rate Partition factor (0 ≤ Φ ≤ 1) 𝝇𝒕,𝒙𝒃𝒎𝒎 𝜌 𝑂𝑒𝑑,𝐷𝐺𝐸 𝑒𝑑,𝑛𝑏𝑦
3 − 𝑒𝑑0 3
6 𝜍𝑡,𝑑𝑏𝑙𝑓𝑊
𝑑𝑏𝑙𝑓,𝐷𝐺𝐸
No (𝒖 + 𝜠t) Iteration
Get
𝜁, 𝐹, 𝑒𝑑
End of depth filtration
𝑛𝑑𝑏𝑙𝑓= 0
End of cake filtration
𝛺𝑐
Yes
Solution : Couple User Code and Monitor function.
Link Compile Monitor Run User Code Field Sum
Object file (.obj, .so) Library (.dll) STAR-CCM+ Linux Linux Win Win
Load Load
Integrating Filtration Mechanism with a 3D Diesel Particulate Filter (DPF) Model using STAR-CCM+
A national user facility to meet US DOT advanced computation needs. A focal point for computational research for transportation applications. Linked to federal and non-federal R&D facilities, regional, state and city departments of transportation, and university research centers.
Total 3,968 cores in 220 compute nodes Zephyr : 16 AMD 6273 (cores/CPU) * 2 (CPUs/node) * 92 (nodes) Phoenix : 4 AMD 2378 (cores/CPU) * 2 (CPUs/node) * 128 (nodes)
Objective Background Theoretical Analysis Experiment
Computing Environment
Model Setup Model Results Summary Future Work Acknowledgement Filtration Algorithm
Total solver elapsed time [s]
100 200 300 400 500 1 2 3 4 5 6 7 8 9 10
Iteration [#]
10 Iterations Benchmark Test
1 core: Local (3.4GHz, 16GB) 2 cores: Local 4 cores: Local 8 cores: Cluster (2.3GHz, 32GB)
16 cores: Cluster
Integrating Filtration Mechanism with a 3D Diesel Particulate Filter (DPF) Model using STAR-CCM+
Objective Background Theoretical Analysis Experiment Computing Environment Model Setup
Model Results
Summary Future Work Acknowledgement Filtration Algorithm
P L U G P L U G P L U G P L U G
Pressure Velocity
300s 600s 1000s
Effect of percolation factor (ψ)
[kPa] [m/s]
125.0 126.0 127.0 128.0 129.0 130.0 131.0 0.2 0.4 0.6 0.8 1 0.0 10.0 20.0 30.0 0.0 10.0 20.0 30.0 0.2 0.4 0.6 0.8 1 Normalized Channel Length [-]
2.0 2.5 3.0 3.5 4.0 4.5 5.0 5.5 6.0 300 600 900 1200 1500 1800 Pressure Drop [kPa] Time [sec]
Experiment Model (ψ=0.9) Model (ψ=0.86)
Depth filtration Cake filtration Transition
Integrating Filtration Mechanism with a 3D Diesel Particulate Filter (DPF) Model using STAR-CCM+
Objective Background Theoretical Analysis Experiment Computing Environment Model Setup
Model Results
Summary Future Work Acknowledgement Filtration Algorithm
Pre-transition regime Post-transition regime
[m/s] [m/s] 30s 90s 120s Depth filtration 300s: Depth filtration end 600s: Transition 1000s: Cake filtration
0.020 0.028 0.036 0.044 0.052 0.060 0.2 0.4 0.6 0.8 1 Wall-through Velocity [m/s] Normalized Channel Length [-] 0.035 0.038 0.041 0.044 0.047 0.050 0.2 0.4 0.6 0.8 1 Normalized Channel Length [-]
0.000 0.020 0.040 0.060 30s 90s 120s
Velocity Avg.
