Experiments and modeling to evaluate global reaction kinetics of three-way catalyst light off for net-zero carbon fuels and selected fuel blends

Austin P. Ladshaw; Sreshtha Sinha Majumdar; Josh A. Pihl

doi:10.1016/j.apcatb.2022.122281

Experiments and modeling to evaluate global reaction kinetics of three-way catalyst light off for net-zero carbon fuels and selected fuel blends

Austin P. Ladshaw, Sreshtha Sinha Majumdar, Josh A. Pihl

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

Abstract

Internal combustion engine exhaust composition can have a significant impact on the light-off characteristics of CO, NO, and organics in the three-way-catalyst during cold-start. The U.S. Department of Energy's Co-Optimization of Fuels and Engines initiative was aimed at developing new high-performance fuels, which raises the question of how current three-way-catalysts will perform if the exhaust composition is significantly changed. This work is aimed at quantifying the performance of the catalyst under a variety of different fuel components and mixtures. To this end, a reduced-order model is developed wherein the set of organics examined are placed into molecular groups based on their reactivities and to model each organic within that group with a common kinetic expression. This strategy allows for a first approximation to the light-off characteristics of all organics that fall within that group and to make predictions for fuel blends.

Original language	English
Article number	122281
Journal	Applied Catalysis B: Environmental
Volume	324
DOIs	https://doi.org/10.1016/j.apcatb.2022.122281
State	Published - May 5 2023

Funding

This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05–00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (http://energy.gov/downloads/doe-public-access-plan). This research was supported by the DOE Office of Energy Efficiency and Renewable Energy (EERE), Bioenergy Technologies Office (BETO), and Vehicle Technologies Office (VTO) under the DOE Co-Optimization of Fuels and Engines Initiative and used resources at the National Transportation Research Center, a DOE-EERE User Facility at Oak Ridge National Laboratory. The authors gratefully acknowledge the support and direction of Kevin Stork at VTO, Alicia Lindauer at BETO, and the Co-Optima Leadership Team. This research was supported by the DOE Office of Energy Efficiency and Renewable Energy (EERE), Bioenergy Technologies Office (BETO), and Vehicle Technologies Office (VTO) under the DOE Co-Optimization of Fuels and Engines Initiative and used resources at the National Transportation Research Center, a DOE-EERE User Facility at Oak Ridge National Laboratory. The authors gratefully acknowledge the support and direction of Kevin Stork at VTO, Alicia Lindauer at BETO, and the Co-Optima Leadership Team. This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05–00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (http://energy.gov/downloads/doe-public-access-plan).

Funders	Funder number
DOE Public Access Plan
DOE-EERE
United States Government
U.S. Department of Energy
Office of Energy Efficiency and Renewable Energy
Oak Ridge National Laboratory	DE-AC05–00OR22725
Bioenergy Technologies Office

Keywords

Biofuel
Blends
Net-zero carbon fuel
Stoichiometric light off
Three-way catalyst

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1016/j.apcatb.2022.122281

Cite this

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title = "Experiments and modeling to evaluate global reaction kinetics of three-way catalyst light off for net-zero carbon fuels and selected fuel blends",

abstract = "Internal combustion engine exhaust composition can have a significant impact on the light-off characteristics of CO, NO, and organics in the three-way-catalyst during cold-start. The U.S. Department of Energy's Co-Optimization of Fuels and Engines initiative was aimed at developing new high-performance fuels, which raises the question of how current three-way-catalysts will perform if the exhaust composition is significantly changed. This work is aimed at quantifying the performance of the catalyst under a variety of different fuel components and mixtures. To this end, a reduced-order model is developed wherein the set of organics examined are placed into molecular groups based on their reactivities and to model each organic within that group with a common kinetic expression. This strategy allows for a first approximation to the light-off characteristics of all organics that fall within that group and to make predictions for fuel blends.",

keywords = "Biofuel, Blends, Net-zero carbon fuel, Stoichiometric light off, Three-way catalyst",

author = "Ladshaw, {Austin P.} and Majumdar, {Sreshtha Sinha} and Pihl, {Josh A.}",

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AU - Ladshaw, Austin P.

AU - Majumdar, Sreshtha Sinha

AU - Pihl, Josh A.

PY - 2023/5/5

Y1 - 2023/5/5

N2 - Internal combustion engine exhaust composition can have a significant impact on the light-off characteristics of CO, NO, and organics in the three-way-catalyst during cold-start. The U.S. Department of Energy's Co-Optimization of Fuels and Engines initiative was aimed at developing new high-performance fuels, which raises the question of how current three-way-catalysts will perform if the exhaust composition is significantly changed. This work is aimed at quantifying the performance of the catalyst under a variety of different fuel components and mixtures. To this end, a reduced-order model is developed wherein the set of organics examined are placed into molecular groups based on their reactivities and to model each organic within that group with a common kinetic expression. This strategy allows for a first approximation to the light-off characteristics of all organics that fall within that group and to make predictions for fuel blends.

AB - Internal combustion engine exhaust composition can have a significant impact on the light-off characteristics of CO, NO, and organics in the three-way-catalyst during cold-start. The U.S. Department of Energy's Co-Optimization of Fuels and Engines initiative was aimed at developing new high-performance fuels, which raises the question of how current three-way-catalysts will perform if the exhaust composition is significantly changed. This work is aimed at quantifying the performance of the catalyst under a variety of different fuel components and mixtures. To this end, a reduced-order model is developed wherein the set of organics examined are placed into molecular groups based on their reactivities and to model each organic within that group with a common kinetic expression. This strategy allows for a first approximation to the light-off characteristics of all organics that fall within that group and to make predictions for fuel blends.

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KW - Blends

KW - Net-zero carbon fuel

KW - Stoichiometric light off

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Experiments and modeling to evaluate global reaction kinetics of three-way catalyst light off for net-zero carbon fuels and selected fuel blends

Abstract

Funding

Keywords

UN SDGs

Access to Document

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