An analytical model to estimate the time delay to reach spontaneous ignition considering heat loss in oil reservoirs

During air injection into an oil reservoir,an oxidation reaction generates some heat to raise the reservoir temperature.When the reservoir temperature reaches an ignition temperature,spontaneous ignition occurs.There is a time delay from the injection to ignition.There are mixed results regarding the feasibility of spontaneous ignition in real-field projects and in laboratory experiments.No analytical model is available in the literature to estimate the oxidation time required to reach spontaneous ignition with heat loss.This paper discusses the feasibility of spontaneous ignition from theoretical points and experimental and field project observations.An analytical model considering heat loss is proposed.Analytical models with and without heat loss investigate the factors that affect spontaneous ignition.Based on the discussion and investigations,we find that it is more difficult for spontaneous ignition to occur in laboratory experiments than in oil reservoirs;spontaneous ignition is strongly affected by the initial reservoir temperature,oil activity,and heat loss;spontaneous ignition is only possible when the initial reservoir temperature is high,the oil oxidation rate is high,and the heat loss is low.

Kinetic effects of nanosecond discharge on ignition delay time

The effects of nanosecond discharge on ignition characteristics of a stoichiometric methane–air mixture without inert diluent gas were studied by numerical simulation at 0.1 MPa and an initial temperature of 1300 K. A modified non-equilibrium plasma kinetic model was developed to simulate the temporal evolution of particles produced during nanosecond discharge and its afterglow. As important roles in ignition, path fluxes of O and H radicals were analyzed in detail. Different strength of E/N and different discharge duration were applied to the discharge process in this study. And the results presented that a deposited energy of 1–30 m J·cm^(-3) could dramatically reduce the ignition delay time. Furthermore, temperature and radicals analysis was conducted to investigate the effect of non-equilibrium plasma on production of intermediate radicals. Finally, sensitivity analysis was employed to have further understanding on ignition chemistries of the mixture under nanosecond discharge.

基于OH^(*)的NH_(3)-H_(2)-DME高温自着火特性

氨(NH_(3))作为一种十分有前景的零碳替代燃料,其低反应性限制了它的发展和应用,而掺混与其特性互补的其他低碳或零碳燃料,可明显改善其燃烧特性.基于此,在激波管试验平台上利用反射激波和燃料激发态羟基(OH^(*))的自发光特性,测量了温度T为1 300~2 000 K、压力p为0.14 MPa与1.00 MPa且当量比φ为0.5、1.0和2.0条件下,NH_(3)-氢(H_(2))-二甲醚(DME)三元燃料与空气混合燃料的着火延迟期(IDT),并研究了H_(2)+DME作为二元活性剂,其比例在各工况下对纯NH_(3)混合燃料着火延迟期缩短率的影响.结果表明:活性组分比例会影响活性剂的着火促进效果,活性剂H_(2)+DME(摩尔分数比为1∶1)相比同比例下的单一活性剂可以降低混合燃料更多的活化能.三元混合燃料的着火特性随活性剂比例、反应条件不同,有截然不同的特点,其中,在稀燃条件下,H_(2)+DME(摩尔分数比为2∶1)着火促进效果更好,而在富燃条件下,H_(2)+DME(摩尔分数比为1∶2)活性更高.

Ignition characteristics of pre-combustion plasma jet igniter

At present, aero-engines face a major need to widen the ignition envelope. In order to provide a technical support to expand the high altitude ignition envelope of aero-engines, in this article we propose a novel ignition technology, i.e., "precombustion plasma jet ignition technology". In this paper, we also design a pre-combustion plasma jet igniter. Its discharge characteristics, jet characteristics, and ignition effects are studied. The results show that increasing the equivalent ratio of jet gas can enhance the discharge stability and increase the duty cycle. At the same time, it can reduce working power and energy consumption. The increase of equivalent ratio in jet gas can enhance the length and ignition area of plasma jet.In the process of ignition, the pre-combustion plasma jet igniter has obvious advantages, suchn as shortening the ignition delay time and enlarging the ignition boundary. When the airflow velocity is 39.11 m/s and the inlet air temperature is80℃, compared with the spark igniter and the air plasma jet igniter, the pre-combustion plasma jet igniter has an ignition boundary that is expanded by 319.8% and 55.7% respectively.

