A lumped kinetic model of methyl butanoate pyrolysis and oxidation is presented and discussed in this work. The hierarchical approach first required the development and validation of sub-mechanisms of small esters such as methyl formate, methyl acrylate and methyl crotonate. A broad-ranging validation of the whole kinetic scheme of methyl butanoate oxidation was then carried out through comparisons with experimental data obtained in shock tube devices, plug flow and jet stirred reactors, rapid compression machines and premixed laminar flames. A detailed analysis of laminar flame speeds complements and extends this kinetic study. The lumped model predicts a wide range of experiments well, thus constituting a flexible and reliable kinetic scheme despite the reduced number of species involved. Moreover, this lumped approach and the proposed model lay the foundation for an extension to biodiesel fuel modeling. © 2012 Elsevier Ltd.

A wide range kinetic modeling study of pyrolysis and oxidation of methyl butanoate and methyl decanoate. Note I: Lumped kinetic model of methyl butanoate and small methyl esters

GRANA, ROBERTO;FRASSOLDATI, ALESSIO;CUOCI, ALBERTO;FARAVELLI, TIZIANO;RANZI, ELISEO MARIA
2012-01-01

Abstract

A lumped kinetic model of methyl butanoate pyrolysis and oxidation is presented and discussed in this work. The hierarchical approach first required the development and validation of sub-mechanisms of small esters such as methyl formate, methyl acrylate and methyl crotonate. A broad-ranging validation of the whole kinetic scheme of methyl butanoate oxidation was then carried out through comparisons with experimental data obtained in shock tube devices, plug flow and jet stirred reactors, rapid compression machines and premixed laminar flames. A detailed analysis of laminar flame speeds complements and extends this kinetic study. The lumped model predicts a wide range of experiments well, thus constituting a flexible and reliable kinetic scheme despite the reduced number of species involved. Moreover, this lumped approach and the proposed model lay the foundation for an extension to biodiesel fuel modeling. © 2012 Elsevier Ltd.
2012
File in questo prodotto:
File Dimensione Formato  
Grana_et_al_Energy2012.pdf

Accesso riservato

: Post-Print (DRAFT o Author’s Accepted Manuscript-AAM)
Dimensione 1.8 MB
Formato Adobe PDF
1.8 MB Adobe PDF   Visualizza/Apri

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11311/657084
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 47
  • ???jsp.display-item.citation.isi??? 41
social impact