ef8b02219_si_001.zip (150.53 kB)
Chemical Kinetic Mechanism for Pyrolysis Bio-oil Surrogate
dataset
posted on 2018-08-28, 00:00 authored by Dario Alviso, Shirley Duarte, Nelson Alvarenga, Juan Carlos Rolón, Nasser DarabihaBio-oil is a complex
real fuel, considered as a carbon-neutral alternative to hydrocarbons
in the transport sector, which is composed of hundreds of compounds,
mostly oxygenated. Pyrolysis oil has high acidity, low thermal stability,
low calorific value, high water content, high viscosity, and poor
lubrication characteristics. Therefore, its use in transportation
is limited. These characteristics make it totally different from petroleum
fuels affecting the combustion process. Blends of bio-oil/diesel/alcohols
are viable short-term alternatives to utilize an important fraction
of these oils. In the present work, pyrolysis was performed on torrefied
coconut endocarp and the collected bio-oil was analyzed using gas
chromatography/mass spectrometry (GC/MS). Based on the GC/MS analysis,
three different blends of toluene, ethanol, and acetic acid representative
of the real fuel chemistry were proposed as the surrogates to carry
out combustion studies. The objective of this paper is to develop
a chemical kinetics mechanism for toluene/ethanol/acetic acid blend
oxidation. This will be done by combining the chemical model of Huang
et al. [Energy Convers.
Manage. 2017, 149, 553] for toluene and that of Christensen and Konnov [Combust. Flame 2016, 170, 12] for ethanol/acetic
acid reactions. The resulting chemical model consisting of 180 species
and 1495 reactions will be validated by performing combustion zero-
and one-dimensional simulations for toluene/ethanol/acetic acid blends
by studying constant-volume autoignition and laminar flame speed.
Then, as Huang et al.’s original model was developed and validated
for diesel/n-butanol blends, autoignition delays
and laminar flame speed simulations of bio-oil/diesel/n-butanol are presented.