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A predictive model of the turbulent burning velocity for planar and Bunsen flames over a wide range of conditions

Zhen Lu Yue Yang [email protected] State Key Laboratory for Turbulent and Complex Systems, College of Engineering, Peking University, Beijing 100871, China BIC-ESAT, Peking University, Beijing 100871, China CAPT, Peking University, Beijing 100871, China
Abstract

We propose a predictive model of the turbulent burning velocity sTs_{T} over a wide range of conditions. The model consists of sub models of the stretch factor and the turbulent flame area. The stretch factor characterizes the flame response of turbulence stretch and incorporates effects of detailed chemistry and transport with a lookup table of laminar counterflow flames. The flame area model captures the area growth based on Lagrangian statistics of propagating surfaces, and considers effects of turbulence length scales and fuel characteristics. The present model predicts sTs_{T} via an algebraic expression without free parameters. It is validated against 285 cases of the direct numerical simulation or experiment reported from various research groups on planar and Bunsen flames over a wide range of conditions, covering fuels from hydrogen to n-dodecane, pressures from 1 to 20 atm, lean and rich mixtures, turbulence intensity ratios from 0.35 to 110, and turbulence length ratios from 0.5 to 80. The comprehensive comparison shows that the proposed sTs_{T} model has an overall good agreement over the wide range of conditions, with the averaged modeling error of 25.3%. Furthermore, the model prediction involves the uncertainty quantification for model parameters and chemical kinetics to extend the model applicability.

keywords:
turbulent burning velocity , turbulent premixed flame , flame speed , predictive model

1 Introduction

The turbulent burning velocity (or the turbulent flame speed) sTs_{T} is one of the most important statistics for turbulent premixed combustion [1, 2, 3, 4]. It is an indicator of the reactant consumption rate or a measure of the flame propagation speed, closely related to the fuel efficiency, heat release rate, and flame dynamics. It is also used in various turbulent combustion models to close the nonlinear source term, as a crucial component in the modeling of turbulent premixed combustion. Among problems related to sTs_{T}, a predictive model with a small set of key characteristic parameters is of practical interest for industrial design and combustion modeling. However, extensive studies have shown that sTs_{T} depends on a variety of factors [1, 2, 3, 4], which poses an enormous challenge for developing a simple predictive model of sTs_{T}.

Various scaling laws and empirical models [5, 6, 7, 8, 9, 10, 11] have been proposed for sTs_{T} (also see review articles [2, 3]) based on data of the direct numerical simulation (DNS) and experiment. These algebraic models involve various flow parameters, dimensionless numbers, and model parameters for fitting the data. The major issue is that the model parameters are sensitive to flame configurations, flow conditions, and the definition of sTs_{T} [12], requiring ad hoc adjustment for different conditions. The lack of a theoretical framework leads to the failure of the fitted correlations in a wide range of conditions, including turbulence intensity, integral length scale, reactant species, equivalence ratio, pressure, etc.

Theoretical development of the sTs_{T} model is generally based on the flamelet concept [1] and the flame area estimation [13]. For turbulent premixed flames at high Reynolds numbers, Zimont [14] derived a model by combining the small-scale turbulence effect on enhancing turbulent transport and the large-scale turbulence effect on wrinkling the flame surface. The fractal theory was applied to estimate the flame area in turbulence and then to develop a variety of sTs_{T} models [15, 16, 17]. Another approach to model the flame area is via the GG-equation [18, 19]. Yakhot [20] derived a model based on the dynamic renormalization group and the GG-equation. Peters [1] obtained an algebraic expression through the balance of turbulent production, flame propagation, and scalar dissipation terms. These models characterize the turbulence effects on sTs_{T} through the flame area, but neglect the flame stretch, so they cannot predict fuel effects on sTs_{T}.

