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Title: Time-resolved quantification of key species and mechanistic insights in low-temperature tetrahydrofuran oxidation

Journal Article · · Physical Chemistry Chemical Physics. PCCP
DOI: https://doi.org/10.1039/D3CP06227A · OSTI ID:2325539

Time-resolved photoionization mass spectrometry quantifies key reaction intermediates in tetrahydrofuran oxidation. Comparison with simulations reveals the critical role of competing isomerization and bond scission reactions of ROO, QOOH, and OOQOOH.

Sponsoring Organization:
USDOE
Grant/Contract Number:
NONE; AC02-05CH11231
OSTI ID:
2325539
Journal Information:
Physical Chemistry Chemical Physics. PCCP, Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Issue: 13 Vol. 26; ISSN 1463-9076; ISSN PPCPFQ
Publisher:
Royal Society of Chemistry (RSC)Copyright Statement
Country of Publication:
United Kingdom
Language:
English

References (44)

A review of controlling strategies of the ignition timing and combustion phase in homogeneous charge compression ignition (HCCI) engine journal February 2021
A study of the UV—visible absorption spectrum of molecular chlorine journal March 1993
Diastereomers and Low-Temperature Oxidation journal September 2021
Direct time-resolved detection and quantification of key reactive intermediates in diethyl ether oxidation at T = 450–600 K journal January 2020
Non-Boltzmann Effects in Chain Branching and Pathway Branching for Diethyl Ether Oxidation journal October 2021
Chemical-kinetic modeling of ignition delay: Considerations in interpreting shock tube data journal March 2010
Oxalyl chloride, ClC(O)C(O)Cl: UV/vis spectrum and Cl atom photolysis quantum yields at 193, 248, and 351 nm journal October 2012
Gas phase oxidation of tetrahydrofuran journal September 1988
Probing O2-dependence of tetrahydrofuranyl reactions via isomer-resolved speciation journal February 2023
Isomer-Selective Detection of Keto-Hydroperoxides in the Low-Temperature Oxidation of Tetrahydrofuran journal September 2019
Quantitative Detection of Products and Radical Intermediates in Low-Temperature Oxidation of Cyclopentane journal May 2021
Experimental Characterization of Tetrahydrofuran Low-Temperature Oxidation Products Including Ketohydroperoxides and Highly Oxygenated Molecules journal December 2020
Genetic algorithm optimization of a master equation cyclopentane oxidation model against time-resolved speciation experiments journal November 2023
Developing the Low‐Temperature Oxidation Mechanism of Cyclopentane: An Experimental and Theoretical Study journal January 2022
The fuel of atmospheric chemistry: Toward a complete description of reactive organic carbon journal February 2020
One-Step Catalytic Transformation of Carbohydrates and Cellulosic Biomass to 2,5-Dimethyltetrahydrofuran for Liquid Fuels journal April 2010
Progress in Understanding Low-Temperature Organic Compound Oxidation Using a Jet-Stirred Reactor: LOW-TEMPERATURE ORGANIC COMPOUND OXIDATION USING A JET-STIRRED REACTOR journal August 2014
Ignition delay time measurement and kinetic modeling of furan, and comparative studies of 2,3-dihydrofuran and tetrahydrofuran at low to intermediate temperatures by using a rapid compression machine journal March 2020
Kinetics of elementary reactions in low-temperature autoignition chemistry journal August 2011
Insights on keto-hydroperoxide formation from O2 addition to the beta-tetrahydrofuran radical journal January 2021
From theoretical reaction dynamics to chemical modeling of combustion journal January 2017
Chemical kinetics of cyclic ethers in combustion journal September 2022
Quantification of Key Peroxy and Hydroperoxide Intermediates in the Low-Temperature Oxidation of Dimethyl Ether journal December 2022
Influence of functional groups on low-temperature combustion chemistry of biofuels journal September 2021
Selective and Flexible Transformation of Biomass-Derived Platform Chemicals by a Multifunctional Catalytic System journal June 2010
Screening Pathways for the Production of Next Generation Biofuels journal December 2015
Pressure-Dependent Competition among Reaction Pathways from First- and Second-O 2 Additions in the Low-Temperature Oxidation of Tetrahydrofuran journal August 2016
A review on low temperature combustion engines: Performance, combustion and emission characteristics journal December 2019
Exploring hydroperoxides in combustion: History, recent advances and perspectives journal July 2019
Absolute photoionization cross-section of the propargyl radical journal April 2012
Kinetics and Thermochemistry of 2,5-Dimethyltetrahydrofuran and Related Oxolanes: Next Next-Generation Biofuels journal April 2012
Experimental Confirmation of the Low-Temperature Oxidation Scheme of Alkanes journal April 2010
The Ignition and Oxidation of Tetrahydrofuran: Experiments and Kinetic Modeling journal June 1998
An experimental and theoretical kinetic study of the reaction of OH radicals with tetrahydrofuran journal January 2017
Combustion chemistry in the twenty-first century: Developing theory-informed chemical kinetics models journal March 2021
The multiplexed chemical kinetic photoionization mass spectrometer: A new approach to isomer-resolved chemical kinetics journal October 2008
Recent advances in laser absorption and shock tube methods for studies of combustion chemistry journal October 2014
Experimental Study of Tetrahydrofuran Oxidation and Ignition in Low-Temperature Conditions journal August 2015
Advanced compression-ignition engines—understanding the in-cylinder processes journal January 2009
Advances and challenges in laminar flame experiments and implications for combustion chemistry journal August 2014
Insights into Constraining Rate Coefficients in Fuel Oxidation Mechanisms Using Genetic Algorithm Optimization journal September 2023
A model of tetrahydrofuran low-temperature oxidation based on theoretically calculated rate constants journal May 2018
Sensitive Mass Spectrometer for Time-Resolved Gas-Phase Chemistry Studies at High Pressures journal November 2019
A complete basis set model chemistry. VII. Use of the minimum population localization method journal April 2000

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