Header menu link for other important links
X
Thermal Decomposition of 2-Pentanol: A Shock Tube Study and RRKM Calculations
Published in American Chemical Society
2016
Volume: 120
   
Issue: 41
Pages: 8024 - 8036
Abstract
A single pulse shock tube was used to study the thermal decomposition of 2-pentanol in the temperatures between 1110 and 1325 K. Three major decomposition products are methane, ethylene, and propylene. The minor products detected in lower concentration are ethane, acetylene, acetaldehyde, 1-pentene, and 2-pentene. The rate coefficient for the overall decomposition of 2-pentanol was found to be ktotalexp(1110-1325 K) = (4.01 ± 0.51) × 109 exp(-(36.2 ± 4.7)/RT) s-1, where the activation energies are given in kcal mol-1. To simulate reactant and product distribution over the experimentally studied temperatures between 1110 and 1325 K, a reaction scheme was constructed with 34 species and 39 reactions. In addition to this, the temperature and pressure dependent rate coefficients were computed for various unimolecular dissociation pathways using RRKM theory. The high pressure limit rate coefficient for overall decomposition of 2-pentanol was obtained to be ktotaltheory(500-2500 K) = (9.67 ± 1.11) × 1014 exp(-(67.7 ± 2.9)/RT) s-1. The calculated high pressure rate coefficients and experimentally measured rate constants are in good agreement with each other. The reaction is primarily governed by the unimolecular elimination of water. © 2016 American Chemical Society.
About the journal
JournalData powered by TypesetJournal of Physical Chemistry A
PublisherData powered by TypesetAmerican Chemical Society
ISSN10895639
Open AccessNo
Concepts (16)
  •  related image
    Acetaldehyde
  •  related image
    Activation energy
  •  related image
    Decomposition
  •  related image
    Dissociation
  •  related image
    Ethylene
  •  related image
    Shock tubes
  •  related image
    Thermolysis
  •  related image
    Decomposition products
  •  related image
    HIGH-PRESSURE LIMITS
  •  related image
    Product distributions
  •  related image
    RRKM CALCULATIONS
  •  related image
    SINGLE-PULSE SHOCK TUBES
  •  related image
    Temperature and pressures
  •  related image
    UNIMOLECULAR DISSOCIATION
  •  related image
    UNIMOLECULAR ELIMINATION
  •  related image
    Rate constants