The flame stretch effect has been investigated numerically and experimentally [21, 22, 23, 24, 25, 26], and this effect on flamelet speed is represented by the stretch factor I0I_{0} [27]. Diffusionally neutral flames have I01I_{0}\approx 1 [21], while the thermal-diffusive effects cause I0I_{0} away from unity [22, 23, 24, 25] indicating a strong dependence of sTs_{T} on flame stretch. There are some efforts to incorporate the effects of detailed chemistry and transport in sTs_{T} modeling [27, 28, 29]. A library of strained laminar flame was built to calculate I0I_{0} [28], and then an empirical model of I0I_{0} with fitting experiment data was developed to reduce the use of pre-computed libraries [27]. Most existing models only treat either the flame area or the stretch effects on sTs_{T}. This limitation hinders a robust performance on the prediction of sTs_{T} over a wide range of conditions.

Recently, You and Yang [30] proposed a model of sTs_{T} from the Lagrangian perspective. This model predicts sTs_{T} for flames of several simple fuels at 1 atm, with universal turbulence-related model constants based on Lagrangian statistics of propagating surfaces [31, 32] in non-reacting homogeneous isotropic turbulence (HIT). Later Lu and Yang [25] investigated the lean hydrogen turbulent premixed flames at a range of pressures. They developed a model of the stretch factor I0I_{0} with flamelet libraries to characterize the strong flame stretch effect on sTs_{T} at high pressures. Combining the models of flame area and stretch factor yields a predictive model of sTs_{T}, and this model was validated with the DNS result. The model application is, however, restricted to a simple flame geometry, i.e., statistically planar flame propagation in HIT. Additionally, the ratio between the turbulence integral length and the flame thermal thickness is close to unity, and fuels are relatively simple such as hydrogen and methane in previous works [25, 30].

In the present study, we extend the Lagrangian-based modeling approach [25, 30] to develop a predictive sTs_{T} model for a wide range of conditions. Several new modeling ingredients are added into the existing model of sTs_{T}, including a scaling of turbulence length scales for the effects of turbulence diffusivity and an empirical model of a fuel-dependent coefficient for instabilities and fuel chemistry. This effort makes a crucial step towards a universal sTs_{T} model for various turbulent flames without free parameters. We then use 285 DNS/experimental cases to assess the model performance. The datasets from a number of research groups cover fuels from hydrogen to n-dodecane, pressure from 1 to 20 atm, lean and rich mixtures, and a wide range of turbulence parameters. Flame configurations include planar and Bunsen flames, in accordance with the same consumption-based concept for model development. In addition, it is inevitable to include empirical parameters in modeling of sTs_{T} due to the many factors influencing sTs_{T}. The inclusion of flame stretch effects with detailed chemistry and transport also introduces uncertainty through the chemical kinetic model. We quantify the model uncertainty with respect to the parameters and chemical kinetic model to extend the model applicability.

The rest of this paper is organized as follows. We present DNS/experimental cases of turbulent planar and Bunsen flames used for model development and assessment in Section 2, and develop the predictive model of sTs_{T} in Section 3. Section 4 discusses the uncertainty quantification on model predictions. Comprehensive comparisons of model predictions against DNS/experimental data of sTs_{T} are presented in Section 5. Conclusions are drawn in Section 6.

2 DNS and experimental cases

We collect a number of DNS and experimental datasets to develop and validate the model of sTs_{T} for planar and Bunsen flames over a wide range of conditions. Each dataset consists of a series of DNS/experimental cases for a fuel in one referenced paper. The cases in a dataset are under various conditions, e.g., the pressure pp, equivalence ratio ϕ\phi, unburnt temperature TuT_{u}, and turbulence intensity uu^{\prime} and integral length scale ltl_{t}. In particular, every case has a value of sTs_{T} measured via either DNS or experiment.

