Skeletal Mechanism for C2H4 Combustion With PAH Formation

2008 ◽  
Author(s):  
N. Slavinskaya ◽  
A. Zizin ◽  
M. Braun-Unkhoff ◽  
C. Lenfers
Keyword(s):  
Experimental Data ◽  
Laminar Flame ◽  
Polyaromatic Hydrocarbons ◽  
Kinetic Mechanism ◽  
Ignition Delay Times ◽  
Delay Times ◽  
Skeletal Model ◽  
Temporal Profiles ◽  
Detailed Kinetic Mechanism ◽  
Good Agreement

A semi-detailed kinetic mechanism with 100 species and 816 reactions for ethylene combustion including PAH formation was elaborated. The model includes the C2H5OH sub mechanism combustion as well. This mechanism has in view to be the base of further kinetic schemes of practical fuels (reference fuels). The mechanism was reduced to a skeletal model with 72 species and 580 reactions. The elaborated models were validated on experimental data bases of heat release as well as formation of polyaromatic hydrocarbons and soot in laminar premixed C2H4, C2H4 / C2H5OH flames taken from literature. The calculated ignition delay times, laminar flame speeds, as well as temporal profiles of small and large aromatics and also soot particles are in good agreement with experimental data obtained for pressures 1 – 5 bar, temperatures T0 = 1100 – 2300 K, fuel/oxygen equivalence ratio φ = 0.5 – 2.

A Study on Fundamental Combustion Properties of Oxymethylene Ether-2

2021 ◽  
Author(s):  
John N. Ngugi ◽  
Sandra Richter ◽  
Marina Braun-Unkhoff ◽  
Clemens Naumann ◽  
Markus Köhler ◽  
...  
Keyword(s):  
Experimental Data ◽  
Reaction Mechanisms ◽  
Ignition Delay ◽  
Laminar Flame ◽  
Cone Angle ◽  
Sensitivity Analyses ◽  
Chain Reactions ◽  
Ignition Delay Times ◽  
Combustion Properties ◽  
Delay Times

Abstract Oxymethylene ethers (OMEn, n = 1–5) are a promising class of synthetic fuels that have the potential to be used as additives or substitutes to diesel in compression ignition engines. A comprehensive understanding of their combustion properties is required for their safe and efficient utilization. In this study, the results of a combined experimental and modeling work on oxidation of OME2 are reported: (i) Ignition delay time measurements of stoichiometric OME2 / synthetic air mixtures diluted 1:5 with nitrogen using the shock tube method at pressures of 1, 4, and 16 bar, and (ii) laminar flame speeds of OME2 / air mixtures using the cone angle method at ambient and elevated pressures of 3 and 6 bar. The experimental data sets obtained have been used for validation of a detailed reaction mechanisms of OME2. The results of ignition delay times showed that OME2 exhibits a two-stage ignition in the lower temperature region. There is a good match of the measured data compared to the predicted ones using three reaction mechanisms from the literature. The mechanism from Cai et al. (2020) best predicted the temperature and pressure dependence of ignition delay times. For laminar flame speeds, the experimental data were well matched by the mechanism from Ren et al. (2019) at p = 1, 3, and 6 bar and for all equivalence ratios considered. From sensitivity analyses calculations, it was observed that chain reactions involving small radicals, i.e., H, O, OH, HO2, and CH3 control the oxidation of OME2. The comparison of the results of this work and our previous work (Ngugi et al. (2021)) on OME1 show that these two fuels have similar oxidation pathways. The results obtained in this work will contribute to a better understanding of the combustion of oxymethylene ethers, and thus, to the design and optimization of burners and engines as well.

A Study On Fundamental Combustion Properties of Oxymethylene Ether-2

2021 ◽  
Author(s):  
John Mburu Ngugi ◽  
Sandra Richter ◽  
Marina Braun-Unkhoff ◽  
Clemens Naumann ◽  
Markus Köhler ◽  
...  
Keyword(s):  
Experimental Data ◽  
Ignition Delay ◽  
Laminar Flame ◽  
Cone Angle ◽  
Sensitivity Analyses ◽  
Chain Reactions ◽  
Design And Optimization ◽  
Ignition Delay Times ◽  
Combustion Properties ◽  
Delay Times

