Investigation of Biodiesel Combustion and Emissions Using Reduced Chemical Kinetics

2018 ◽  
Vol 140 (6) ◽  
Author(s):  
Aron P. Dobos ◽  
Allan T. Kirkpatrick
Keyword(s):  
Chemical Kinetic ◽  
Operational Parameters ◽  
Computationally Efficient ◽  
Compression Ignition Engine ◽  
Spray Structure ◽  
Kinetic Mechanisms ◽  
Lift Off ◽  
Dimensional Simulation ◽  
Complex Relationships ◽  
Biodiesel Fuels

This paper studies the differences in spray structure and emissions trends between diesel and biodiesel fuels in a compression ignition engine. A computationally efficient and predictive quasi-dimensional simulation model is combined with fuel-specific physical properties and chemical kinetic mechanisms to predict spray mixing, combustion, and emissions behavior. The results underscore the complex relationships between NOx emissions, operational parameters, and fuel chemistry and provide further evidence of a link between stoichiometry near the flame lift-off length and formation of NOx.

Simulating Flame Lift-Off Characteristics of Diesel and Biodiesel Fuels Using Detailed Chemical-Kinetic Mechanisms and Large Eddy Simulation Turbulence Model

2012 ◽  
Vol 134 (3) ◽  
Author(s):  
Sibendu Som ◽  
Douglas E. Longman ◽  
Zhaoyu Luo ◽  
Max Plomer ◽  
Tianfeng Lu ◽  
...  
Keyword(s):  
Large Eddy Simulation ◽  
Turbulence Model ◽  
Turbulence Models ◽  
Chemical Kinetic ◽  
Spray Combustion ◽  
Eddy Simulation ◽  
Large Eddy ◽  
Kinetic Mechanisms ◽  
Lift Off ◽  
Biodiesel Fuels

Combustion in direct-injection diesel engines occurs in a lifted, turbulent diffusion flame mode. Numerous studies indicate that the combustion and emissions in such engines are strongly influenced by the lifted flame characteristics, which are in turn determined by fuel and air mixing in the upstream region of the lifted flame, and consequently by the liquid breakup and spray development processes. From a numerical standpoint, these spray combustion processes depend heavily on the choice of underlying spray, combustion, and turbulence models. The present numerical study investigates the influence of different chemical kinetic mechanisms for diesel and biodiesel fuels, as well as Reynolds-averaged Navier–Stokes (RANS) and large eddy simulation (LES) turbulence models on predicting flame lift-off lengths (LOLs) and ignition delays. Specifically, two chemical kinetic mechanisms for n-heptane (NHPT) and three for biodiesel surrogates are investigated. In addition, the renormalization group (RNG) k-ε (RANS) model is compared to the Smagorinsky based LES turbulence model. Using adaptive grid resolution, minimum grid sizes of 250 μm and 125 μm were obtained for the RANS and LES cases, respectively. Validations of these models were performed against experimental data from Sandia National Laboratories in a constant volume combustion chamber. Ignition delay and flame lift-off validations were performed at different ambient temperature conditions. The LES model predicts lower ignition delays and qualitatively better flame structures compared to the RNG k-ε model. The use of realistic chemistry and a ternary surrogate mixture, which consists of methyl decanoate, methyl nine-decenoate, and NHPT, results in better predicted LOLs and ignition delays. For diesel fuel though, only marginal improvements are observed by using larger size mechanisms. However, these improved predictions come at a significant increase in computational cost.

