Development of a skeletal oxidation mechanism for biodiesel surrogate

Chang, Yachao; Jia, Ming; Li, Yaopeng; Zhang, Yanzhi; Xie, Maozhao; Wang, Hu; Reitz, Rolf D.

doi:10.1016/j.proci.2014.09.009

Cited by 74 publications

(61 citation statements)

References 35 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…The decoupling methodology considers the combustion process of a fuel as two parts: one part is ignition, which is largely dependent on the specific fuel, and the other part is flame propagating after ignition, which is mainly controlled by reactions involving small radicals and molecules of CO-C 1 and is less dependent on the specific fuel. In Chang et al's work (Chang et al, 2015) the decoupling methodology was used to develop a skeletal chemical kinetic mechanism for biodiesel with 60 species and 172 reactions, showing a promising performance for engine applications incorporated with a multidimensional CFD modeling. In the mechanism of Chang et al (2015), the "core" part CO-C 1 sub-mechanism is mainly from Klippenstein et al (2011) for the ignition of methanol at high pressures by using the ab initio transition state theory, and the transition part C 2 -C 3 sub-mechanism including six species (C 2 H 3 , C 2 H 4 , C 3 H 4 , C 3 H 5 , C 3 H 6 , and C 3 H 7 ) is from Patel et al (2004) because of its small size.…”

Section: Decoupling Methodology For Mechanism Reductionmentioning

confidence: 99%

“…In Chang et al's work (Chang et al, 2015) the decoupling methodology was used to develop a skeletal chemical kinetic mechanism for biodiesel with 60 species and 172 reactions, showing a promising performance for engine applications incorporated with a multidimensional CFD modeling. In the mechanism of Chang et al (2015), the "core" part CO-C 1 sub-mechanism is mainly from Klippenstein et al (2011) for the ignition of methanol at high pressures by using the ab initio transition state theory, and the transition part C 2 -C 3 sub-mechanism including six species (C 2 H 3 , C 2 H 4 , C 3 H 4 , C 3 H 5 , C 3 H 6 , and C 3 H 7 ) is from Patel et al (2004) because of its small size. The range of the "core" part CO-C 1 sub-mechanism used in Chang et al (2015) is mainly for high pressures, and the C 2 -C 3 sub-mechanism used by them may not be enough for a higher accuracy of laminar flame speed prediction over more operating conditions.…”

Section: Decoupling Methodology For Mechanism Reductionmentioning

confidence: 99%

“…It was reported in the literature that MD9D was not suitable for biodiesel surrogate due to its similar reaction activity with MD. Chang et al (Chang et al, 2015) proposed a biodiesel surrogate model with the components of n-decane, MD, and MD5D (methyl-5-decenoate), since MD and MD5D were chosen to respectively represent the saturated methyl ester and unsaturated methyl ester, and n-decane was chosen to match the energy content and the C/H/O ratio of actual biodiesel fuel. Liu et al (2016) developed a skeletal four-component biodiesel combustion mechanism (106 species and 263 reactions) comprising methyl decenoate, methyl-5decenoate, n-decane and methyl linoleate using directed relation graph error propagation and sensitivity analysis (DRGEPSA).…”

Section: Introductionmentioning

confidence: 99%

“…However, a mechanism including a C4 detailed mechanism will have a larger model size which is not practical to be used in engine CFD. In this work, the biodiesel skeletal mechanism of Chang et al (2015) is selected as the baseline mechanism. However, a new "core" FIGURE 1 | Five common components of biodiesel: (A) methyl palmitate, (B) methyl stearate, (C) methyl oleate, (D) methyl linoleate, and (E) methyl linolenate (Brakora et al, 2011). H 2 /O 2 /CO/C 1 ∼C 3 detailed mechanism is used to replace the old "core" model.…”

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

A Bio-Diesel Chemical Kinetic Mechanism Based on Decoupling Methodology and Detailed H2/O2/CO/C1~C3 Mechanism

Yang

2019

Front. Mech. Eng.