Abstract Oxymethylene ethers (OMEn, n=1-5) are a promising class of synthetic fuels that have the potential to be used as diesel additives or substitutes. A comprehensive understanding of their combustion properties is required for their safe and efficient utilization. In this study, a combined experimental and modeling work on oxidation of OME2 is reported: (i) Ignition delay time measurements of stoichiometric OME2 / synthetic air mixtures diluted 1:5 with nitrogen using the shock tube method at pressures of 1, 4, and 16 bar, and (ii) laminar flame speeds of OME2 / air mixtures using the cone angle method at pressures of 1, 3 and 6 bar. The experimental data obtained have been used for validation of three detailed reaction mechanisms of OME2. The results of ignition delay times showed that OME2 exhibits a two-stage ignition in the lower temperature region. The mechanism from Cai et al. (2020) best predicted the temperature and pressure dependence of ignition delay times. For laminar flame speeds, the experimental data were well matched by the mechanism from Ren et al. (2019) for all the conditions of pressures and equivalence ratios considered. From sensitivity analyses, it was observed that chain reactions involving small radicals, i.e., H, O, OH, HO2, and CH3 control the oxidation of OME2. The results obtained in this work will contribute to a better understanding of the combustion of oxymethylene ethers, and thus, to the design and optimization of burners and engines as well.

Ignition Characteristics of a Fischer-Tropsch Synthetic Jet Fuel

2008 ◽  
Author(s):  
P. Gokulakrishnan ◽  
M. S. Klassen ◽  
R. J. Roby
Keyword(s):  
Kinetic Model ◽  
Ignition Delay ◽  
Flow Reactor ◽  
Kinetic Mechanism ◽  
Jet Fuel ◽  
Synthetic Jet ◽  
Jet Fuels ◽  
Ignition Delay Times ◽  
Delay Times ◽  
Ignition Characteristics

Ignition delay times of a “real” synthetic jet fuel (S8) were measured using an atmospheric pressure flow reactor facility. Experiments were performed between 900 K and 1200 K at equivalence ratios from 0.5 to 1.5. Ignition delay time measurements were also performed with JP8 fuel for comparison. Liquid fuel was prevaporized to gaseous form in a preheated nitrogen environment before mixing with air in the premixing section, located at the entrance to the test section of the flow reactor. The experimental data show shorter ignition delay times for S8 fuel than for JP8 due to the absence of aromatic components in S8 fuel. However, the ignition delay time measurements indicate higher overall activation energy for S8 fuel than for JP8. A detailed surrogate kinetic model for S8 was developed by validating against the ignition delay times obtained in the present work. The chemical composition of S8 used in the experiments consisted of 99.7 vol% paraffins of which approximately 80 vol% was iso-paraffins and 20% n-paraffins. The detailed kinetic mechanism developed in the current work included n-decane and iso-octane as the surrogate components to model ignition characteristics of synthetic jet fuels. The detailed surrogate kinetic model has approximately 700 species and 2000 reactions. This kinetic mechanism represents a five-component surrogate mixture to model generic kerosene-type jets fuels, namely, n-decane (for n-paraffins), iso-octane (for iso-paraffins), n-propylcyclohexane (for naphthenes), n-propylbenzene (for aromatics) and decene (for olefins). The sensitivity of iso-paraffins on jet fuel ignition delay times was investigated using the detailed kinetic model. The amount of iso-paraffins present in the jet fuel has little effect on the ignition delay times in the high temperature oxidation regime. However, the presence of iso-paraffins in synthetic jet fuels can increase the ignition delay times by two orders of magnitude in the negative temperature (NTC) region between 700 K and 900 K, typical gas turbine conditions. This feature can have a favorable impact on preventing flashback caused by the premature autoignition of liquid fuels in lean premixed prevaporized (LPP) combustion systems.

Combustion Simulation of Propane/Oxygen (With Nitrogen/Argon) Mixtures Using Rate-Controlled Constrained-Equilibrium

2018 ◽  
Vol 141 (2) ◽  
Author(s):  
Guangying Yu ◽  
Hameed Metghalchi ◽  
Omid Askari ◽  
Ziyu Wang
Keyword(s):  
Experimental Data ◽  
Energy System ◽  
Kinetic Mechanism ◽  
Chemical Kinetic ◽  
Oxygen Mixture ◽  
Free Valence ◽  
Wide Range ◽  
Constrained Equilibrium ◽  
Rate Controlled ◽  
Good Agreement

