Investigation into the atmospheric degradation of alpha-phellandrene: A computational, experimental and modelling study.

Felix Alexander Mackenzie-Rae

Research output: ThesisDoctoral Thesis

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Abstract

Monoterpenes (C10H16) account for a significant fraction of nonmethane hydrocarbons emitted into the atmosphere, playing an important role in tropospheric chemistry with impacts on both climate and human health. In this thesis the tropospheric decomposition of one of the most reactive monoterpenes, a-phellandrene, which is primarily emitted by eucalypts, is examined in detail for the first time. Characterisation is achieved through the use of high-level computational chemistry, 24 smog chamber experiments (ozonalysis, NO2, photooxidation), and explicit chemical mechanism construction and evaluation against the experimental dataset. The multifaceted approach thus provides the first comprehensive description of the tropospheric degradation of a-phellendrene.
Original languageEnglish
QualificationDoctor of Philosophy
Awarding Institution
  • The University of Western Australia
Supervisors/Advisors
  • Saunders, Sandra Maria, Supervisor
  • McKinley, Allan, Supervisor
  • Wang, Xinming, Supervisor, External person
Thesis sponsors
Award date8 Jan 2018
DOIs
Publication statusUnpublished - 2018

Fingerprint

monoterpene
nonmethane hydrocarbon
degradation
smog
photooxidation
modeling
decomposition
atmosphere
climate
experiment
thesis
chemical
human health
evaluation

Cite this

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title = "Investigation into the atmospheric degradation of alpha-phellandrene: A computational, experimental and modelling study.",
abstract = "Monoterpenes (C10H16) account for a significant fraction of nonmethane hydrocarbons emitted into the atmosphere, playing an important role in tropospheric chemistry with impacts on both climate and human health. In this thesis the tropospheric decomposition of one of the most reactive monoterpenes, a-phellandrene, which is primarily emitted by eucalypts, is examined in detail for the first time. Characterisation is achieved through the use of high-level computational chemistry, 24 smog chamber experiments (ozonalysis, NO2, photooxidation), and explicit chemical mechanism construction and evaluation against the experimental dataset. The multifaceted approach thus provides the first comprehensive description of the tropospheric degradation of a-phellendrene.",
keywords = "alpha-phellendrene, volatile organic compound, smog chamber, Atmospheric chemistry, chemical mechanism, SECONDARY ORGANIC AEROSOL",
author = "Mackenzie-Rae, {Felix Alexander}",
year = "2018",
doi = "10.4225/23/5a714fe749d91",
language = "English",
school = "The University of Western Australia",

}

Investigation into the atmospheric degradation of alpha-phellandrene: A computational, experimental and modelling study. / Mackenzie-Rae, Felix Alexander.

2018.

Research output: ThesisDoctoral Thesis

TY - THES

T1 - Investigation into the atmospheric degradation of alpha-phellandrene: A computational, experimental and modelling study.

AU - Mackenzie-Rae, Felix Alexander

PY - 2018

Y1 - 2018

N2 - Monoterpenes (C10H16) account for a significant fraction of nonmethane hydrocarbons emitted into the atmosphere, playing an important role in tropospheric chemistry with impacts on both climate and human health. In this thesis the tropospheric decomposition of one of the most reactive monoterpenes, a-phellandrene, which is primarily emitted by eucalypts, is examined in detail for the first time. Characterisation is achieved through the use of high-level computational chemistry, 24 smog chamber experiments (ozonalysis, NO2, photooxidation), and explicit chemical mechanism construction and evaluation against the experimental dataset. The multifaceted approach thus provides the first comprehensive description of the tropospheric degradation of a-phellendrene.

AB - Monoterpenes (C10H16) account for a significant fraction of nonmethane hydrocarbons emitted into the atmosphere, playing an important role in tropospheric chemistry with impacts on both climate and human health. In this thesis the tropospheric decomposition of one of the most reactive monoterpenes, a-phellandrene, which is primarily emitted by eucalypts, is examined in detail for the first time. Characterisation is achieved through the use of high-level computational chemistry, 24 smog chamber experiments (ozonalysis, NO2, photooxidation), and explicit chemical mechanism construction and evaluation against the experimental dataset. The multifaceted approach thus provides the first comprehensive description of the tropospheric degradation of a-phellendrene.

KW - alpha-phellendrene

KW - volatile organic compound

KW - smog chamber

KW - Atmospheric chemistry

KW - chemical mechanism

KW - SECONDARY ORGANIC AEROSOL

U2 - 10.4225/23/5a714fe749d91

DO - 10.4225/23/5a714fe749d91

M3 - Doctoral Thesis

ER -