Table 1 lists the datasets employed in the present study, together with the ranges of pp, ϕ\phi, and TuT_{u}. These datasets include 285 DNS/experimental cases from 17 papers from worldwide research groups, and cover a wide range of conditions. The fuel species varies from the hydrogen to large hydrocarbon molecules, with the pressure up to 20 atm and the equivalence ratio from very lean to rich. Figure 1 plots the parameters of the 285 cases in the diagram of turbulent premixed combustion. Here, Re0=(u/sL0)(lt/δL0)\mathrm{Re}_{0}=\left(u^{\prime}/s_{L}^{0}\right)\left(l_{t}/\delta_{L}^{0}\right) is the turbulent Reynolds number, Ka=(u/sL0)32(δL0/lt)12\mathrm{Ka}=\left(u^{\prime}/s_{L}^{0}\right)^{\frac{3}{2}}\left(\delta_{L}^{0}/l_{t}\right)^{\frac{1}{2}} is the Karlovitz number, where sL0s_{L}^{0} and δL0\delta_{L}^{0} denote the laminar flame speed and thermal thickness of the unstrained one-dimensional laminar flame, respectively. The scattered data points indicate a broad distribution of case parameters, with u/sL0u^{\prime}/s_{L}^{0} from 0.35 to 110 and lt/δL0l_{t}/\delta_{L}^{0} from 0.5 to 80.

Table 1: DNS/experimental datasets used for model assessment of sTs_{T}.
Datatset Configuration Fuel pp (atm) ϕ\phi TuT_{u} (K)
1. Aspden et al., 2011 [33] planar H2 1 0.31, 0.4 298
2. Aspden et al., 2015 [34] planar H2 1 0.4 298
3. Lu and Yang, 2020 [25] planar H2 1-10 0.6 300
4. Aspden et al., 2016 [35] planar CH4 1 0.7 298
5. Aspden et al., 2017 [36] planar CH4 1 0.7 298
6. Wang et al., 2017 [37] planar CH4 20 0.5 810
7. Lapointe et al., 2015 [38] planar C7H16 1 0.9 298, 500, 800
8. Savard et al., 2017 [23] planar C8H18 1, 20 0.9 298
9. Aspden et al., 2017 [36] planar C12H26 1 0.7 298
10. Fragner et al., 2015 [39] Bunsen CH4 1-4 0.7-1.0 300
11. Muppala et al., 2005 [6] Bunsen CH4 1, 5, 10 0.9 298
12. Tamadonfar and Gülder, 2014 [40] Bunsen CH4 1 0.7-1.0 298
13. Tamadonfar and Gülder, 2015 [41] Bunsen CH4 1 0.7-1.35 298
14. Wable et al., 2017 [42] Bunsen CH4 1 0.75 298
15. Wang et al., 2015 [43] Bunsen CH4 5, 10 1.0 298
16. Zhang et al., 2018 [44] Bunsen CH4 1 0.89 298
17. Venkateswaran et al,. 2015 [45] Bunsen CO/H2 1, 5, 10 0.5-0.7 298
18. Zhang et al., 2018 [44] Bunsen CO/H2 1 0.5-0.7 298
19. Zhang et al., 2020 [46] Bunsen CH4/H2 1 0.69-0.91 298
20. Muppala et al., 2005 [6] Bunsen C2H4 5, 10 0.7 298
21. Tamadonfar and Gülder, 2015 [41] Bunsen C2H6 1 0.7-1.45 298
22. Zhang et al., 2018 [44] Bunsen C3H8 1 0.76 298
23. Tamadonfar and Gülder, 2015 [41] Bunsen C3H8 1 0.8-1.35 298
24. Muppala et al., 2005 [6] Bunsen C3H8 5 0.9 298
Refer to caption
Figure 1: Parameters of DNS/experimental cases for model assessment in the regime diagram of turbulent premixed combustion. Each data point corresponds to one case, with different symbols for fuel species and colors for pressures.

In all the selected datasets, sTs_{T} is computable based on the definition of the global consumption speed, which is an important criterion for our dataset selection. It is noted that there are several definitions for sTs_{T}, i.e., the global consumption speed, local consumption speed, and local displacement speed [3, 47], and which definition to be employed depends on the flame configuration and measurement method. Since the calculated value of sTs_{T} may vary with its definition [3], the comparison of sTs_{T} from the data and the model must be based on the same definition.