The rate-controlled constrained-equilibrium (RCCE), a model order reduction method, has been further developed to simulate the combustion of propane/oxygen mixture diluted with nitrogen or argon. The RCCE method assumes that the nonequilibrium states of a system can be described by a sequence of constrained-equilibrium states subject to a small number of constraints. The developed new RCCE approach is applied to the oxidation of propane in a constant volume, constant internal energy system over a wide range of initial temperatures and pressures. The USC-Mech II (109 species and 781 reactions, without nitrogen chemistry) is chosen as chemical kinetic mechanism for propane oxidation for both detailed kinetic model (DKM) and RCCE method. The derivation for constraints of propane/oxygen mixture starts from the eight universal constraints for carbon-fuel oxidation. The universal constraints are the elements (C, H, O), number of moles, free valence, free oxygen, fuel, and fuel radicals. The full set of constraints contains eight universal constraints and seven additional constraints. The results of RCCE method are compared with the results of DKM to verify the effectiveness of constraints and the efficiency of RCCE. The RCCE results show good agreement with DKM results under different initial temperature and pressures, and RCCE also reduces at least 60% CPU time. Further validation is made by comparing the experimental data; RCCE shows good agreement with shock tube experimental data.

Flame Characteristics and Ignition Delay Times of 2,5-Dimethylfuran: A Systematic Review With Comparative Analysis

2020 ◽  
Vol 143 (7) ◽  
Author(s):  
Van Vang Le ◽  
Anh Tuan Hoang ◽  
Sandro Nižetić ◽  
Aykut I. Ölçer
Keyword(s):  
Ignition Delay ◽  
Fossil Fuels ◽  
Laminar Flame ◽  
Comprehensive Evaluation ◽  
Experimental Studies ◽  
Propagation Speed ◽  
Spark Ignition Engine ◽  
Ignition Delay Times ◽  
Delay Times ◽  
Flame Instabilities

Abstract Global concerns about CO2 levels in the atmosphere, energy security, and the depletion of fossil fuel supply have been the key motivation to develop bio-based fuel resources, which leads to promising and potential strategies of renewable and carbon-neutral biofuels. Among biofuels being strongly developed, 2,5-dimethylfuran (DMF) is a new alternative biofuel candidate since DMF could be synthesized from available and durable lignocellulosic biomass, as well as DMF's physicochemical properties were found to be similar to those of fossil fuels. Therefore, the comprehensive investigation on DMF is very essential before putting DMF into the commercial scale and the engine application. In this current work, the temporal evolutions of laminar flame characteristics including laminar burning velocities, unstretched flame propagation speed, and Schlieren images were critically reviewed based on the comparison of DMF with other fuels. Besides, flame instabilities were also evaluated in detail. Finally, ignition delay times were thoroughly analyzed with the variation of the initial parameters such as temperature, pressure, and equivalent ratio, suggesting that DMF could become the potential fuel for the spark ignition engine. In the future, the experimental studies on the real engines fueled with DMF should be carefully and completely performed to have a comprehensive evaluation of this promising biofuel class.

scholarly journals PENENTUAN ANGKA OKTANA BAHAN BAKAR KOMERSIAL DENGAN MENGGUNAKAN MODEL KINETIKA OKSIDASI DAN PEMBAKARAN HIDROKARBON MULTIKOMPONEN

REAKTOR ◽  
2012 ◽  
Vol 14 (2) ◽  
pp. 109 ◽  
Author(s):  
Yuswan Muharam ◽  
Chandra Hadiwijaya ◽  
Jacquin Suryadi
Keyword(s):  
Old Age ◽  
Ignition Delay ◽  
Equivalence Ratio ◽  
Initial Pressure ◽  
Volume Percentage ◽  
Ignition Delay Times ◽  
Delay Times ◽  
Commercial Fuel ◽  
Good Agreement

