Impact of fuel molecular structure on auto-ignition behavior – Design rules for future high performance gasolines

Handle URI:
http://hdl.handle.net/10754/622681
Title:
Impact of fuel molecular structure on auto-ignition behavior – Design rules for future high performance gasolines
Authors:
Boot, Michael D.; Tian, Miao; Hensen, Emiel J M; Sarathy, Mani ( 0000-0002-3975-6206 )
Abstract:
At a first glance, ethanol, toluene and methyl tert-butyl ether look nothing alike with respect to their molecular structures. Nevertheless, all share a similarly high octane number. A comprehensive review of the inner workings of such octane boosters has been long overdue, particularly at a time when feedstocks for transport fuels other than crude oil, such as natural gas and biomass, are enjoying a rapidly growing market share. As high octane fuels sell at a considerable premium over gasoline, diesel and jet fuel, new entrants into the refining business should take note and gear their processes towards knock resistant compounds if they are to maximize their respective bottom lines. Starting from crude oil, the route towards this goal is well established. Starting from biomass or natural gas, however, it is less clear what dots on the horizon to aim for. The goal of this paper is to offer insight into the chemistry behind octane boosters and to subsequently distill from this knowledge, taking into account recent advances in engine technology, multiple generic design rules that guarantee good anti-knock performance. Careful analysis of the literature suggests that highly unsaturated (cyclic) compounds are the preferred octane boosters for modern spark-ignition engines. Additional side chains of any variety will dilute this strong performance. Multi-branched paraffins come in distant second place, owing to their negligible sensitivity. Depending on the type and location of functional oxygen groups, oxygenates can have a beneficial, neutral or detrimental impact on anti-knock quality.
KAUST Department:
Clean Combustion Research Center
Citation:
Boot MD, Tian M, Hensen EJM, Mani Sarathy S (2017) Impact of fuel molecular structure on auto-ignition behavior – Design rules for future high performance gasolines. Progress in Energy and Combustion Science 60: 1–25. Available: http://dx.doi.org/10.1016/j.pecs.2016.12.001.
Publisher:
Elsevier BV
Journal:
Progress in Energy and Combustion Science
Issue Date:
29-Dec-2016
DOI:
10.1016/j.pecs.2016.12.001
Type:
Article
ISSN:
0360-1285
Sponsors:
Open Access funded by VSNU
Additional Links:
http://www.sciencedirect.com/science/article/pii/S0360128516300570
Appears in Collections:
Articles; Clean Combustion Research Center

Full metadata record

DC FieldValue Language
dc.contributor.authorBoot, Michael D.en
dc.contributor.authorTian, Miaoen
dc.contributor.authorHensen, Emiel J Men
dc.contributor.authorSarathy, Manien
dc.date.accessioned2017-01-11T12:20:30Z-
dc.date.available2017-01-11T12:20:30Z-
dc.date.issued2016-12-29en
dc.identifier.citationBoot MD, Tian M, Hensen EJM, Mani Sarathy S (2017) Impact of fuel molecular structure on auto-ignition behavior – Design rules for future high performance gasolines. Progress in Energy and Combustion Science 60: 1–25. Available: http://dx.doi.org/10.1016/j.pecs.2016.12.001.en
dc.identifier.issn0360-1285en
dc.identifier.doi10.1016/j.pecs.2016.12.001en
dc.identifier.urihttp://hdl.handle.net/10754/622681-
dc.description.abstractAt a first glance, ethanol, toluene and methyl tert-butyl ether look nothing alike with respect to their molecular structures. Nevertheless, all share a similarly high octane number. A comprehensive review of the inner workings of such octane boosters has been long overdue, particularly at a time when feedstocks for transport fuels other than crude oil, such as natural gas and biomass, are enjoying a rapidly growing market share. As high octane fuels sell at a considerable premium over gasoline, diesel and jet fuel, new entrants into the refining business should take note and gear their processes towards knock resistant compounds if they are to maximize their respective bottom lines. Starting from crude oil, the route towards this goal is well established. Starting from biomass or natural gas, however, it is less clear what dots on the horizon to aim for. The goal of this paper is to offer insight into the chemistry behind octane boosters and to subsequently distill from this knowledge, taking into account recent advances in engine technology, multiple generic design rules that guarantee good anti-knock performance. Careful analysis of the literature suggests that highly unsaturated (cyclic) compounds are the preferred octane boosters for modern spark-ignition engines. Additional side chains of any variety will dilute this strong performance. Multi-branched paraffins come in distant second place, owing to their negligible sensitivity. Depending on the type and location of functional oxygen groups, oxygenates can have a beneficial, neutral or detrimental impact on anti-knock quality.en
dc.description.sponsorshipOpen Access funded by VSNUen
dc.publisherElsevier BVen
dc.relation.urlhttp://www.sciencedirect.com/science/article/pii/S0360128516300570en
dc.rightsArchived with thanks to Progress in Energy and Combustion Science. This version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by/4.0/en
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/en
dc.subjectAuto-ignitionen
dc.subjectDownsizingen
dc.subjectGasolineen
dc.subjectKnocken
dc.subjectOctaneen
dc.titleImpact of fuel molecular structure on auto-ignition behavior – Design rules for future high performance gasolinesen
dc.typeArticleen
dc.contributor.departmentClean Combustion Research Centeren
dc.identifier.journalProgress in Energy and Combustion Scienceen
dc.eprint.versionPublisher's Version/PDFen
dc.contributor.institutionMultiphase and Reactive Flows Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven, Netherlandsen
dc.contributor.institutionSchuit Institute of Catalysis Inorganic Materials Chemistry, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven, Netherlandsen
kaust.authorSarathy, Manien
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