Published September 2018 | Version v1
Journal article

Analysis of the potential atmospheric impact of the reaction of N2O with OH

  • 1. Quantum Theory Project, Department of Chemistry and Physics, University of Florida, Gainesville, FL 32611 (United States)
  • 2. Departments of Chemistry and Atmospheric Sciences, Colorado State University, Ft. Collins, CO 80523 (United States)

Description

Highlights: • Nitrous oxide is a greenhouse gas and a potential O3-depleting substance. • OH, Cl, and NO3 do not react so rapidly with N2O. • These reactions cannot be measured using the best of laboratory techniques. • A reaction of N2O with OH would impact the atmospheric lifetime of N2O. • Mechanism and kinetics of the N2O + OH reaction have been studied. The reaction of nitrous oxide (N2O) with hydroxyl (OH) is studied using high-level quantum chemistry and advanced chemical kinetics techniques. Three reaction mechanisms including a direct O-abstraction, an unusual indirect O-abstraction, and OH-addition/NO-elimination have been characterized. Reaction enthalpies calculated from first principles agree well with those of experiment. Chemical kinetics results show that the title reaction is not a candidate for short or long-time removal of N2O (with an atmospheric lifetime of at least 1 × 1013 years) from the atmosphere but may play a minor role in high-temperature combustion where it may convert N2O pollutants to N2.

Availability note (English)

Available from http://dx.doi.org/10.1016/j.cplett.2018.08.014

Additional details

Identifiers

DOI
10.1016/j.cplett.2018.08.014;
PII
S0009261418306328;

Publishing Information

Journal Title
Chemical Physics Letters
Journal Volume
708
Journal Page Range
p. 100-105
ISSN
0009-2614
CODEN
CHPLBC

INIS

Country of Publication
Netherlands
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
54071628
Subject category
S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
Descriptors DEI
COMBUSTION; HEAT; HYDROXIDES; LIFETIME; NITRIC OXIDE; NITROUS OXIDE; OZONE; POLLUTANTS; REACTION KINETICS; REMOVAL
Descriptors DEC
CHALCOGENIDES; CHEMICAL REACTIONS; ENERGY; HYDROGEN COMPOUNDS; KINETICS; NITROGEN COMPOUNDS; NITROGEN OXIDES; OXIDATION; OXIDES; OXYGEN COMPOUNDS; THERMOCHEMICAL PROCESSES

Optional Information

Copyright
Copyright (c) 2018 Published by Elsevier B.V.