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LUND UNIVERSITY LIBRARIES

Investigation and Enhancement of a Cu-ZSM-5 SCR Catalyst Model

Thorberg, Sara LU (2013) FYSK01 20131
Department of Physics
Abstract
The aim of this study has been to enhance LOGE's semi-detailed Cu-ZSM-5 SCR catalyst model in areas where it lacks to catch important effects. It is important to have an accurate and CPU efficient kinetic model for the catalysis in the work towards minimizing polluting NOx in the exhaust gas from diesel engines.

Investigations were done on the kinetic model through a few transient experiments including NO oxidation, NH3 oxidation and a NH3 SCR experiment. The effects were tested when adjusting different parameters and an adsorption reaction for NO2 was added to the kinetic model. The simulated results were compared with experimental values. Adjustment on the kinetic parameters in the NO oxidation reaction led to a slight enhancement... (More)
The aim of this study has been to enhance LOGE's semi-detailed Cu-ZSM-5 SCR catalyst model in areas where it lacks to catch important effects. It is important to have an accurate and CPU efficient kinetic model for the catalysis in the work towards minimizing polluting NOx in the exhaust gas from diesel engines.

Investigations were done on the kinetic model through a few transient experiments including NO oxidation, NH3 oxidation and a NH3 SCR experiment. The effects were tested when adjusting different parameters and an adsorption reaction for NO2 was added to the kinetic model. The simulated results were compared with experimental values. Adjustment on the kinetic parameters in the NO oxidation reaction led to a slight enhancement and results also showed that the additional adsorption reaction was sufficient to catch the desired effects.

This work shows that a semi-detailed kinetic model is sufficient to capture important effects in the catalytic reduction. The model would however need to be validated through more experiments in order to generalize the results. For further improvements on the model a more complex kinetic model would be required, which could include adsorption of more species and alternative reactions. (Less)
Abstract (Swedish)
Syftet med den här studien har varit att förbättra LOGEs semidetaljerade katalysatormodel Cu-ZSM-5 på dem delarna där modellen missar viktiga effekter. Det är viktigt att ha en riktigt och CPU-effektiv kinetisk modell för katalysatorn i arbetet mot att minska förorenande NOx i avgaserna från en dieselmotor.

Undersökningen av den kinetiska modellen utfördes genom transienta experiment som NO oxidation, NH3 oxidation och ett NH3 SCR experiment. Effekterna undersöktes när olika parametrar ändrades och en adsorptionsreaktion för NO2 lades till i den kinetiska modellen. Resultaten från simuleringar jämfördes med experimentella värden. Justering av de kinetiska parametrarna i NO oxidationen ledde till en viss förbättring. Dessutom visade... (More)
Syftet med den här studien har varit att förbättra LOGEs semidetaljerade katalysatormodel Cu-ZSM-5 på dem delarna där modellen missar viktiga effekter. Det är viktigt att ha en riktigt och CPU-effektiv kinetisk modell för katalysatorn i arbetet mot att minska förorenande NOx i avgaserna från en dieselmotor.

Undersökningen av den kinetiska modellen utfördes genom transienta experiment som NO oxidation, NH3 oxidation och ett NH3 SCR experiment. Effekterna undersöktes när olika parametrar ändrades och en adsorptionsreaktion för NO2 lades till i den kinetiska modellen. Resultaten från simuleringar jämfördes med experimentella värden. Justering av de kinetiska parametrarna i NO oxidationen ledde till en viss förbättring. Dessutom visade resultat att den tillagda adsorptionsreaktionen var tillräcklig för att fånga dem önskvärda effekterna.

Det här arbetet visar att en semidetaljerad kinetisk modell är tillräcklig för att fånga viktiga effekter i den katalytiska reduceringen. Modellen behöver dock bli validerad genom flera experiment innan resultaten kan ses som generella. För ytterligare förbättringar på modellen krävs troligtvis en mer komplex kinetisk modell. En sådan skulle kunna innehålla adsorption av flera slag och alternativa reaktioner. (Less)
Please use this url to cite or link to this publication:
author
Thorberg, Sara LU
supervisor
organization
course
FYSK01 20131
year
type
M2 - Bachelor Degree
subject
keywords
Catalyst, Cu-ZSM-5, SCR, modelling, chemical kinetics.
language
English
id
4017495
date added to LUP
2013-09-12 19:23:45
date last changed
2013-09-12 19:23:45
@misc{4017495,
  abstract     = {The aim of this study has been to enhance LOGE's semi-detailed Cu-ZSM-5 SCR catalyst model in areas where it lacks to catch important effects. It is important to have an accurate and CPU efficient kinetic model for the catalysis in the work towards minimizing polluting NOx in the exhaust gas from diesel engines. 

Investigations were done on the kinetic model through a few transient experiments including NO oxidation, NH3 oxidation and a NH3 SCR experiment. The effects were tested when adjusting different parameters and an adsorption reaction for NO2 was added to the kinetic model. The simulated results were compared with experimental values. Adjustment on the kinetic parameters in the NO oxidation reaction led to a slight enhancement and results also showed that the additional adsorption reaction was sufficient to catch the desired effects.

This work shows that a semi-detailed kinetic model is sufficient to capture important effects in the catalytic reduction. The model would however need to be validated through more experiments in order to generalize the results. For further improvements on the model a more complex kinetic model would be required, which could include adsorption of more species and alternative reactions.},
  author       = {Thorberg, Sara},
  keyword      = {Catalyst,Cu-ZSM-5,SCR,modelling,chemical kinetics.},
  language     = {eng},
  note         = {Student Paper},
  title        = {Investigation and Enhancement of a Cu-ZSM-5 SCR Catalyst Model},
  year         = {2013},
}