Development of a skeletal mechanism for diesel surrogate fuel by using a decoupling methodology

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

doi:10.1016/j.combustflame.2015.07.016

Cited by 164 publications

(97 citation statements)

References 104 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…For example, the paraffinic CH3 group possesses three hydrogen atoms for every carbon atom. The quantity of the paraffinic CH3 group in terms of weight % is then evaluated by multiplying the mole % of the H atoms that appear in paraffinic CH3 groups (namely I and E, see Table 1) with the molecular weight (i.e., 15), and then dividing by the number of hydrogen atoms (i.e. 3) appearing in the group.…”

Section: Functional Group Determinationmentioning

confidence: 99%

“…In addition to conventional surrogate fuel formulation and kinetic model reduction methods [8,15,109] the MFG approach presents another way of constraining the size of surrogate fuel mixture formulations and resulting chemical kinetic models. This may simplify the surrogate formulation and testing procedure, while reducing incurred time and cost.…”

Section: Smoke Point and Threshold Sooting Indexmentioning

confidence: 99%

“…There has been significant research carried out to develop suitable surrogates for gasoline [3][4][5][6][7][8][9][10][11][12], diesel [13][14][15][16][17], jet fuel [18][19][20][21][22][23], biodiesel [24][25][26][27][28], and even heavy fuel oils [29]. One of the common approaches in formulating surrogates for gasolines is to match the chemical reactivity of the target fuel at certain standard conditions with primary reference fuels (PRFs), i.e., mixtures of iso-octane (2,2,4-trimethylpentane) and n-heptane [30].…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

A minimalist functional group (MFG) approach for surrogate fuel formulation

Jameel

Issayev

Touitou

et al. 2018

Combustion and Flame

View full text Add to dashboard Cite

et al. (2018) A minimalist functional group (MFG) approach for surrogate fuel formulation. Combustion and Flame 192: 250-271. Available: http://dx. AbstractSurrogate fuel formulation has drawn significant interest due to its relevance towards understanding combustion properties of complex fuel mixtures. In this work, we present a novel approach for surrogate fuel formulation by matching target fuel functional groups, while minimizing the number of surrogate species. Five key functional groups; paraffinic CH3, paraffinic CH2, paraffinic CH, naphthenic CH-CH2 and aromatic C-CH groups in addition to structural information provided by the Branching Index (BI) were chosen as matching targets. Surrogates were developed for six FACE (Fuels for Advanced Combustion Engines) gasoline target fuels, namely FACE A, C, F, G, I and J. The five functional groups present in the fuels were qualitatively and quantitatively identified using high resolution 1 H Nuclear Magnetic Resonance (NMR) spectroscopy. A further constraint was imposed in limiting the number of surrogate components to a maximum of two. This simplifies the process of surrogate formulation, facilitates surrogate testing, and significantly reduces the size and time involved in developing chemical kinetic models by reducing the number of thermochemical and kinetic parameters requiring estimation.Fewer species also reduces the computational expenses involved in simulating combustion in practical devices. The proposed surrogate formulation methodology is denoted as the Minimalist Functional Group (MFG) approach. The MFG surrogates were experimentally tested against their target fuels using Ignition Delay Times (IDT) measured in an Ignition Quality Tester (IQT), as specified by the standard ASTM D6890 methodology, and in a Rapid Compression Machine [Type text] 2 (RCM). Threshold Sooting Index (TSI) and Smoke Point (SP) measurements were also performed to determine the sooting propensities of the surrogates and target fuels. The results showed that MFG surrogates were able to reproduce the aforementioned combustion properties of the target FACE gasolines across a wide range of conditions. The present MFG approach supports existing literature demonstrating that key functional groups are responsible for the occurrence of complex combustion properties. The functional group approach offers a method of understanding the combustion properties of complex mixtures in a manner which is independent, yet complementary, to detailed chemical kinetic models. The MFG approach may be readily extended to formulate surrogates for other complex fuels.

show abstract

Section: Functional Group Determinationmentioning

confidence: 99%

Section: Smoke Point and Threshold Sooting Indexmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

A minimalist functional group (MFG) approach for surrogate fuel formulation

Jameel

Issayev

Touitou

et al. 2018

Combustion and Flame

View full text Add to dashboard Cite

show abstract

“…Therefore, some researchers have proposed the decoupling method to construct a skeletal mechanism [19]. In this method, the mechanism is divided into three parts: the skeletal sub-mechanism is used to predict species histories and ignition characteristics; the detailed C 1 /CO/H 2 sub-mechanism is used to predict the heat release rate, flame propagation and the concentration of corresponding components in the fuel; as a transition mechanism, a reduced C 2 -C 3 sub-mechanism is used to combine the other two sub-mechanisms [19] because it has an assignable influence on species concentration, as found in some recent research [20]. The skeletal model based on this method can predict the oxidation behavior accurately, while the skeletal mechanism can control it on a small scale [13,19].…”