Simulating Flame Lift-Off Characteristics of Diesel and Biodiesel Fuels Using Detailed Chemical-Kinetic Mechanisms and LES Turbulence Model

2011 ◽  
Author(s):  
Sibendu Som ◽  
Douglas E. Longman ◽  
Zhaoyu Luo ◽  
Max Plomer ◽  
Tianfeng Lu ◽  
...  
Keyword(s):  
Turbulence Model ◽  
Turbulence Models ◽  
Chemical Kinetic ◽  
Upstream Region ◽  
Spray Combustion ◽  
Turbulent Diffusion Flame ◽  
Lifted Flame ◽  
Kinetic Mechanisms ◽  
Lift Off ◽  
Biodiesel Fuels

Combustion in direct-injection diesel engines occurs in a lifted, turbulent diffusion flame mode. Numerous studies indicate that the combustion and emissions in such engines are strongly influenced by the lifted flame characteristics, which are in turn determined by fuel and air mixing in the upstream region of the lifted flame, and consequently by the liquid breakup and spray development processes. From a numerical standpoint, these spray combustion processes depend heavily on the choice of underlying spray, combustion, and turbulence models. The present numerical study investigates the influence of different chemical kinetic mechanisms for diesel and biodiesel fuels, as well as Reynolds-averaged Navier-Stokes (RANS) and large eddy simulation (LES) turbulence models on predicting flame lift-off lengths (LOLs) and ignition delays. Specifically, two chemical kinetic mechanisms for n-heptane (NHPT) and three for biodiesel surrogates are investigated. In addition, the RNG k-ε (RANS) model is compared to the Smagorinsky based LES turbulence model. Using adaptive grid resolution, minimum grid sizes of 250 μm and 125 μm were obtained for the RANS and LES cases respectively. Validations of these models were performed against experimental data from Sandia National Laboratories in a constant volume combustion chamber. Ignition delay and flame lift-off validations were performed at different ambient temperature conditions. The LES model predicts lower ignition delays and qualitatively better flame structures compared to the RNG k-ε model. The use of realistic chemistry and a ternary surrogate mixture, which consists of methyl decanoate, methyl 9-decenoate, and NHPT, results in better predicted LOLs and ignition delays. For diesel fuel though, only marginal improvements are observed by using larger size mechanisms. However, these improved predictions come at a significant increase in computational cost.

Modeling spray combustion using multi-component surrogate fuels

2021 ◽  
pp. 095765092110025
Author(s):  
Tao Yang ◽  
Ran Yi ◽  
Qiaoling Wang ◽  
Chien-Pin Chen
Keyword(s):  
Chemical Properties ◽  
Kinetic Mechanism ◽  
Chemical Kinetic ◽  
Spray Combustion ◽  
Surrogate Fuels ◽  
Diesel Fuels ◽  
Constant Volume Chamber ◽  
Kinetic Mechanisms ◽  
Lift Off ◽  
Evaporation Models

Kerosene and diesel fuels involved in spray combustion operations are complex fuels composed of a wide and diverse variety of hydrocarbon components. For practical numerical modeling of the evaporation and combustion phenomena in a combustor, well-designed surrogates fuels that can mimic the real fuel thermal and chemical properties can be utilized. In this study, predictions and validations of the influence of fuel on the liquid and vapor penetration characteristics within a constant-volume chamber were first performed utilizing a benchmark m-xylene/ n-dodecane, Jet-A, and diesel surrogate fuels. Then, simulations of reacting spray of a bi-component m-xylene/ n-dodecane fule, and a four-component Jet-A surrogate fuel ( n-dodecane (C12H26), iso-cetane (C16H34), trans-decalin (C10H18) and toluene (C7H8)) were studied aided by skeleton chemical kinetic mechanisms available from the literature. The results of ignition delay time, lift-off length, radicals, and the mass fraction histories of fuel species were comprehensively used to assess the performance of relevant thermophysical and chemical sub-models. Two different chemical mechanisms were compared in detail to investigate the effect of the chemical kinetics model on the flame structures and spray characteristics. It has been found that the spray ignition of multi-component fuels is remarkably influenced by the chosen chemical kinetic mechanism and less affected by the droplet evaporation models.

scholarly journals Chemical kinetic mechanisms and scaling of two-dimensional polymers via irreversible solution-phase reactions

2021 ◽  
Vol 154 (19) ◽  
pp. 194901
Author(s):  
Ge Zhang ◽  
Yuwen Zeng ◽  
Pavlo Gordiichuk ◽  
Michael S. Strano
Keyword(s):  
Chemical Kinetic ◽  
Solution Phase ◽  
Two Dimensional ◽  
Kinetic Mechanisms

scholarly journals Three-dimensional Simulation and Analysis of Spray Structure inVertical MOCVD Reaction Chamber