In general, there are two flame configurations for the datasets in Table 1. The configuration of DNS datasets is the statistically planar turbulent premixed flame propagating in HIT, which has been extensively studied for turbulence-flame interactions [48]. The consumption speed in the DNS is calculated by the integration of the fuel consumption rate over the entire computational domain as [47]

sT=1ρuAL(YF,bYF,u)Ωρω˙F𝑑V,s_{T}=\dfrac{1}{\rho_{u}A_{L}\left(Y_{\mathrm{F},b}-Y_{\mathrm{F},u}\right)}\int_{\Omega}\rho\dot{\omega}_{\mathrm{F}}dV, (1)

where ρu\rho_{u} is the density of unburnt mixture, ALA_{L} is the flame surface area of the laminar flame, YF,uY_{\mathrm{F},u} and YF,bY_{\mathrm{F},b} are the mass fractions of fuel species in unburnt and burnt mixtures, respectively, Ω\Omega denotes the computational domain, and ω˙F\dot{\omega}_{\mathrm{F}} is the reaction rate of the fuel species. In Table 1, all the DNS datasets are labeled by “planar”.

For the experimental cases, the global consumption speed

sT=m˙ρuAs_{T}=\dfrac{\dot{m}}{\rho_{u}A} (2)

is calculated by the ratio of the total mass flow rate m˙\dot{m} of reactants and the averaged flame area AA [3], where AA is calculated by an averaged progress variable c\langle c\rangle isocontour obtained with time-averaging of instantaneous flame images of radical signals. It is necessary that all of the reactants pass through the flame brush in the experiment to calculate sTs_{T} via Eq. (2). For Bunsen flames, the burner exit is enveloped by the flame brush, satisfying the requirement. A number of groups reported sTs_{T} over a wide range of conditions in turbulent Bunsen flames, and these datasets are labeled by “Bunsen” in Table 1. Although various values of c\langle c\rangle from 0.05 to 0.5 were used [5, 41, 42, 43], sTs_{T} data calculated with small c\langle c\rangle from 0.05 to 0.2 is employed in the present study in accordance with the turbulence parameters measured near the burner exit.

Moreover, there are several other flame geometries widely adopted for experimental measurements on sTs_{T}, such as V-shaped flames, counterflow flames, and spherical flames, but different definitions of sTs_{T} were employed in these experiments. In principle, the sTs_{T} model should be validated against data obtained with the same definition [3], so the model assessment with different sTs_{T} definitions is only briefly discussed in Section 5.5.

3 Model development

In the present modeling approach, we first loosely decouple the contributions of different processes to sTs_{T}, and model each process explicitly. Then, all the sub models are combined into a predictive model of sTs_{T} without free parameters.

Utilizing the consumption-based definition of sTs_{T} and the flamelet concept [27], the Damköhler hypothesis [13] suggests

sTsL0=I0ATAL\dfrac{s_{T}}{s_{L}^{0}}=I_{0}\dfrac{A_{T}}{A_{L}} (3)

where ATA_{T} denotes the turbulent flame area. The form of Eq. (3) implies that the turbulence influence on sTs_{T} is decomposed into two parts, the stretch factor due to the flame response under flow variations [27, 47], and the flame area ratio due to the strain-rate and curvature effects in turbulence [1, 3]. In the present model, I0I_{0} and AT/ALA_{T}/A_{L} in Eq. (3) are modeled separately, and the influence of the flame stretch on the flame area is considered via the local flame speed in the modeling of AT/ALA_{T}/A_{L}. Next, we introduce the sub models involved in Eq. (3) for predicting sTs_{T}.

