An improved 3-pentanone high temperature kinetic model using Bayesian optimization algorithm based on ignition delay times, flame speeds and species profiles

Fuel ◽  
2020 ◽  
Vol 279 ◽  
pp. 118540
Author(s):  
Qianjin Lin ◽  
Junmei Zheng ◽  
Chun Zou ◽  
Jia Cheng ◽  
Jiarui Li ◽  
...  
Keyword(s):  
High Temperature ◽  
Kinetic Model ◽  
Optimization Algorithm ◽  
Ignition Delay ◽  
Bayesian Optimization ◽  
Bayesian Optimization Algorithm ◽  
Ignition Delay Times ◽  
Delay Times

An improved 2-pentanone low to high-temperature kinetic model using Bayesian Optimization algorithm

2021 ◽  
Vol 231 ◽  
pp. 111453
Author(s):  
Qianjin Lin ◽  
Chun Zou ◽  
Shibo Liu ◽  
Yunpeng Wang ◽  
Lixin Lu ◽  
...  
Keyword(s):  
High Temperature ◽  
Kinetic Model ◽  
Optimization Algorithm ◽  
Bayesian Optimization ◽  
Bayesian Optimization Algorithm

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.

Comparative Investigation of N-Heptane Droplet Ignition in High Temperature Convective Environments

2007 ◽  
Author(s):  
J. Chen ◽  
X. F. Peng ◽  
Y. G. Ju ◽  
B. X. Wang
Keyword(s):  
High Temperature ◽  
Ignition Delay ◽  
Comparative Investigation ◽  
Elementary Reactions ◽  
Fuel Droplets ◽  
Ignition Delay Times ◽  
Delay Times ◽  
One Step ◽  
Flame Behavior ◽  
Skeletal Mechanism

A 2-D numerical model was proposed to investigate the ignition of liquid fuel droplets in convective environments at high temperature. This model employed a skeletal mechanism consisting of 34 reactive species and 56 elementary reactions, rather than one-step overall reaction as in normal 2-D droplet ignition models, because the skeletal mechanism for n-heptane reproduces ignition delay times at various temperatures and pressures reasonably well. In present investigation an emphasis was addressed on the comparative analysis of suitability of the model, particularly numerical simulations were compared with experiments available in the literature, or for N-heptane droplets ignition in the convective air at temperature in a range of 1100K∼1400K and velocity of 2m/s. The ignition delay time and ignition position were obtained using an ignition criterion based on OH radical mass fraction. The flame behavior after ignition was also studied comparatively. The agreement between numerical simulation and experiments is reasonably good.

Measurements of the High Temperature Ignition Delay Times and Kinetic Modeling Study on Oxidation of Nitromethane

2019 ◽  
Vol 192 (2) ◽  
pp. 313-334 ◽  
Author(s):  
Zhongquan Gao ◽  
Meng Yang ◽  
Chenglong Tang ◽  
Feiyu Yang ◽  
Ke Yang ◽  
...  
Keyword(s):  
High Temperature ◽  
Kinetic Modeling ◽  
Ignition Delay ◽  
Ignition Delay Times ◽  
Delay Times ◽  
Modeling Study

Constrained-Equilibrium Modeling of Methane Oxidation in Air

2014 ◽  
Vol 136 (3) ◽  
Author(s):  
Ghassan Nicolas ◽  
Mohammad Janbozorgi ◽  
Hameed Metghalchi
Keyword(s):  
Kinetic Model ◽  
Ignition Delay ◽  
Combustion Process ◽  
Rate Equations ◽  
Time Step ◽  
Ignition Delay Times ◽  
Wide Range ◽  
Delay Times ◽  
Constrained Equilibrium ◽  
Detailed Kinetic Model

Rate-controlled constrained-equilibrium method has been further developed to model methane/air combustion. A set of constraints has been identified to predict the nonequilibrium evolution of the combustion process. The set predicts the ignition delay times of the corresponding detailed kinetic model to within 10% of accuracy over a wide range of initial temperatures (900 K–1200 K), initial pressures (1 atm–50 atm) and equivalence ratios (0.6–1.2). It also predicts the experimental shock tube ignition delay times favorably well. Direct integration of the rate equations for the constraint potentials has been employed. Once the values of the potentials are obtained, the concentration of all species can be calculated. The underlying detailed kinetic model involves 352 reactions among 60 H/O/N/C1-2 species, hence 60 rate equations, while the RCCE calculations involve 16 total constraints, thus 16 total rate equations. Nonetheless, the constrained-equilibrium concentrations of all 60 species are calculated at any time step subject to the 16 constraints.

The Shock Tube Autoignition of Biodiesels and Biodiesel Components

2013 ◽  
Author(s):  
Weijing Wang ◽  
Matthew A. Oehlschlaeger
Keyword(s):  
High Temperature ◽  
Methyl Ester ◽  
Shock Tube ◽  
Ignition Delay ◽  
Methyl Esters ◽  
Acid Methyl Ester ◽  
Oh Radicals ◽  
Reflected Shock ◽  
Ignition Delay Times ◽  
Delay Times

The autoignition of fatty-acid methyl ester biodiesels and methyl ester biodiesel components was studied in gas-phase shock tube experiments. Ignition delay times for two reference methyl ester biodiesel fuels, derived from methanol-based transesterification of soybean oil and animal fats, and four primary constituents of all methyl ester biodiesels, methyl palmitate, methyl stearate, methyl oleate, and methyl linoleate, were measured behind reflected shock waves for fuel/air mixtures at temperatures ranging from 900 to 1350 K and at pressures around 10 and 20 atm. Ignition delay times were determined by monitoring pressure and chemiluminescence from electronically-excited OH radicals around 310 nm. The results show similarity in ignition delay times for all methyl ester fuels considered, irrespective of the variations in organic structure, at the high-temperature conditions studied and also similarity in high-temperature ignition delay times for methyl esters and n-alkanes.

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