Effects of CO_2 Dilution on Methane Ignition in Moderate or Intense Low-oxygen Dilution(MILD) Combustion:A Numerical Study

Homogeneous mixtures of CH4/air under moderate or intense low-oxygen dilution（MILD） combustion conditions were numerically studied to clarify the fundamental effects of exhaust gas recirculation（EGR）,espe-cially CO2 in EGR gases,on ignition characteristics.Specifically,effects of CO2 addition on autoignition delay time were emphasized at temperature between 1200 K and 1600 K for a wide range of the lean-to-rich equivalence ratio（0.2~2）.The results showed that the ignition delay time increased with equivalence ratio or CO2 dilution ratio.Fur-thermore,ignition delay time was seen to be exponentially related with the reciprocal of initial temperature.Special concern was given to the chemical effects of CO2 on the ignition delay time.The enhancement of ignition delay time with CO2 addition can be mainly ascribed to the decrease of H,O and OH radicals.The predictions of tem-perature profiles and mole fractions of CO and CO2 were strongly related to the chemical effects of CO2.A single ignition time correlation was obtained in form of Arrhenius-type for the entire range of conditions as a function of temperature,CH4 mole fraction and O2 mole fraction.This correlation could successfully capture the complex be-haviors of ignition of CH4/air/CO2 mixture.The results can be applied to MILD combustion as ＂reference time＂,for example,to predict ignition delay time in turbulent reacting flow.

Shock tube study of n-decane ignition at low pressures

Ignition delay times for n-decane/O2/Ar mixtures were measured behind reflected shock waves using endwall pressure and CH＊ emission measurements in a heated shock tube. The initial postshock conditions cover pressures of 0.09-0.26 MPa, temperatures of 1 227-1 536 K, and oxygen mole fractions of 3.9%-20.7% with an equivalence ratio of 1.0. The correlation formula of ignition delay dependence on pressure, temperature, and oxygen mole fraction was obtained. The current data are in good agreement with available low-pressure experimental data, and they are then compared with the prediction of a kinetic mechanism. The current measurements extend the kinetic modeling targets for the n-decane combustion at low pressures.

Simple Program for Step-by-Step Time Integration in Chemical Kinetics, Applied to Simple Model for Hydrogen Combustion

A simple algorithm is proposed for step-by-step time integration of stiff ODEs in Chemical Kinetics. No predictor-corrector technique is used within each step of the algorithm. It is assumed that species concentrations less than 10-6 mol·L-1 do not activate any chemical reaction. So, within each step, the time steplength Δt of the algorithm is determined from the fastest reaction rate maxR by the formula Δt = 10-6mol·L-1/max R. All the reversible elementary reactions occur simultaneously;however, by a simple book-keeping technique, the updating of species concentrations, within each step of the algorithm, is performed within each elementary reaction separately. The above proposed simple algorithm for Chemical Kinetics is applied to a simple model for hydrogen combustion with only five reversible elementary reactions (Initiation, Propagation, First and Second Branching, Termination by wall destruction) with six species (H2, O2, H, O, HO, H2O). These five reversible reactions are recommended in the literature as the most significant elementary reactions of hydrogen combustion [1] [2]. Based on the proposed here simple algorithm for Chemical Kinetics, applied to the global mechanism of proposed five reversible elementary reactions for hydrogen combustion, a simple and short computer program has been developed with only about 120 Fortran instructions. By this proposed program, the following are obtained: 1) The total species concentration of hydrogen combustion, starting from the sum of initial reactants concentrations [H2] + [O2], gradually diminishes, due to termination reaction by wall destruction, and tends to the final concentration of the product [H2O], that is to the 2/3 of its initial value, in accordance to the established overall stoichiometric reaction of hydrogen combustion 2H2 + O2 → 2H2O. 2) Time-histories for concentrations of main species H2, O2, H, H2O of hydrogen combustion, in explosion and equilibrium regions, obtained by the proposed program, are compared to corresponding ones obtained by accurate computational studies of [3]. 3) In the first step of the algorithm, the only nonzero species concentrations are those of reactants [H2], [O2]. So, the maximum reaction rate is that of the forward initiation reaction max R = Rif = kif[H2] [O2], where the rate constant kif is very slow. Thus, the first time steplength Δt1 = 10-6mol·L-1/max R results long in sec. After the first step, the sequences of all the following Δt’s are very short, in μsec. So, the first time steplength Δt1 can be considered as ignition delay time. 4) It is assumed that explosion corresponds to ignition delay time Δt1 t1 = 10 sec., can be considered as explosion limit curve. This curve is compared to the corresponding one obtained by the accurate computational studies of [2].

