Investigation of the initial reactions of the Calcote mechanism for soot formation

H. Egsgaard

doi:10.1016/1044-0305(95)00708-3

Investigation of the initial reactions of the Calcote mechanism for soot formation

H. Egsgaard

Research output: Contribution to journal › Journal article › Research › peer-review

Abstract

The first three reactions of the Calcote mechanism for soot formation, that is, C₃H₃/⁺ + C₂H₂ → C₅H₅/⁺, C₅H₅/⁺ → C₅H₃/⁺ + H₂, and C₅H₃/⁺ + C₂H2 → C₇H₅/⁺, have been studied based on chemi-ions withdrawn directly from a premixed methane oxygen flame by supersonic molecular beam sampling. The first reaction is reversible and involves the formation of a specific encounter complex sensitive to pressure and ion kinetic energy. The second reaction appears to require large amounts of internal energy in the C₅H₅/⁺ ion to proceed. The third reaction is reversible; however, in contrast to the initiating reaction, the C₅H₃/⁺ ion formed from the [C₇H₅/⁺]* complex exhibits a much lower reactivity. The conclusions are based on ion-molecule reactions as well as collision activation mass spectrometry of isolated chemi-ions. In addition, the product distributions as functions of pressure and ion kinetic energy were studied.

Original language	English
Journal	Journal of the American Society for Mass Spectrometry
Volume	7
Pages (from-to)	559-564
ISSN	1044-0305
DOIs	https://doi.org/10.1016/1044-0305(95)00708-3
Publication status	Published - 1996

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title = "Investigation of the initial reactions of the Calcote mechanism for soot formation",

abstract = "The first three reactions of the Calcote mechanism for soot formation, that is, C3H3/+ + C2H2 → C5H5/+, C5H5/+ → C5H3/+ + H2, and C5H3/+ + C2H2 → C7H5/+, have been studied based on chemi-ions withdrawn directly from a premixed methane oxygen flame by supersonic molecular beam sampling. The first reaction is reversible and involves the formation of a specific encounter complex sensitive to pressure and ion kinetic energy. The second reaction appears to require large amounts of internal energy in the C5H5/+ ion to proceed. The third reaction is reversible; however, in contrast to the initiating reaction, the C5H3/+ ion formed from the [C7H5/+]* complex exhibits a much lower reactivity. The conclusions are based on ion-molecule reactions as well as collision activation mass spectrometry of isolated chemi-ions. In addition, the product distributions as functions of pressure and ion kinetic energy were studied.",

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author = "H. Egsgaard",

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language = "English",

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journal = "Journal of the American Society for Mass Spectrometry",

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T1 - Investigation of the initial reactions of the Calcote mechanism for soot formation

AU - Egsgaard, H.

PY - 1996

Y1 - 1996

N2 - The first three reactions of the Calcote mechanism for soot formation, that is, C3H3/+ + C2H2 → C5H5/+, C5H5/+ → C5H3/+ + H2, and C5H3/+ + C2H2 → C7H5/+, have been studied based on chemi-ions withdrawn directly from a premixed methane oxygen flame by supersonic molecular beam sampling. The first reaction is reversible and involves the formation of a specific encounter complex sensitive to pressure and ion kinetic energy. The second reaction appears to require large amounts of internal energy in the C5H5/+ ion to proceed. The third reaction is reversible; however, in contrast to the initiating reaction, the C5H3/+ ion formed from the [C7H5/+]* complex exhibits a much lower reactivity. The conclusions are based on ion-molecule reactions as well as collision activation mass spectrometry of isolated chemi-ions. In addition, the product distributions as functions of pressure and ion kinetic energy were studied.

AB - The first three reactions of the Calcote mechanism for soot formation, that is, C3H3/+ + C2H2 → C5H5/+, C5H5/+ → C5H3/+ + H2, and C5H3/+ + C2H2 → C7H5/+, have been studied based on chemi-ions withdrawn directly from a premixed methane oxygen flame by supersonic molecular beam sampling. The first reaction is reversible and involves the formation of a specific encounter complex sensitive to pressure and ion kinetic energy. The second reaction appears to require large amounts of internal energy in the C5H5/+ ion to proceed. The third reaction is reversible; however, in contrast to the initiating reaction, the C5H3/+ ion formed from the [C7H5/+]* complex exhibits a much lower reactivity. The conclusions are based on ion-molecule reactions as well as collision activation mass spectrometry of isolated chemi-ions. In addition, the product distributions as functions of pressure and ion kinetic energy were studied.

KW - Atmosfæriske processers betydning for miljøet; Vindenergi og atmosfæriske processer

U2 - 10.1016/1044-0305(95)00708-3

DO - 10.1016/1044-0305(95)00708-3

M3 - Journal article

SN - 1044-0305

VL - 7

SP - 559

EP - 564

JO - Journal of the American Society for Mass Spectrometry

JF - Journal of the American Society for Mass Spectrometry

ER -

Investigation of the initial reactions of the Calcote mechanism for soot formation

Abstract

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