Reduced Gasoline Surrogate (Toluene/n-Heptane/iso-Octane) Chemical Kinetic Model for Compression Ignition Simulations

Sarathy, S. Mani; Atef, Nour; Alfazazi, Adamu; Badra, Jihad; Zhang, Yu; Tzanetakis, Tom; Pei, Yuanjiang

doi:10.4271/2018-01-0191

Cited by 24 publications

(15 citation statements)

References 79 publications

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“…In our previous study [15], a three component TPRF kinetic model with 80 species and 414 reactions (including NOx) is developed and fully validated. Here, the goal is to develop a fourcomponent TPRF-E model with a smaller number of species and reactions for multi-dimensional CFD applications.…”

Section: Model Reduction Approachmentioning

confidence: 99%

“…First, a skeletal ethanol sub-mechanism was added to the recently developed TPRF model in [15], which was generated manually, which includes three more species: C2H5OH, SC2H4OH and CH3CHO, and the relevant high temperature reaction classes (H-atom abstraction and radical beta-scission).…”

Section: Model Reduction Approachmentioning

confidence: 99%

“…As reported in [15], decoupling approach is based on the assumption that heat release, flame speeds, extinction and emissions of unburnt HC, CO & NOx strongly depend on the chemistry of H2/CO/C1 and that of small radicals. These properties could be predicted by inclusion of detailed H2/CO/C1 mechanism and reduced C2-C3 mechanism.…”

Section: Model Reduction Approachmentioning

confidence: 99%

“…Most recently, Sarathy et al [15] presented a skeletal TPRF model with 76 species and 401 reactions, which was developed using the direct relation graph with expert knowledge (DRG-X) [1,2] and isomer lumping method. Building on this model, the present study aims to develop a four-component (toluene/n-heptane/iso-octane/ethanol) -TPRF-Ethanol gasoline surrogate model with even fewer number of species and reactions for use in more computationally demanding multi-dimensional CFD model.…”

Section: Introductionmentioning

confidence: 99%

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Development of a reduced four-component (toluene/n-heptane/iso-octane/ethanol) gasoline surrogate model

Alfazazi

Mohan

et al. 2019

Fuel

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The prospect of blending gasoline fuel with ethanol is being investigated as a potential way to improve the knock residence of the base gasoline. However, one of the drawbacks is a lack of proper understanding of the reason for the non-linear response of blending ethanol and gasoline. This nonlinearity could be better understood by an improved knowledge of the interactions of these fuel components at a molecular level. This study proposed a highly reduced four-component (toluene/nheptane/iso-octane/ethanol) gasoline surrogate model containing 59 species and 270 reactions. The model was reduced using the direct relation graph with expert knowledge (DRG-X) [1, 2] and isomer lumping method. The computational singular perturbation (CSP) analysis were performed to reduce the potential stiffness issues by accordingly adjusting the Arrhenius coefficients of the proper reactions.The model has been comprehensively validated against wide range of ignition delay times (IDT) and flame speed (FS) measurement data as well as compared against two representative literature models from Liu et al. [3] and Wang et al. [4]. Overall, good agreements were observed between model predictions and experimental data across the entire research octane number (RON), equivalence ratio, pressure and temperature range. In addition, the model has also been coupled with the computational fluid dynamic (CFD) models to simulate the experimental data of constant volume reacting spray of a low-octane gasoline (Haltermann straight-run naphtha), and in-cylinder pressures and temperatures of a high-octane gasoline (Haltermann Gasoline) combustion in a heavy duty compression ignition engine.The coupled model can qualitatively predict the experimentally obtained data with an improved performance for PRF, TPRF, and TPRF-ethanol surrogates.

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Section: Model Reduction Approachmentioning

confidence: 99%

Section: Model Reduction Approachmentioning

confidence: 99%

Section: Model Reduction Approachmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Development of a reduced four-component (toluene/n-heptane/iso-octane/ethanol) gasoline surrogate model

Alfazazi

Mohan

et al. 2019

Fuel

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“…Kodavasal et al [42] showed that a finer grid might be needed to reach grid independent solution for reacting cases; however, the current grid was considered sufficient for the objectives of this study which was mainly examining the effect of fuels' properties on the engine performance. The reduced PRF chemical kinetic models developed by KAUST (64 species and 376 reactions) was used in this work [64]. The prediction of NOx emissions was performed using the extended Zedovich thermal NOx model.…”

Section: /19/2016mentioning

confidence: 99%

Standardized Gasoline Compression Ignition Fuels Matrix

Badra¹,

Bakor²,

AlRamadan³

et al. 2018

SAE Technical Paper Series

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Direct injection compression ignition engines running on gasolinelike fuels have been considered an attractive alternative to traditional spark ignition and diesel engines. The compression and lean combustion mode direct injection of fuel eliminates throttle losses yielding higher thermodynamic efficiencies and the better mixing of fuel/air due to the longer ignition delay times of the gasoline-like fuels allows better emission performance such as nitric oxides (NOx) and particulate matter (PM). These gasoline-like fuels which usually have lower octane compared to market gasoline have has been identified as a viable option for the gasoline compression ignition (GCI) engine applications due to its lower reactivity and lighter evaporation longer ignition delay characteristics compared to diesel and lighter evaporation compared to gasoline fuel. The properties, specifications and sources of these GCI fuels are not fully understood yet because this technology is relatively new. In this work, a GCI fuel matrix is being developed based on the significance of certain physical and chemical properties in GCI engine operation. Those properties were chosen to be density, temperature at 90 volume % evaporation (T90) or final boiling point (FBP) and research octane number (RON) and the ranges of these properties were determined from the data reported in literature. These proposed fuels were theoretically formulated, while applying realistic constraints, using species present in real refinery streams gasoline-like fuels. Finally, three-dimensional (3D) engine computational fluid dynamics (CFD) simulations were performed for using the proposed GCI fuels and the similarities and differences were highlighted.

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Evaluation of the turbulent hot jet flame characteristics for achieving high thermal efficiency of hybrid engine

Zhao,

Pei,

et al. 2024

Applied Thermal Engineering

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Reduced Gasoline Surrogate (Toluene/n-Heptane/iso-Octane) Chemical Kinetic Model for Compression Ignition Simulations

Cited by 24 publications

References 79 publications

Development of a reduced four-component (toluene/n-heptane/iso-octane/ethanol) gasoline surrogate model

Development of a reduced four-component (toluene/n-heptane/iso-octane/ethanol) gasoline surrogate model

Standardized Gasoline Compression Ignition Fuels Matrix

Evaluation of the turbulent hot jet flame characteristics for achieving high thermal efficiency of hybrid engine

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