1.0E-03 2.0E-03 3.0E-03 4.0E-03 300s 600s 1000s
UNIFORMIZED ACCELERATED
Integrating Filtration Mechanism with a 3D Diesel Particulate Filter (DPF) Model using STAR-CCM+
Objective Background Theoretical Analysis Experiment Computing Environment Model Setup
Model Results
Summary Future Work Acknowledgement Filtration Algorithm
y-z plane (@ x = 1/4a) Deposited soot profiles x-y plane (@ z = 1/2L)
0.0E+00 1.0E-14 2.0E-14 3.0E-14 4.0E-14 5.0E-14 6.0E-14 7.0E-14
50 100 150 200 250 300 Local Soot Mass [kg] Wall Penetration [μm]
Inlet Mid Outlet
0.0E+00 1.0E-14 2.0E-14 3.0E-14 4.0E-14 5.0E-14 6.0E-14 7.0E-14
50 100 150 200 250 300 Local Soot Mass [kg] Wall Penetration [μm]
Inlet Mid Outlet
0.0E+00 1.0E-14 2.0E-14 3.0E-14 4.0E-14 5.0E-14 6.0E-14 7.0E-14
50 100 150 200 250 300 Local Soot Mass [kg] Wall Penetration [μm]
Inlet Mid Outlet
90s: Depth filtration 600s: Transition 1000s: Cake filtration Filter wall Soot cake
Integrating Filtration Mechanism with a 3D Diesel Particulate Filter (DPF) Model using STAR-CCM+
Objective Background Theoretical Analysis Experiment Computing Environment Model Setup
Model Results
Summary Future Work Acknowledgement Filtration Algorithm
y-z plane (@ x = 1/4a) x-y plane (@ z = 1/2L)
Streamlines 40% 50% 60% 70% 80% 90% 100% 200 400 600 800 1000 Local Collection Efficiency Time [sec]
Wall layer 1 Wall layer 3 Wall layer 5 Wall layer 7 Wall layer 9
Filter wall
Integrating Filtration Mechanism with a 3D Diesel Particulate Filter (DPF) Model using STAR-CCM+
Objective Background Theoretical Analysis Experiment Computing Environment Model Setup
Model Results
Summary Future Work Acknowledgement Filtration Algorithm
Porosity (ρs,cake=120 kg/m3) Thickness (@ 1000 s) Maintain 0.99↑ during first 1000 seconds of filtration
Integrating Filtration Mechanism with a 3D Diesel Particulate Filter (DPF) Model using STAR-CCM+
Objective Background Theoretical Analysis Experiment Computing Environment Model Setup Model Results
Summary
Future Work Acknowledgement Filtration Algorithm
Integrating Filtration Mechanism with a 3D Diesel Particulate Filter (DPF) Model using STAR-CCM+
Create additional soot cake regions near the surface of the plugs to take into account plugging effects. Create the downstream region to consider flow-expansion effects.
Objective Background Theoretical Analysis Experiment Computing Environment Model Setup Model Results Summary
Future Work
Acknowledgement
Utilize soot filtration simulation results (soot mass distribution and soot cake profile) for the initial state of regeneration simulation. Apply chemical kinetics of soot oxidation in consideration of the effects of O2, CO, NO2 and HCs (additional user subroutines need to be developed).
Filtration Algorithm
Integrating Filtration Mechanism with a 3D Diesel Particulate Filter (DPF) Model using STAR-CCM+
Hubert Ley hley@anl.gov TRACC Director Steven Lottes slottes@anl.gov Simulation, Modeling, Analysis Leader Cezary Bojanowski cbojanowski@anl.gov Computational Mechanics Engineer Waldemar Nowakowski wnowakowski@anl.gov System Administrator
Objective Background Theoretical Analysis Experiment Computing Environment Model Setup Model Results Summary Future Work
Acknowledgement
Scott Wilensky scott.wilensky@cd-adapco.com East Region Technical Support Team Lead
Filtration Algorithm
Integrating Filtration Mechanism with a 3D Diesel Particulate Filter (DPF) Model using STAR-CCM+