Combustion Characteristics of C₅ Alcohols and a Skeletal Mechanism for Homogeneous Charge Compression Ignition Combustion Simulation

Abstract

KEYWORDS2-methylbutanol, iso-pentanol, ignition delay, intermediate temperature heat release, skeletal mechanism, HCCI engine combustion 2 ABSTRACT C 5 alcohols are considered alternative fuels because they emit less greenhouse gases and fewer harmful pollutants. In this study, the combustion characteristics of 2-methylbutanol (2-methyl-1-butanol) and iso-pentanol (3-methyl-1-butanol) and their mixtures with primary reference fuels (PRFs) were studied using a detailed chemical kinetic model obtained from merging previously published mechanisms. Ignition delay times of the C 5 alcohol/air mixtures were compared with PRFs at 20 and 40 atm. Reaction path analyses were conducted at intermediate and high temperatures to identify the most influential reactions controlling ignition of C 5 alcohols. The direct relation graph with expert knowledge methodology was used to eliminate unimportant species and reactions in the detailed mechanism, and the resulting skeletal mechanism was tested at various homogeneous charge compression ignition (HCCI) engine combustion conditions. These simulations were used to investigate the heat release characteristics of the methylsubstituted C 5 alcohols, and the results show relatively strong reactions at intermediate temperatures prior to hot ignition. C 5 alcohol blending in PRF75 in HCCI combustion leads to a significant decrease of low temperature heat release (LTHR) and a delay the main combustion.The heat release features demonstrated by C 5 alcohols can be used to improve the design and operation of advanced engine technologies.3

Influence of Ethanol and Exhaust Gas Recirculation on Laminar Burning Behaviors of Fuels for Advanced Combustion Engines (FACE-C) Gasoline and Its Surrogate

“…Alcohol additives can be one of the proposed solutions to counteract the disadvantages imposed by the presence EGR during the combustion process. Ethanol is an alternative and complementary biofuel to gasoline that can significantly affects its burning characteristics [32,33]. The importance of ethanol arises from the global warming issue together with energy security.…”

Critical Roles of the Pentose Phosphate Pathway and GLN3 in Isobutanol-Specific Tolerance in Yeast

“…Isobutanol and other branched-chain alcohols, such as isopentanol and 2-methyl-1-butanol, are promising advanced biofuels that could be used as gasoline substitutes, or upgraded to jet fuel (Brooks et al, 2016;D€ urre, 2007;Park et al, 2015). These molecules have superior fuel properties to ethanol, including higher energy density, lower hygroscopicity, and lower volatility that result in increased compatibility with current fuel infrastructure.…”

Utilization of Pentanol as Biofuels in Compression Ignition Engines

“…The several different detailed chemical kinetic mechanisms for 1-pentanol were developed by Togbe et al (2011), Heufer et al , Rajesh Kumar and Saravanan (2015), Park et al (2015a), Li et al (2015a,b), Nour et al (2019), Yang et al (2010), .…”

“…(2012, 2013), Kohler et al (2015), Wang et al (2015), Nativel et al (2016), and Pelucchi et al (2017). For isopentanol, Dayma et al (2011), Tsujimura et al (2011), Sarathy et al (2012Sarathy et al ( , 2013, Lucassen et al (2013), Park et al (2015a), and Nativel et al (2016) had suggested the detailed chemical kinetic mechanisms. Further, the detailed mechanism for 2-methyl-1-butanol was proposed by Tang et al (2013), Serinyel et al (2014), Park et al (2015a,b), and Lucassen et al (2015).…”

“…In addition to the detailed chemical kinetic mechanisms discussed in the above section, seven reduced chemical kinetic mechanisms were developed for pentanol isomers and blends as shown in Table 2. Two models for n-pentanol were recently proposed by Chang et al (2018) and Katoch et al (2019), and two mechanisms for isopentanol were proposed by Sarathy et al (2013) and Park et al (2015a). One combined reduced chemical kinetic mechanism was suggested by Liu et al (2016) for the oxidation of primary reference fuel/C 1 -C 5 alcohol mixtures.…”