One of the characteristics of gasoline fuel is anti-knock property represented by its octanenumber. The determination of octane numbers in Indonesia is by using cooperative fuel researchengines. The usage of cooperative fuel research engines in Indonesia has constraints, i.e. the limitednumber of the units and the old age. This study aims to obtain the octane numbers of commercialfuels by using kinetic models. The kinetics models of the oxidation and combustion of primaryreference fuel and multi component hydrocarbons are used to calculate the ignition delay times ofprimary reference fuel and commercial fuels, respectively. The ignition delay times of primaryreference fuel and commercial fuels are calculated at the same initial pressure and temperature, aswell as the same equivalence ratio. The octane number of a commercial fuel is known if its ignitiondelay time agrees with that of PFR possessing a certain volume percentage of isooctane. The modelgenerates the octane numbers of commercial fuels BB-A being 92.5, BB-B being 94.5, BB-C being89, BB-D being 90.5 and BB-E being 91.5 with the good agreement with those claimed by the fuelproducers. Salah satu karakteristik bahan bakar bensin adalah sifat anti ketukan yang dinyatakan dengan angkaoktana. Penentuan angka oktana di Indonesia menggunakan mesin CFR (cooperative fuel research).Pemakaian mesin CFR di Indonesia memiliki kendala, yaitu jumlah unit terbatas dan usia tua.Penelitian ini bertujuan mendapatkan angka oktana bahan bakar komersial dengan menggunakanmodel kinetika. Model kinetika oksidasi dan pembakaran bahan bakar rujukan utama dan modelhidrokarbon multikomponen yang telah divalidasi masing-masing digunakan untuk menghitungwaktu tunda ignisi bahan bakar rujukan utama dan bahan bakar komersial. Waktu tunda ignisibahan bakar rujukan utama dan bahan bakar komersial dihitung pada tekanan dan temperatur awal,serta rasio ekuivalensi yang sama. Angka oktana suatu bahan bakar komersial diketahui apabilawaktu tunda ignisinya cocok dengan waktu tunda ignisi bahan bakar rujukan utama yang memilikipersen volume isooktana tertentu. Model menghasilkan angka oktana bahan bakar komersial BB-Asebesar 92,5, BB-B 94,5, BB-C 89, BB-D 90,5 dan BB-E 91,5 yang memiliki ketepatan yang tinggiterhadap klaim produser bahan bakar komersial.

scholarly journals Simulation of the Oxidation and Combustion of Mixed Diesel-Biodiesel Fuel

2018 ◽  
Vol 156 ◽  
pp. 03008
Author(s):  
Yuswan Muharam ◽  
Danny Leonardi ◽  
Alisya P Ramadhania
Keyword(s):  
Kinetic Model ◽  
Kinetic Models ◽  
Equivalence Ratio ◽  
Biodiesel Fuel ◽  
Ignition Delay Times ◽  
Simulation Based ◽  
Delay Times ◽  
Set Up ◽  
Biodiesel Fuels ◽  
Good Agreement

A comparative simulation-based research has been set up to obtain valid kinetic models of the oxidation and combustion of biodiesel surrogate and diesel surrogate, as well as mixed diesel-biodiesel surrogates which is used to predict their ignition delay times (IDT). The research consists of the development of the detailed kinetic models of the oxidation and combustion of biodiesel surrogate and diesel surrogate, the validation of the two models with the corresponding experimental IDT data, the merging and the validation of the two models for mixed diesel-biodiesel surrogates. The biodiesel surrogate kinetic model was validated with the experimental IDT data of methyl 9-decenoate at 20 atm and three equivalence ratios. The diesel surrogate kinetic model was validated with the experimental IDT data of n-hexadecane at the pressure ranging from 2 atm to 5 atm and the equivalence ratio of 1.0. The diesel-biodiesel surrogate kinetic model was validated with the experimental IDT data of real diesel-biodiesel fuels for four compositions and at 1.18 atm. The validation results of all models show that the models and the experiments are in good agreement.

Laminar Flame Speed and Ignition Delay Time Data for the Kinetic Modeling of Hydrogen and Syngas Fuel Blends

2013 ◽  
Vol 135 (2) ◽  
Author(s):  
Michael C. Krejci ◽  
Olivier Mathieu ◽  
Andrew J. Vissotski ◽  
Sankaranarayanan Ravi ◽  
Travis G. Sikes ◽  
...  
Keyword(s):  
Carbon Monoxide ◽  
Chemical Kinetics ◽  
Ignition Delay ◽  
Laminar Flame ◽  
Flame Speed ◽  
Laminar Flame Speed ◽  
Elevated Pressures ◽  
Ignition Delay Times ◽  
Wide Range ◽  
Delay Times

Laminar flame speeds and ignition delay times have been measured for hydrogen and various compositions of H2/CO (syngas) at elevated pressures and elevated temperatures. Two constant-volume cylindrical vessels were used to visualize the spherical growth of the flame through the use of a schlieren optical setup to measure the laminar flame speed of the mixture. Hydrogen experiments were performed at initial pressures up to 10 atm and initial temperatures up to 443 K. A syngas composition of 50/50 by volume was chosen to demonstrate the effect of carbon monoxide on H2-O2 chemical kinetics at standard temperature and pressures up to 10 atm. All atmospheric mixtures were diluted with standard air, while all elevated-pressure experiments were diluted with a He:O2 ratio of 7:1 to minimize instabilities. The laminar flame speed measurements of hydrogen and syngas are compared to available literature data over a wide range of equivalence ratios, where good agreement can be seen with several data sets. Additionally, an improved chemical kinetics model is shown for all conditions within the current study. The model and the data presented herein agree well, which demonstrates the continual, improved accuracy of the chemical kinetics model. A high-pressure shock tube was used to measure ignition delay times for several baseline compositions of syngas at three pressures across a wide range of temperatures. The compositions of syngas (H2/CO) by volume presented in this study included 80/20, 50/50, 40/60, 20/80, and 10/90, all of which are compared to previously published ignition delay times from a hydrogen-oxygen mixture to demonstrate the effect of carbon monoxide addition. Generally, an increase in carbon monoxide increases the ignition delay time, but there does seem to be a pressure dependency. At low temperatures and pressures higher than about 12 atm, the ignition delay times appear to be indistinguishable with an increase in carbon monoxide. However, at high temperatures the relative composition of H2 and CO has a strong influence on ignition delay times. Model agreement is good across the range of the study, particularly at the elevated pressures.