Effect of 2,5-dimethylfuran addition on ignition delay times of n-heptane at high temperatures

The shock tube autoignition of 2,5-dimethylfuran (DMF)/n-heptane blends (DMF)/n-100%, by mole fraction) with equivalence ratios of 0.5, 1.0, and 2.0 over the temperature range of 1200-1800 K and pressures of 2.0 atm and 10.0 atm were investigated. A detailed blend chemical kinetic model resulting from the merging of validated kinetic models for the components of the fuel blends was developed. The experimental observations indicate that the ignition delay times nonlinearly increase with an increase in the DMF addition level. Chemical kinetic analysis including radical pool analysis and flux analysis were conducted to explain the DMF addition effects. The kinetic analysis shows that at lower DMF blending levels, the two fuels have negligible impacts on the consumption pathways of each other.As the DMF addition increases to relatively higher levels, the consumption path of n-heptane is significantly changed due to the competition of small radicals, which primarily leads to the nonlinear increase in the ignition delay times of DMF/n-heptane blends.

Comprehensive modeling of ignition and combustion of multiscale aluminum particles under various pressure conditions

The ignition and combustion of aluminum particles are crucial to achieve optimal energy release in propulsion and power systems within a limited residence time.This study seeks to develop theoretical ignition and combustion models for aluminum particles ranging from 10 nm to 1000μm under wide pressure ranges of normal to beyond 10 MPa.Firstly,a parametric analysis illustrates that the convective heat transfer and heterogeneous surface reaction are strongly influenced by pressure,which directly affects the ignition process.Accordingly,the ignition delay time can be correlated with pressure through the p^(b)relationship,with b increasing from-1 to-0.1 as the system transitions from the free molecular regime to the continuum regime.Then,the circuit comparison analysis method was used to interpret an empirical formula capable of predicting the ignition delay time of aluminum particles over a wide range of pressures in N_(2),O_(2),H_(2)O,and CO_(2)atmospheres.Secondly,an analysis of experimental data indicates that the exponents of pressure dependence in the combustion time of large micron-sized particles and nanoparticles are-0.15 and-0.65,respectively.Further,the dominant combustion mechanism of multiscale aluminum particles was quantitatively demonstrated through the Damköhler number(Da)concept.Results have shown that aluminum combustion is mainly controlled by diffusion as Da>10,by chemical kinetics when Da≤0.1,and codetermined by both diffusion and chemical kinetics when 0.1<Da≤10.Finally,an empirical formula was proposed to predict the combustion time of multiscale aluminum particles under high pressure,which showed good agreement with available experimental data.

Shock tube study of kerosene ignition delay at high pressures

Ignition delay times of China No.3 aviation kerosene were measured behind reflected shock waves using a heated high-pressure shock tube.Experimental conditions covered a wider temperature range of 820-1500 K,at pressures of 5.5,11 and 22 atm,equivalence ratios of 0.5,1.0 and 1.5,and oxygen concentration of 20%.Adsorption of kerosene on the shock tube wall was taken into account.Ignition delay times were determined from the onset of the excited radical OH emission in conjunction with the pressure profiles.The experimental results of ignition delay time were correlated with the equations:11 0.22 1.09 2 3.2 10 [Keros ene ] [O2] exp(69941 RT) and 7 0.88 0.23 4.72 10 P exp(62092 RT).The current measurements provide the ignition delay behavior of China No.3 aviation kerosene at high pressures and air-like O2 concentration.

Development of efficient and accurate skeletal mechanisms for hydrocarbon fuels and kerosene surrogate

In this paper,the methodology of the directed relation graph with error propagation and sensitivity analysis（DRGEPSA）,proposed by Niemeyer et al.（Combust Flame 157：1760-1770.2010）.and its differences to the original directed relation graph method are described.Using DRGEPSA,the detailed mechanism of ethylene containing 71 species and 395 reaction steps is reduced to several skeletal mechanisms with different error thresholds.The 25-species and 131-step mechanism and the 24-species and115-step mechanism are found to be accurate for the predictions of ignition delay time and laminar flame speed.Although further reduction leads to a smaller skeletal mechanism with 19 species and 68 steps,it is no longer able to represent the correct reaction processes.With the DRGEPSA method,a detailed mechanism for n-dodecane considering low-temperature chemistry and containing 2115 species and8157 steps is reduced to a much smaller mechanism with249 species and 910 steps while retaining good accuracy.If considering only high-temperature（higher than 1000 K）applications,the detailed mechanism can be simplified to even smaller mechanisms with 65 species and 340 steps or48 species and 220 steps.Furthermore,a detailed mechanism for a kerosene surrogate having 207 species and 1592 steps is reduced with various error thresholds and the results show that the 72-species and 429-step mechanism and the66-species and 392-step mechanism are capable of predicting correct combustion properties compared to those of the detailed mechanism.It is well recognized that kinetic mechanisms can be effectively used in computations only after they are reduced to an acceptable size level for computation capacity and at the same time retaining accuracy.Thus,the skeletal mechanisms generated from the present work are expected to be useful for the application of kinetic mechanisms of hydrocarbons to numerical simulations of turbulent or supersonic combustion.