2020 ◽  
Vol 585 ◽  
pp. 012183
Author(s):  
Liu Changjiang ◽  
Li Zhiming ◽  
Guo Runqiu ◽  
Feng Lansheng ◽  
YangShun Tao
Keyword(s):  
Three Dimensional ◽  
Reaction Chamber ◽  
Spray Structure ◽  
Dimensional Simulation

Simulation of HCCI Combustion Characteristics for Low RON Gasoline Surrogate Fuels

2014 ◽  
Vol 694 ◽  
pp. 54-58
Author(s):  
Ling Zhe Zhang ◽  
Ya Kun Sun ◽  
Su Li ◽  
Qing Ping Zheng
Keyword(s):  
Equivalence Ratio ◽  
Chemical Kinetic ◽  
Combustion Characteristics ◽  
Material Strength ◽  
Inlet Temperature ◽  
Compression Ignition Engine ◽  
Chemical Kinetic Model ◽  
Hcci Engine ◽  
Surrogate Fuels ◽  
Inlet Conditions

A reduced chemical kinetic model (103species and 468 reactions) for new low-RON(research octane number) gasoline surrogate fuels has been proposed. Simulations explored for ignition delay time have been compared with experimental data in shock tubes at pressure of 10atm-55 atm and temperatue of 600-1400 K (fuel/air equivalence ratio=0.5,1.0,2.0 and EGR rate=0, 20%). The simulation data presented 15% enlargement compared with experiments showed applicability of the new kinetic mode in this work. A combustion simulation model has been build for HCCI(homogeneous charge compression ignition) engine with Chemkin-pro. The effects of different air inlet temperature, inlet pressure, engine speed and the fuel air equivalence ratio on the combustion characteristics of the fuel were researched. The results indicated the combustion in an HCCI engine worked sufficiently with lean mixtures and low speed. Meanwhile the material strength could be influenced when the inlet conditions changed. This helps to promote the low-RON gasoline surrogate fuel application in the HCCI engine.

Direct simulation of evolution and control of three-dimensional instabilities in attachment-line boundary layers

1995 ◽  
Vol 291 ◽  
pp. 369-392 ◽  
Author(s):  
Ronald D. Joslin
Keyword(s):  
Boundary Layer ◽  
Stokes Equations ◽  
Three Dimensional ◽  
Plate Boundary ◽  
Navier Stokes ◽  
Two Dimensional ◽  
Computationally Efficient ◽  
Simulation Results ◽  
Dimensional Simulation ◽  
Attachment Line

The spatial evolution of three-dimensional disturbances in an attachment-line boundary layer is computed by direct numerical simulation of the unsteady, incompressible Navier–Stokes equations. Disturbances are introduced into the boundary layer by harmonic sources that involve unsteady suction and blowing through the wall. Various harmonic-source generators are implemented on or near the attachment line, and the disturbance evolutions are compared. Previous two-dimensional simulation results and nonparallel theory are compared with the present results. The three-dimensional simulation results for disturbances with quasi-two-dimensional features indicate growth rates of only a few percent larger than pure two-dimensional results; however, the results are close enough to enable the use of the more computationally efficient, two-dimensional approach. However, true three-dimensional disturbances are more likely in practice and are more stable than two-dimensional disturbances. Disturbances generated off (but near) the attachment line spread both away from and toward the attachment line as they evolve. The evolution pattern is comparable to wave packets in flat-plate boundary-layer flows. Suction stabilizes the quasi-two-dimensional attachment-line instabilities, and blowing destabilizes these instabilities; these results qualitatively agree with the theory. Furthermore, suction stabilizes the disturbances that develop off the attachment line. Clearly, disturbances that are generated near the attachment line can supply energy to attachment-line instabilities, but suction can be used to stabilize these instabilities.

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