Powertrain Engineering - Your Partner in Engine Design, Development & Testing . . . 1D Simulation Modeling of SCR Catalyst at Steady State Condition Presented by Hitesh Chaudhari & Mohak Samant The Automotive Research Association of India, Pune 6 th February 2017
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Powertrain Engineering - Your Partner in Engine
Design, Development & Testing . . .
1D Simulation Modeling of SCR Catalyst at Steady State Condition
Presented by
Hitesh Chaudhari & Mohak Samant
The Automotive Research Association of India, Pune
6th February 2017
Powertrain Engineering - Your Partner in Engine
Design, Development & Testing . . . 2
Objective
SCR Chemical Kinetics
SCR Model Validation at Steady State Condition
• Vanadium Catalyst
• Fe-Zeolite Catalyst
• Cu-Zeolite Catalyst
1D Simulation Methodology for Cu-Zeolite Catalyst
• Ammonia Storage modelling
• NOX reduction reactions modelling
Model Predictions for Supplier Data
Summary
Overview
Powertrain Engineering - Your Partner in Engine
Design, Development & Testing . . .
SCR catalyst material and size selection for required performance
Establish 1D simulation methodology for kinetic parameter tuning
Reference: K. Narayanaswamy, Yongsheng He, “Modelling of Copper Zeolite Selective Catalytic Reduction(SCR) catalysts at steady and transient conditions” SAE 2008-01-0615
• Adsorption/desorption reactions calibrated with TPD data
• Steady state experiments to validate NOX reduction reactions
Powertrain Engineering - Your Partner in Engine
Design, Development & Testing . . . 14
Objective
SCR Chemical Kinetics
SCR Model Validation at Steady State Condition
• Vanadium Catalyst
• Fe-Zeolite Catalyst
• Cu-Zeolite Catalyst
1D Simulation Methodology for Cu-Zeolite Catalyst
• Ammonia Storage modelling
• NOX reduction reactions modelling
Model Predictions for Supplier Data
Summary
Overview
Powertrain Engineering - Your Partner in Engine
Design, Development & Testing . . . 15
NH3 Adsorption/Desorption Calibration
Simulated TPD experiment with single site modelling approach
Inputs for Ammonia storage modelling: • TPD Experiment data from SGB • Inlet gas feed mass flow rate • Inlet gas feed composition • Catalyst sample volume
Image source: “Study of Urea-Water solution injection spray in De-Nox SCR system”, ISSN-2249-555
Temperature Programmed Desorption Experiment (TPD)
Simulated TPD experiment with two site modelling approach
Powertrain Engineering - Your Partner in Engine
Design, Development & Testing . . . 16
NH3 Adsorption/Desorption Calibration- Two Site Approach
Reference: K. Narayanaswamy, Yongsheng He, “Modelling of Copper Zeolite Selective Catalytic Reduction(SCR) catalysts at steady and transient conditions” SAE 2008-01-0615
• Model is calibrated with TPD at 150 degC • Calibrated rate constants are verified with remaining experiments • Two site modelling approach offers more proximity to experimental data
Powertrain Engineering - Your Partner in Engine
Design, Development & Testing . . . 17
Objective
SCR Chemical Kinetics
SCR Model Validation at Steady State Condition
• Vanadium Catalyst
• Fe-Zeolite Catalyst
• Cu-Zeolite Catalyst
1D Simulation Methodology for Cu-Zeolite Catalyst
• Ammonia Storage modelling
• NOX reduction reactions modelling
Model Predictions for Supplier Data
Summary
Overview
Powertrain Engineering - Your Partner in Engine
Design, Development & Testing . . . 18
Steady State NOX Reduction Calibration
Typical steady state experiments used for calibration*
Inputs Required: • Steady state experiment data from SGB • Calibrated reaction rate constants from TPD
experiment • Inlet gas feed mass flow rate • Inlet gas feed composition • Catalyst sample volume
*Ref.: K. Narayanaswamy, Yongsheng He, “Modelling of Copper Zeolite Selective Catalytic Reduction(SCR) catalysts at steady and transient conditions” SAE 2008-01-0615
Powertrain Engineering - Your Partner in Engine
Design, Development & Testing . . . 19
• Log space optimisation is faster and precise optimisation technique
• Genetic Algorithm with parameter sweep offers robust solution
Surface reaction template with two site approach
Minimised error function with Genetic Algorithm
Calibrated log spaces for reaction rate constants
Total Error function
Steady State NOX Reduction Calibration
Powertrain Engineering - Your Partner in Engine
Design, Development & Testing . . . 20
Significant Under-predictions at higher NO2 fraction in gas feed
Steady State NOX Reduction Calibration
Powertrain Engineering - Your Partner in Engine
Design, Development & Testing . . . 21
1D Numerical Model Calibration Methodology
Calibrated 1D SCR model
Temperature, Mass flow rate, Composition, Catalyst properties
Simulate Ammonia step feed experiment
Simulate transient gas bench experiments for further maturity of
the model
SCR standalone model building
Fine tune Model predictions using optimiser tool
Opt for 2 site modelling approach for better prediction quality
Simulate Steady state gas bench experiments for NOX reduction
Fine tune Model predictions using robust optimiser tool