Effect of the high-power electromagnetic pulses on the reactivity of the coal-water slurry in hot environment

An effect of the high-power electromagnetic pulses onto the droplet of coal-water slurry inside the furnace was investigated.In contrary to the previously investigated laser-induced fuel atomization that occurs at the room temperature,the pre-heated(to 400 K)slurry becomes dry enough to prevent the explosion-like steam formation.Thus,fuel does not atomize and the ignition does not accelerate.Furthermore,the absorption of several laser pulses leads to evident sintering of irradiated surface with following increase of the ignition delay time for up to 24%.Variation of the pulse energy in range 48-118 mJ(corresponding intensity up to 2.4 J·cm^-2)leads to certain variation of the increase of ignition delay.The strong pulsed overheating of the coal water slurry which does not initiate the fine atomization of the fuel generally makes its ignition longer.

A Chemical Kinetics Perspective on the High-Temperature Oxidation of Methane and Propane through Experiments and Kinetic Analysis

In the conversion of methane and propane under high temperature and pressure,the ignition delay time(IDT)is a key parameter to consider for designing an inherently safe process.In this study,the IDT characteristics of methane and propane(700–1000 K,10–20 bar)were studied experimentally and using kinetic modeling tools at stoichiometric fuel-tooxygen ratios.All the experiments were conducted through insentropic compression.The reliable experimental data were obtained by using the adiabatic core hypothesis,which can be used to generate and validate the detailed chemical kinetics model.The IDTs of methane and propane were recorded by a rapid compression machine(RCM)and compared to the predicted values obtained by the NUIGMech 3.0 mechanism.To test the applicability of NUIGMech 3.0 under different reaction conditions,the influence of temperature in the range of 700–1000 K(and the influence of pressure in the range of 10–20 bar)on the IDT was studied.The results showed that NUIGMech 3.0 could reasonably reproduce the experimentally determined IDT under the wide range of conditions studied.The constant volume chemical kinetics model was used to reveal the effect of temperature on the elementary reaction,and the negative temperature coefficient(NTC)behavior of propane was also observed at 20 bar.The experimental data can serve as a reference for the correction and application of kinetic data,as well as provide a theoretical basis for the safe conversion of low-carbon hydrocarbon chemicals.

Effect of plasma on combustion characteristics of boron

As it is very difficult to release boron energy completely, kinetic mechanism of boron is not clear, which leads to the lack of theoretical guidance for studying how to accelerate boron combustion. A new semi-empirical boron combustion model is built on the King combustion model, which contains a chemical reaction path; two new methods of plasma-assisted boron combustion based on kinetic and thermal effects respectively are built on the ZDPLASKIN zero-dimensional plasma model. A plasma-supporting system is constructed based on the planar flame, discharge characteristics and the spectral characteristics of plasma and boron combustion are analyzed. The results show that discharge power does not change the sorts of excited-particles, but which can change the concentration of excited-particles. Under this experimental condition,plasma kinetic effect will become the strongest at the discharge power of 40 W; when the discharge power is less than 40 W,plasma mainly has kinetic effect, otherwise plasma has thermal effect. Numerical simulation result based on plasma kinetic effect is consistent with the experimental result at the discharge power of 40 W, and boron ignition delay time is shortened by 53.8% at the discharge power of 40 W, which indicates that plasma accelerates boron combustion has reaction kinetic paths, while the ability to accelerate boron combustion based on thermal effect is limited.