3.1 Stretch factor

The flame stretch factor

I0=sLAsL0I_{0}=\dfrac{\langle s_{L}\rangle_{A}}{s_{L}^{0}} (4)

characterizes the effect of chemical kinetics and molecular transport on sTs_{T}, and it links the mean laminar flamelet consumption speed sLA\langle s_{L}\rangle_{A} to the unstretched laminar flame speed sL0s_{L}^{0}, where A\langle\cdot\rangle_{A} denotes the average over the flame surface. The model of I0I_{0} was proposed by Lu and Yang [25] and is improved in the present study on the modeling of turbulence stretch.

As the first-order approximation, strain rate effects are neglected in many models by simply setting I0=1I_{0}=1 and sLA=sL0\langle s_{L}\rangle_{A}=s_{L}^{0} in Eq. (4[2, 3]. On the other hand, I0I_{0} plays an important role on sTs_{T} in the cases with strong thermal-diffusive effects. For instance, the lean hydrogen/air mixture with ϕ=0.6\phi=0.6 and p=10atmp=10\;\mathrm{atm} has I03I_{0}\approx 3 in strong turbulence [25]. Comparing with the case at p=1p=1 atm, sTs_{T} of lean hydrogen flames raises apparently with pressure because of the flame stretch effects. Furthermore, the growth of I0I_{0} with the turbulence intensity suppresses the bending of sTs_{T} in strong turbulence.

In turbulent flames, I0I_{0} depends on the distribution of the curvature and strain rate over the local flamelet. The linear model of the laminar flame speed [47] and symmetric distribution of flame curvature [25, 38] suggest that effects of positive and negative flame curvatures tend to cancel out in strong turbulence, and the influence of the strain rate can be approximated with a presumed probability density function. Assuming the Dirac distribution for simplicity, the averaged consumption speed over the flame surface can be approximated as sLA=sL\langle s_{L}\rangle_{A}=s_{L} [47].

The thermal-diffusive effects alter sLs_{L} with respect to the stretch on flames. Asymptotic analysis [47] showed a simple relation sL/sL0=1MaKas_{L}/s_{L}^{0}=1-\mathrm{MaKa} for weak or moderate stretch, where Ma is the Markstein number. In order to investigate the stretch effects with detailed chemistry and molecular transport, the response of sLs_{L} to stretch in one-dimensional stretched flames, such as counterflow and cylindrical flames, can be employed as reference solutions [28, 49].

We model I0I_{0} using a lookup table \mathcal{F} formed by laminar flame data [25] to capture the effects of detailed fuel chemistry and transport. Laminar counterflow flames with two streams of the cold mixture and the corresponding equilibrium product are simulated to build the table \mathcal{F}. For each counterflow flame solution, the consumption speed is calculated to obtain the ratio sL/sL0s_{L}/s_{L}^{0}, and the strain rate ata_{t} is estimated by the velocity gradient at the location with the maximum fuel consumption rate. Using a series of counterflow simulations from weak stretched flames to extinction, a table of sL/sL0s_{L}/s_{L}^{0} versus KaLe\mathrm{KaLe} is obtained, where Le is the effective Lewis number of mixture, and the Karlovitz number of the laminar flame is calculated as

Ka=atδL0sL0.\mathrm{Ka}=a_{t}\frac{\delta_{L}^{0}}{s_{L}^{0}}. (5)

For a certain condition, the stretch factor of the turbulent premixed flame is retrieved from the table as

I0(K)=sL(K)sL0=(Kpp0).I_{0}\left(K\right)=\dfrac{s_{L}\left(K\right)}{s_{L}^{0}}=\mathcal{F}\left(K\sqrt{\dfrac{p}{p_{0}}}\right). (6)

Here,

K=0.157(usL0)2Re12K=0.157\left(\dfrac{u^{\prime}}{s_{L}^{0}}\right)^{2}\mathrm{Re}^{-\frac{1}{2}} (7)

is the model proposed by Bradley et al[50, 51] for the turbulence stretch effect on flames, and p0=1atmp_{0}=1\;\mathrm{atm} is a reference value for normalization, where Re=ult/ν\textrm{Re}=u^{\prime}l_{t}/\nu denotes the Reynolds number. We find that this model is more generalized than that we used in Eq. (7) in Ref. [25].