Section: Decoupling Methodsmentioning

confidence: 99%

Establishment and Validation of a Two-Component Surrogate Fuel Chemical Kinetic Skeletal Model for Fischer–Tropsch Fuel Synthesized from Coal

et al. 2020

View full text Add to dashboard Cite

Fischer–Tropsch (F–T) fuel, synthesized from coal-to-liquid (CTL), is an alternative fuel with clean and efficient characteristics. In this study, a surrogate fuel model was developed, including n-dodecane (n-C12H26) and iso-octane (i-C8H18), which represents the n-alkane and iso-alkane in F–T fuel synthesized from CTL, respectively. The proportions of the components in the surrogate fuel are determined by the characteristics of the practical fuel, including cetane number (CN), C/H ration and component composition. For the establishment of the skeletal mechanism model, firstly, based on a two-step direct relationship graph (DRG) and the computational singular perturbation (CSP) importance index method, a reduced model of n-dodecane was developed involving 159 species and 399 reactions, while the detailed n-dodecane mechanism consists of 1279 species and 5056 reactions. Then, the n-dodecane skeletal mechanism was constructed based on a decoupling methodology, involving the skeletal C12 mechanism from the reduced mechanism, a C2-C3 sub mechanism and a detailed H2/CO/C1 sub mechanism. Finally, the skeletal mechanism for the F–T surrogate fuel was developed, including the n-dodecane skeletal mechanism and an iso-octane macromolecular skeletal mechanism. The final mechanism for the F–T diesel surrogate fuel consists of 169 species and 406 reactions. The n-dodecane skeletal mechanism and iso-octane skeletal mechanism were validated on various fundamental experiments, including the ignition delay in shock tubes, the primary species concentrations in jet-stirred reactors and the premixed laminar flame over wide operating conditions, which show great agreement between the predictions and measurements. Moreover, an F–T surrogate fuel mechanism was employed to simulate the combustion characteristics of an engine using computational fluid dynamics (CFD). The results show that the mechanism can predict the performance of F–T fuel combustion in engine accurately.

show abstract

“…The C0-C2 section involving 32 species and 131 reactions is developed based on the study from Chang et al [22] . In order to investigate the HCCI heat release process, Chang et al described the oxidation chemistry of small species with sufficient details.…”

Section: Base Gasoline Fuel Oxidation Mechanismmentioning

confidence: 99%

A skeletal gasoline flame ionization mechanism for combustion timing prediction on HCCI engines

Dong

Chen

et al. 2017

Proceedings of the Combustion Institute

View full text Add to dashboard Cite

Ion current sensing technology has the potential to be a low cost and real time combustion phasing solution for HCCI or HCCI-like engine control. Based on a primary reference fuel oxidation mechanism and a C1-C4 hydrocarbon flame ionization mechanism, a skeletal mechanism for gasoline flame ionization process prediction on HCCI engines was developed in this paper. Since the ion concentrations significantly affect the aroused ion current signals, the mechanism is targeted on accurately predicting both the ion production concentrations and other key combustion characteristics. Through the comparison with the results from the detailed gasoline flame ionization mechanism and experimental results, the predicted maximum hydronium (H 3 O + ) ion concentration and the concentration variation tendency are validated. Additionally, the auto-ignition delay time ( t ign ) accurately predicted under HCCI engine conditions. Through coupling with a 3D-CFD engine model, the skeletal mechanism was applied to predict the important information of incylinder ion species, which are validated by the experimental ion current amplitudes and phases. The results show that the ion current phase (Ion50) matches well with the positions where the predicted ion concentration reaches its maximum, and the ion current amplitudes are well predicted under the conditions of different equivalence ratios ( ) and fuel injection ratios ( Inj ratio ).

show abstract

Development of a skeletal mechanism for diesel surrogate fuel by using a decoupling methodology

Cited by 164 publications

References 104 publications

A minimalist functional group (MFG) approach for surrogate fuel formulation

A minimalist functional group (MFG) approach for surrogate fuel formulation

Establishment and Validation of a Two-Component Surrogate Fuel Chemical Kinetic Skeletal Model for Fischer–Tropsch Fuel Synthesized from Coal

A skeletal gasoline flame ionization mechanism for combustion timing prediction on HCCI engines

Contact Info

Product

Resources

About