Flame Morphology and Characteristic of Co-Firing Ammonia with Pulverized Coal on a Flat Flame Burner

Ammonia as a new green carbon free fuel co-combustion with coal can effectively reduce CO_(2)emission,but the research of flame morphology and characteristics of ammonia-coal co-combustion are not enough.In this work,we studied the co-combustion flame of NH_(3)and pulverized coal on flat flame burner under different oxygen mole fraction(X_(i,O_(2)))and NH_(3)co-firing energy ratios(E_(NH_(3))).We initially observed that the introduction of ammonia resulted in stratification within the ammonia-coal co-combustion flame,featuring a transparent flame at the root identified as the ammonia combustion zone.Due to challenges in visually observing the ignition of coal particles in the ammonia-coal co-combustion flame,we utilized Matlab software to analyze flame images across varying E_(NH_(3))and X_(i,O_(2)).The analysis indicates that,compared to pure coal combustion,the addition of ammonia advances the ignition delay time by 4.21 ms to 5.94 ms.As E_(NH_(3))increases,the ignition delay time initially decreases and then increases.Simultaneously,an increase in X_(i,O_(2))results in an earlier ignition delay time.The burn-off time and the flame divergence angle of pulverized coal demonstrated linear decreases and increases,respectively,with the growing ammonia ratio.The addition of ammonia facilitates the release of volatile matter from coal particles.However,in high-ammonia environments,oxygen consumption also impedes the surface reaction of coal particles.Finally,measurements of gas composition in the ammonia-coal flame flow field unveiled that the generated water-rich atmosphere intensified coal particle gasification,resulting in an elevated concentration of CO.Simultaneously,nitrogen-containing substances and coke produced during coal particle gasification underwent reduction reactions with NO_(x),leading to reduced NO_(x)emissions.

Analysis on ignition and extinction of n-heptane in homogeneous systems

To calculate ignition delay times, the governing equations about species and temperature, which are in a closed volume based on the theory of thermal explosion and in a continuously stirred flow reactor, are deducted. The method referred to steady state assumptions is based on the observation that due to very fast chemical processes in combustion problems many chemical species and reactions are in a quasi-steady state or partial equilibrium. When a species is assumed to be in the steady state, the corresponding differential equation can be replaced by an algebraic relation, which reduces the computational costs. The steady state solution of the reactor equations describes the three ignition temperature regimes and get “S-shaped curve”. The reduced simplified 4-step mechanism for n-heptane from 1011 elementary reactions leads with the steady state assumptions to linear differential equations, which is solved. The simulation results of the 4-step reduced mechanism for n-heptane are fitted well with the experiment data. At last, two important parameters are discussed thoroughly and the temperature perturbation is given. It reduces the computational efforts considerably without losing too much accuracy and further supplies numerical methods for turbulent combustion in the diesel engine.

An experimental and modeling study of n-hexadecane autoignition under low-to-intermediate temperatures

N-hexadecane is a potential candidate of diesel surrogate fuels and is also the largest linear alkane(n-alkanes)with known chemical kinetic models.The objective of this study is to investigate the autoignition characteristics of n-hexadecane in the lowto-intermediate temperature region and to validate the existing kinetic models.In this study,the ignition delay times(IDTs)of nhexadecane were measured using a heated rapid compression machine(RCM)at two pressures of 7 and 10 bar,and over equivalence ratios ranging from 0.5 to 1.3.Two-stage ignition characteristic and the negative temperature coefficient(NTC)behavior of total ignition delay time were experimentally captured.This study paid special attention to the influence of pressure,equivalence ratio,and oxygen content on the IDTs of n-hexadecane.It is observed that both the total IDTs and the first-stage IDTs decrease with the rise of those parameters.It is worth noting that the first-stage IDT is found to show a greater dependence on temperature but a weaker dependence on other parameters compared to the total IDT.The observed IDT dependence in the lowtemperature region(LTR)were quantitatively described by ignition delay time correlations.The newly measured IDTs were then validated against two kinetic models(LLNL and CRECK).Simulation results show that both models underpredict the first-stage IDT but generally capture the temperature dependence.The CRECK model well predicts the total IDTs of n-hexadecane while the LLNL model significantly underpredicts the total IDTs at most investigated conditions.To the best of our knowledge,this study is the first investigation on n-hexadecane autoignition under low-to-intermediate temperatures,which deepens the understanding of large n-alkane oxidation and contributes to the improvement of the existing kinetic models.

