This work (and the companion paper,
Part II) presents new experimental
data for the combustion of
n
-C
3
–C
6
alcohols (
n
-propanol,
n
-butanol,
n
-pentanol,
n
-hexanol)
and a lumped kinetic model to describe their pyrolysis and oxidation.
The kinetic subsets for alcohol pyrolysis and oxidation from the CRECK
kinetic model have been systematically updated to describe the pyrolysis
and high- and low-temperature oxidation of this series of fuels. Using
the reaction class approach, the reference kinetic parameters have
been determined based on experimental, theoretical, and kinetic modeling
studies previously reported in the literature, providing a consistent
set of rate rules that allow easy extension and good predictive capability.
The modeling approach is based on the assumption of an alkane-like
and alcohol-specific moiety for the alcohol fuel molecules. A thorough
review and discussion of the information available in the literature
supports the selection of the kinetic parameters that are then applied
to the
n
-C
3
–C
6
alcohol
series and extended for further proof to describe
n
-octanol oxidation. Because of space limitations, the large amount
of information, and the comprehensive character of this study, the
manuscript has been divided into two parts. Part I describes the kinetic
model as well as the lumping techniques and provides a synoptic synthesis
of its wide range validation made possible also by newly obtained
experimental data. These include speciation measurements performed
in a jet-stirred reactor (
p
= 10
7
kPa,
T
= 550–1100 K, φ = 0.5, 1.0, 2.0) for
n
-butanol,
n
-pentanol, and
n
-hexanol and ignition delay times of ethanol,
n
-propanol,
n
-butanol,
n
-pentanol/air mixtures measured
in a rapid compression machine at φ = 1.0,
p
= 10 and 30 bar, and
T
= 704–935 K. These
data are presented and discussed in detail in Part II, together with
detailed comparisons with model predictions and a deep kinetic discussion.
This work provides new experimental targets that are useful for kinetic
model development and validation (Part II), as well as an extensively
validated kinetic model (Part I), which also contains subsets of other
reference components for real fuels, thus allowing the assessment
of combustion properties of new sustainable fuels and fuel mixtures.