Self Cite

View full text Add to dashboard Cite

Biodiesel is a renewable, clean-burning diesel replacement, and may have superior brake thermal efficiency with certain blends compared to traditional diesel counterpart at higher compression ratios. The combustion chemistry process of biodiesel, which has not been well understood, is of great interests to some engine researchers. Researchers have developed some complicated chemical kinetic mechanisms for bio-diesel, which cannot be used in engine CFD (computational fluid dynamics) with current computational resources. The present work aims to construct a new chemical kinetic mechanism with a medium size for biodiesel combustion. Since 2016, H 2 /O 2 /CO/C 1 and C 2 -C 3 detailed sub-mechanisms (the C3 model contained in AramcoMech2.0) have been developed for accurately predicting laminar flame speeds, ignition delay times, and important species evolutions, and have been validated against a large array of experimental measurements over a wide range of conditions. In this paper, a 3-component biodiesel surrogate chemical kinetic mechanism constructed in 2015 based on decoupling methodology has been combined with the new "core" H 2 /O 2 /CO/C 1 ∼C 3 detailed mechanism to generate a new bio-diesel chemical kinetic mechanism. In the surrogate mechanism construction, three skeletal sub-mechanisms are used for the three biodiesel components (MD (methyl decanoate), MD5D (methyl-5-decenoate), and n-decane). The final mechanism, which has 183 species and 1002 reactions, has been validated with available experiment data. It will be validated extensively with more experimental biodiesel data and applied to engine CFD for understanding biodiesel combustion.

show abstract

Section: Decoupling Methodology For Mechanism Reductionmentioning

confidence: 99%

Section: Decoupling Methodology For Mechanism Reductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

A Bio-Diesel Chemical Kinetic Mechanism Based on Decoupling Methodology and Detailed H2/O2/CO/C1~C3 Mechanism

Yang

2019

Front. Mech. Eng.

Self Cite

View full text Add to dashboard Cite

show abstract

“…Reduced mechanisms are available for most of the conventional biofuels including biodiesel [186,187] and ethanol. [188] However, only af ew exemplary reduced schemes have been developed for advanced biofuels.…”

Section: Mechanism Reduction Strategiesmentioning

confidence: 99%

Advanced Biofuels and Beyond: Chemistry Solutions for Propulsion and Production

et al. 2017

View full text Add to dashboard Cite

Sustainably produced biofuels, especially when they are derived from lignocellulosic biomass, are being discussed intensively for future ground transportation. Traditionally, research activities focus on the synthesis process, while leaving their combustion properties to be evaluated by a different community. This Review adopts an integrative view of engine combustion and fuel synthesis, focusing on chemical aspects as the common denominator. It will be demonstrated that a fundamental understanding of the combustion process can be instrumental to derive design criteria for the molecular structure of fuel candidates, which can then be targets for the analysis of synthetic pathways and the development of catalytic production routes. With such an integrative approach to fuel design, it will be possible to improve systematically the entire system, spanning biomass feedstock, conversion process, fuel, engine, and pollutants with a view to improve the carbon footprint, increase efficiency, and reduce emissions.

show abstract

Synthese, motorische Verbrennung, Emissionen: Chemische Aspekte des Kraftstoffdesigns

et al. 2017

View full text Add to dashboard Cite

Nachhaltig produzierte Biokraftstoffe, die auf Basis von Lignozellulose zugänglich sind, werden in Energieszenarien für Mobilität und Transport der Zukunft intensiv diskutiert. Traditionell konzentrieren sich die Forschungsaktivitäten in den Naturwissenschaften dabei auf den Syntheseprozess, während die anschließende Bewertung der Verbrennungseigenschaften anderen Forschungsgebieten überlassen wird. Dieser Aufsatz verfolgt mit der gemeinsamen Betrachtung der motorischen Verbrennung und der Kraftstoffsynthese einen integrativen Ansatz, bei dem die chemischen Aspekte im Vordergrund stehen. Dabei wird deutlich, dass das fundamentale Verständnis des Verbrennungsvorgangs maßgeblich dazu beitragen kann, Designkriterien für die Molekülstruktur möglicher Kraftstoffkandidaten abzuleiten, um so Ziele für die Analyse von Synthesewegen und die Entwicklung katalytischer Produktionswege zu definieren. Dieser integrative Ansatz des “Kraftstoffdesigns” umfasst die gesamte Kette der Energiekonversion ausgehend vom Rohstoff über Herstellungsprozess, Kraftstoff und Motor bis hin zur Schadstoffemission. Dies ermöglicht eine systematische Optimierung des Gesamtsystems mit dem Ziel, die Kohlenstoffbilanz zu verbessern, die Effizienz zu erhöhen und die Emissionen zu verringern.

show abstract

Development of a skeletal oxidation mechanism for biodiesel surrogate

Cited by 74 publications

References 35 publications

A Bio-Diesel Chemical Kinetic Mechanism Based on Decoupling Methodology and Detailed H2/O2/CO/C1~C3 Mechanism

A Bio-Diesel Chemical Kinetic Mechanism Based on Decoupling Methodology and Detailed H2/O2/CO/C1~C3 Mechanism

Advanced Biofuels and Beyond: Chemistry Solutions for Propulsion and Production

Synthese, motorische Verbrennung, Emissionen: Chemische Aspekte des Kraftstoffdesigns

Contact Info

Product

Resources

About