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Towards an Understanding of the Chemical Formation Pathways of Polycyclic Aromatic Hydrocarbons (PAHs) in Sooting Flames.

Record Type:	Electronic resources : Monograph/item
Title/Author:	Towards an Understanding of the Chemical Formation Pathways of Polycyclic Aromatic Hydrocarbons (PAHs) in Sooting Flames./
Author:	Mitra, Tirthankar.
Published:	Ann Arbor : ProQuest Dissertations & Theses, : 2021,
Description:	267 p.
Notes:	Source: Dissertations Abstracts International, Volume: 83-01, Section: B.
Contained By:	Dissertations Abstracts International83-01B.
Subject:	Energy. -
Online resource:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=28151381
ISBN:	9798522941949

Towards an Understanding of the Chemical Formation Pathways of Polycyclic Aromatic Hydrocarbons (PAHs) in Sooting Flames.
Mitra, Tirthankar.

Towards an Understanding of the Chemical Formation Pathways of Polycyclic Aromatic Hydrocarbons (PAHs) in Sooting Flames. - Ann Arbor : ProQuest Dissertations & Theses, 2021 - 267 p.

Source: Dissertations Abstracts International, Volume: 83-01, Section: B.

Thesis (Ph.D.)--University of Toronto (Canada), 2021.

This item is not available from ProQuest Dissertations & Theses.

Combustion of hydrocarbons inadvertently produces soot which has detrimental effects on both health and environment. Polycyclic Aromatic Hydrocarbons (PAHs) play a central role in soot formation. Several chemical pathways have been predicted to explain the growth of PAH growth during combustion like sequential addition of small species (C1, C2, C3), reactions between aromatic radicals and reactions of Resonantly Stabilised Radicals (RSRs) with another RSR or PAH. These pathways have been developed based on the experimental trends. However, the experimental dataset available in the literature is limited especially for coflow diffusion flames. As a result, a chemical mechanism developed based on the experimental results of one fuel or flame configuration can not explain the PAH growth for other fuels or burner configuration. The uncertainty increases as the PAHs grow larger and depart from the gas-phase. Some studies suggest that this departure starts as PAHs containing 13-16 rings are formed. Other studies suggest that the medium-sized PAHs (containing four or five rings) depart from the gas-phase to form soot.This thesis presents an extensive and comprehensive database comprising of PAHs, soot volume fraction, temperature and soot morphology for aliphatic and aromatic fuels in a coflow diffusion flame. The thesis describes the relationship between the fuel structure and the PAH formation pathways. The potential global chemical pathways for PAH growth discussed here can help in developing more comprehensive and accurate chemical mechanisms. The experimental results show that for aliphatic fuels, PAH growth takes place mainly by sequential addition. For alkylated aromatic, the growth of PAHs take place by the reactions between RSRs, reactions between aromatic radicals and hydrogenation of PAHs followed by addition of methyl radicals. The thesis also discusses the surface chemistry of particulates. The surface composition of the young soot is dominated by medium-sized PAHs and is similar to the gas-phase in its vicinity. With the increase in flame temperature or degree of maturity of the particles, medium-sized PAHs desorb from the surface of the particles into the gas-phase. Large PAHs are dominant only on the surface of the mature particles suggesting that these PAHs might be growing on the surface.

ISBN: 9798522941949Subjects--Topical Terms:

876794
Energy.
Subjects--Index Terms:

Combustion

Towards an Understanding of the Chemical Formation Pathways of Polycyclic Aromatic Hydrocarbons (PAHs) in Sooting Flames.
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245 1 0 $a Towards an Understanding of the Chemical Formation Pathways of Polycyclic Aromatic Hydrocarbons (PAHs) in Sooting Flames.
260 1 $a Ann Arbor : $b ProQuest Dissertations & Theses, $c 2021
300 $a 267 p.
500 $a Source: Dissertations Abstracts International, Volume: 83-01, Section: B.
500 $a Advisor: Thomson, Murray.
502 $a Thesis (Ph.D.)--University of Toronto (Canada), 2021.
506 $a This item is not available from ProQuest Dissertations & Theses.
506 $a This item must not be sold to any third party vendors.
520 $a Combustion of hydrocarbons inadvertently produces soot which has detrimental effects on both health and environment. Polycyclic Aromatic Hydrocarbons (PAHs) play a central role in soot formation. Several chemical pathways have been predicted to explain the growth of PAH growth during combustion like sequential addition of small species (C1, C2, C3), reactions between aromatic radicals and reactions of Resonantly Stabilised Radicals (RSRs) with another RSR or PAH. These pathways have been developed based on the experimental trends. However, the experimental dataset available in the literature is limited especially for coflow diffusion flames. As a result, a chemical mechanism developed based on the experimental results of one fuel or flame configuration can not explain the PAH growth for other fuels or burner configuration. The uncertainty increases as the PAHs grow larger and depart from the gas-phase. Some studies suggest that this departure starts as PAHs containing 13-16 rings are formed. Other studies suggest that the medium-sized PAHs (containing four or five rings) depart from the gas-phase to form soot.This thesis presents an extensive and comprehensive database comprising of PAHs, soot volume fraction, temperature and soot morphology for aliphatic and aromatic fuels in a coflow diffusion flame. The thesis describes the relationship between the fuel structure and the PAH formation pathways. The potential global chemical pathways for PAH growth discussed here can help in developing more comprehensive and accurate chemical mechanisms. The experimental results show that for aliphatic fuels, PAH growth takes place mainly by sequential addition. For alkylated aromatic, the growth of PAHs take place by the reactions between RSRs, reactions between aromatic radicals and hydrogenation of PAHs followed by addition of methyl radicals. The thesis also discusses the surface chemistry of particulates. The surface composition of the young soot is dominated by medium-sized PAHs and is similar to the gas-phase in its vicinity. With the increase in flame temperature or degree of maturity of the particles, medium-sized PAHs desorb from the surface of the particles into the gas-phase. Large PAHs are dominant only on the surface of the mature particles suggesting that these PAHs might be growing on the surface.
590 $a School code: 0779.
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650 4 $a Mechanical engineering. $3 649730
650 4 $a Chemical engineering. $3 560457
650 4 $a Carbon black. $3 3681396
650 4 $a Principal components analysis. $3 565921
650 4 $a Datasets. $3 3541416
650 4 $a Gases. $3 559387
650 4 $a Trouble shooting. $3 3686329
650 4 $a Temperature. $3 711968
650 4 $a Chemical reactions. $3 519248
650 4 $a Hydrogen. $3 580023
650 4 $a Chromatography. $3 1073639
650 4 $a Polycyclic aromatic hydrocarbons. $3 697430
653 $a Combustion
653 $a Fuel
653 $a Gas chromatography mass spectroscopy
653 $a Hydrocarbon
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653 $a Soot
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