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Laser Absorption Shock Tube Study of C1 to C4n‐Alkyl Formate Pyrolysis.

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Title: Laser Absorption Shock Tube Study of C1 to C4n‐Alkyl Formate Pyrolysis.
Authors: Döntgen, Malte1 (AUTHOR) heufer@hgd.rwth-aachen.de, Wildenberg, Alina1 (AUTHOR), Heufer, Karl Alexander1 (AUTHOR)
Source: International Journal of Chemical Kinetics. May2026, Vol. 58 Issue 5, p199-209. 11p.
Subjects: Pyrolysis kinetics, Rate coefficients (Chemistry), Light absorption, Chemical reactions, Shock tubes, Fuel additives, Chemical kinetics, Formic acid
Abstract: n$n$‐Alkyl formates are considered as potential alternative fuels or fuel additives. While their oxidation chemistry has been investigated intensely, their pyrolysis chemistry requires more experimental insights. The present work utilizes shock tube experiments in combination with infrared laser absorption measurements to obtain information about the n$n$‐alkyl formate dissociation and to derive rate coefficients. These experiments are complemented with kinetics predictions. Methyl formate is found to be less reactive than the longer n‐alkyl formates, the latter of which have rather similar rate coefficients for dissociation towards n‐alkene and formic acid, with n‐butyl formate exhibiting the largest rate coefficient. The present experimental rate coefficients for n‐alkyl formate decomposition are found to agree well with experimental results from the literature. The decomposition of formic acid formed via dissociation of the longer n‐alkyl formates, the present experimental rate coefficient was initially assumed to deviate from theoretical predictions found in the literature. Yet when adjusting the collisional energy transfer parameters in the kinetics predictions, the present results can be reproduced through previous theoretical work. This indicates that formic acid might be very sensitive to the bath gas, which will be investigated in future work. With the present systematic investigation of C1${\rm C}_1$ to C4${\rm C}_4$n‐alkyl formates, detailed chemical kinetic modeling of n$n$‐alkyl formates will be aided in general. Moreover, the potential to gain insights at the elementary reaction level is revealed in the context of formic acid dissociation. [ABSTRACT FROM AUTHOR]
Copyright of International Journal of Chemical Kinetics is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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DbLabel: Engineering Source
An: 192505707
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PubTypeId: academicJournal
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  Data: Laser Absorption Shock Tube Study of C<subscript>1</subscript> to C<subscript>4</subscript>n‐Alkyl Formate Pyrolysis.
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  Data: <searchLink fieldCode="DE" term="%22Pyrolysis+kinetics%22">Pyrolysis kinetics</searchLink><br /><searchLink fieldCode="DE" term="%22Rate+coefficients+%28Chemistry%29%22">Rate coefficients (Chemistry)</searchLink><br /><searchLink fieldCode="DE" term="%22Light+absorption%22">Light absorption</searchLink><br /><searchLink fieldCode="DE" term="%22Chemical+reactions%22">Chemical reactions</searchLink><br /><searchLink fieldCode="DE" term="%22Shock+tubes%22">Shock tubes</searchLink><br /><searchLink fieldCode="DE" term="%22Fuel+additives%22">Fuel additives</searchLink><br /><searchLink fieldCode="DE" term="%22Chemical+kinetics%22">Chemical kinetics</searchLink><br /><searchLink fieldCode="DE" term="%22Formic+acid%22">Formic acid</searchLink>
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  Label: Abstract
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  Data: n$n$‐Alkyl formates are considered as potential alternative fuels or fuel additives. While their oxidation chemistry has been investigated intensely, their pyrolysis chemistry requires more experimental insights. The present work utilizes shock tube experiments in combination with infrared laser absorption measurements to obtain information about the n$n$‐alkyl formate dissociation and to derive rate coefficients. These experiments are complemented with kinetics predictions. Methyl formate is found to be less reactive than the longer n‐alkyl formates, the latter of which have rather similar rate coefficients for dissociation towards n‐alkene and formic acid, with n‐butyl formate exhibiting the largest rate coefficient. The present experimental rate coefficients for n‐alkyl formate decomposition are found to agree well with experimental results from the literature. The decomposition of formic acid formed via dissociation of the longer n‐alkyl formates, the present experimental rate coefficient was initially assumed to deviate from theoretical predictions found in the literature. Yet when adjusting the collisional energy transfer parameters in the kinetics predictions, the present results can be reproduced through previous theoretical work. This indicates that formic acid might be very sensitive to the bath gas, which will be investigated in future work. With the present systematic investigation of C1${\rm C}_1$ to C4${\rm C}_4$n‐alkyl formates, detailed chemical kinetic modeling of n$n$‐alkyl formates will be aided in general. Moreover, the potential to gain insights at the elementary reaction level is revealed in the context of formic acid dissociation. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of International Journal of Chemical Kinetics is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
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    Identifiers:
      – Type: doi
        Value: 10.1002/kin.70035
    Languages:
      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        PageCount: 11
        StartPage: 199
    Subjects:
      – SubjectFull: Pyrolysis kinetics
        Type: general
      – SubjectFull: Rate coefficients (Chemistry)
        Type: general
      – SubjectFull: Light absorption
        Type: general
      – SubjectFull: Chemical reactions
        Type: general
      – SubjectFull: Shock tubes
        Type: general
      – SubjectFull: Fuel additives
        Type: general
      – SubjectFull: Chemical kinetics
        Type: general
      – SubjectFull: Formic acid
        Type: general
    Titles:
      – TitleFull: Laser Absorption Shock Tube Study of C1 to C4n‐Alkyl Formate Pyrolysis.
        Type: main
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      – PersonEntity:
          Name:
            NameFull: Döntgen, Malte
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          Name:
            NameFull: Wildenberg, Alina
      – PersonEntity:
          Name:
            NameFull: Heufer, Karl Alexander
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          Dates:
            – D: 01
              M: 05
              Text: May2026
              Type: published
              Y: 2026
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              Value: 58
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              Value: 5
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            – TitleFull: International Journal of Chemical Kinetics
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