Auto-ignition of biomass synthesis gas in shock tube at elevated temperature and pressure

Ignition delay times of multi-component biomass synthesis gas （bio-syngas） diluted in argon were measured in a shock tube at elevated pressure （5, 10and 15 bar, 1 bar = 105 Pa）, wide temperature ranges （1,100-1,700 K） and various equivalence ratios （0.5, 1.0, 2.0）. Additionally, the effects of the variations of main constituents （H2：CO = 0.125-8） on ignition delays were investigated. The experimental results indicated that the ignition delay decreases as the pressure increases above certain temperature （around 1,200 K） and vice versa. The ignition delays were also found to rise as CO concentration increases, which is in good agreement with the literature. In addition, the ignition delays of bio-syngas were found increasing as the equivalence ratio rises. This behavior was primarily discussed in present work. Experimental results were also compared with numerical predictions of multiple chemical kinetic mechanisms and Li＇s mechanism was found having the best accuracy. The logarithmic ignition delays were found nonlinearly decrease with the H2 concentration under various conditions, and the effects of temperature, equivalence ratio and H2 concentration on the ignition delays are all remarkable. However, the effect of pressure is rela- tively smaller under current conditions. Sensitivity analysis and reaction pathway analysis of methane showed that R1 （H ＋O2= O -9 OH） is the most sensitive reaction promot- ing ignition and R13 （H ＋O2 （＋M） = HO2 （＋M））, R53（CH3＋H （＋M）= CH4 （＋M））, R54 （CH4＋H= CH3 ＋ H2） as well as R56 （CH4 ＋ OH = CH3 ＋ H2O） are key reactions prohibiting ignition under current experimental conditions. Among them, R53 （CH3 ＋ H （＋M） = CH4 （＋M））, R54 （CH4 ＋ H = CH3 ＋ H2） have the largest posi- tive sensitivities and the high contribution rate in rich mixture. The rate of production （ROP） of OH of R1 showed that OH ROP of R1 decreases sharply as the mixture turns rich. Therefore, the ignition delays become longer as the equiva- lence ratio increases.

Statistical characteristics of spray autoignition of transient kerosene jet in cross flow

To study statistical characteristics of the random spray autoignition,aviation kerosene was injected transiently into non-vitiated air crossflow in a flow reactor with optical accesses.The operating conditions were relevant to gas turbine combustor:the air crossflow pressure and temperature were in the range of 1.4-1.7 MPa and 830-947 K,respectively,and the jet-tocrossflow momentum flux ratios were 20,50 and 80.Statistical distributions of random ignition delay times with adequate convergence were estimated based on histograms.The dependences of the distributions on reactor pressure,temperature,and jet-to-crossflow momentum flux ratio were studied.The results show that the resulting distributions appear more concentrated with the increase of air temperature or jet-to-crossflow momentum flux ratio.And then the correlations for the mean and standard deviation of the ignition delay time sample data were developed based on the present results.Compared with the correlations of ignition delay time of homogeneous premixed gas-phase kerosene/air mixture reported in the literature,the results show a greater significance pressure dependence and lower temperature sensitivity of the ignition delay time of nonpremixed kerosene spray.

Implication of Sensitive Reactions to Ignition of Methyl Pentanoate:H-Abstraction Reactions by H and CH_(3) Radicals

Methyl pentanoate(MP)was identified as a potential candidate.To facilitate the application of MP with high efficiency in engines,a comprehensive understanding of combustion chemical kinetics of MP is necessary.In this work,the H-abstraction reactions from MP by H and CH_(3) radicals,critical in controlling the initial fuel consumption,are theoretically investigated at the DLPNO-CCSD(T)/CBS(T-Q)//M06-2X/cc-pVTZ level of theory.The multistructural torsional(MS-T)anharmonicity is characterized using the dual-level MS-T method;the HF/3-21G and M06-2X/cc-pVTZ methods are chosen as the low-and high-level methods,respectively.The conventional transition state theory(TST)is employed to calculate the high-pressure limit rate constants at 298-2000 K with the Eckart tunneling correction.Our calculations indicate that the hydrogen atoms of the methylene functional group are easier to be abstracted by H and CH_(3) radicals.The multistructural torsional anharmonicities of H-abstraction reactions MP+H/CH_(3) are significant within the temperature range investigated.The tunneling effects are more pronounced at low temperatures,and contribute considerably to the rate constants below 500 K.The model from the work of Diévart et al.is updated with our calculations,and the simulations of the updated model are in excellent agreement with the reported ignition delay time of MP/O2/Ar and MP/Air mixtures.The sensitivity analysis indicates that the H-abstraction reactions,MP+H-CH_(3)CH_(2)CHCH_(2)C(-O)OCH_(3)/CH_(3)CHCH_(2)CH_(2)C(-O)OCH_(3)+H2,are critical in controlling the initial fuel consumption and ignition delay time of MP.