Ignition and Flame Speed Kinetics of Two Natural Gas Blends With High Levels of Heavier Hydrocarbons

2008 ◽  
Author(s):  
Gilles Bourque ◽  
Darren Healy ◽  
Henry Curran ◽  
Christopher Zinner ◽  
Danielle Kalitan ◽  
...  
Keyword(s):  
High Pressure ◽  
Chemical Kinetics ◽  
Ignition Delay ◽  
Laminar Flame ◽  
Flame Speed ◽  
Data Set ◽  
Chemical Kinetic Model ◽  
Fuel Blends ◽  
Ignition Delay Times ◽  
Delay Times

High-pressure experiments and chemical kinetics modeling were performed to generate a database and a chemical kinetic model that can characterize the combustion chemistry of methane-based fuel blends containing significant levels of heavy hydrocarbons (up to 37.5% by volume). Ignition delay times were measured in two different shock tubes and in a rapid compression machine at pressures up to 34 atm and temperatures from 740 to 1660 K. Laminar flame speeds were also measured at pressures up to 4 atm using a high-pressure vessel with optical access. Two different fuel blends containing ethane, propane, n-butane, and n-pentane added to methane were studied at equivalence ratios varying from lean (0.3) to rich (2.0). This paper represents the most comprehensive set of experimental ignition and laminar flame speed data available in the open literature for CH4/C2H6/C3H8/C4H10/C5H12 fuel blends with significant levels of C2+ hydrocarbons. Using these data, a detailed chemical kinetics model, based on current and recent work by the authors, was compiled and refined. The predictions of the model are very good over the entire range of ignition delay times, considering the fact that the data set is so thorough. Nonetheless, some improvements to the model can still be made with respect to ignition times at the lowest temperatures and for the laminar flame speeds at pressures above 1 atm and rich conditions.

High Pressure Ignition Delay Times Measurements and Comparison of the Performance of Several Oxy-Syngas Mechanisms Under High CO2 Dilution

2018 ◽  
Author(s):  
Samuel Barak ◽  
Erik Ninnemann ◽  
Sneha Neupane ◽  
Frank Barnes ◽  
Jayanta Kapat ◽  
...  
Keyword(s):  
Experimental Data ◽  
High Pressure ◽  
Ignition Delay ◽  
Current Data ◽  
High Co2 ◽  
Reflected Shock ◽  
Ignition Delay Times ◽  
Delay Times ◽  
Syngas Combustion ◽  
Data Points

In this study, syngas combustion was investigated behind reflected shock waves in CO2 bath gas to measure ignition delay times and to probe the effects of CO2 dilution. New syngas data were taken between pressures of 34.58–45.50 atm and temperatures of 1113–1275K. This study provides experimental data for syngas combustion in CO2 diluted environments: ignition studies in a shock tube (59 data points in 10 datasets). In total, these mixtures covered a range of temperatures T, pressures P, equivalence ratios φ, H2/CO ratio θ, and CO2 diluent concentrations. Multiple syngas combustion mechanisms exist in the literature for modelling ignition delay times and their performance can be assessed against data collected here. In total, twelve mechanisms were tested and presented in this work. All mechanisms need improvements at higher pressures for accurately predicting the measured ignition delay times. At lower pressures, some of the models agreed relatively well with the data. Some mechanisms predicted ignition delay times which were 2 orders of magnitudes different from the measurements. This suggests there is behavior that has not been fully understood on the kinetic models and are inaccurate in predicting CO2 diluted environments for syngas combustion. To the best of our knowledge, current data are the first syngas ignition delay times measurements close to 50 atm under highly CO2 diluted (85% per vol.) conditions.

Sign in / Sign up

Export Citation Format

Share Document