By incorporating the effects of detailed chemistry and transport, the I0I_{0} model in Eq. (6) is able to capture the response of sLs_{L} to stretch for various reactants. In particular, a preliminary application of the modeled I0I_{0} on lean hydrogen flames demonstrated that this type of model significantly improves the predication of sTs_{T} from the simple model of I0=1I_{0}=1 at a broad range of pressure conditions [25].

3.2 Turbulent flame area

To estimate the flame surface ratio AT/ALA_{T}/A_{L} in Eq. (3), we apply the modeling approach developed by You and Yang [30] based on theoretical analysis on Lagrangian statistics of propagating surfaces [31, 32]. The essence of this modeling framework is summarized below.

In Eq. (3), AT/ALA_{T}/A_{L} is approximated by the area ratio A(t)/ALA(t^{*})/A_{L} of global propagating surfaces at a truncation time tt^{*}, which signals that the characteristic curvature of initially planar propagating surfaces has reached the statistically stationary state in non-reacting HIT. This state resembles the statistical equilibrium state in combustion between the flame area growth due to turbulent straining and the area reduction due to flame self-propagation.

In the modeling of flame wrinkling in turbulence, the temporal growth of

A(t)AL=exp(ξt)\dfrac{A(t^{*})}{A_{L}}=\exp(\xi t^{*}) (8)

is approximated by an exponential function, where the constant growth rate

ξ=𝒜+sL00I02\xi=\mathcal{A}+\mathcal{B}s_{L0}^{0}I_{0}^{2} (9)

is approximated by a linear model in terms of I0I_{0} and the dimensionless laminar flame speed sL00=sL0/sL,refs_{L0}^{0}=s_{L}^{0}/s_{L,\textrm{ref}} normalized by a reference value sL,ref=1s_{L,\textrm{ref}}=1 m/s. The constants 𝒜=0.317\mathcal{A}=0.317 and =0.033\mathcal{B}=0.033 are determined by fitting DNS data for Lagrangian statistics of propagating surfaces in non-reacting HIT.

Accounting for tt^{*} at limiting conditions of very weak (u/sL00u^{\prime}/s_{L}^{0}\rightarrow 0) and very strong (u/sL0u^{\prime}/s_{L}^{0}\rightarrow\infty) turbulence, theoretical analysis and data fit of Lagrangian statistics of propagating surfaces yield

t=T[1exp(𝒞Re1/4ξTusL0I0)],t^{*}=T_{\infty}^{*}\left[1-\exp\left(-\dfrac{\mathcal{C}\mathrm{Re}^{-1/4}}{\xi T_{\infty}^{*}}\dfrac{u^{\prime}}{s_{L}^{0}I_{0}}\right)\right], (10)

where T=5.5T_{\infty}^{*}=5.5 is a universal truncation time describing the stationary state of material surfaces. Substituting Eqs. (9) and (10) into Eq. (8) yields

ATAL=exp{T(𝒜+sL00I02)[1exp(𝒞Re1/4T(𝒜+sL00I02)usL0I0)]},\dfrac{A_{T}}{A_{L}}=\exp\left\{T_{\infty}^{*}\left(\mathcal{A}+\mathcal{B}s_{L0}^{0}I_{0}^{2}\right)\left[1\!-\!\exp\left(-\dfrac{\mathcal{C}\,\mathrm{Re}^{-1/4}}{T_{\infty}^{*}\left(\mathcal{A}+\mathcal{B}s_{L0}^{0}I_{0}^{2}\right)}\dfrac{u^{\prime}}{s_{L}^{0}I_{0}}\right)\right]\right\}, (11)

where turbulence related constants 𝒜\mathcal{A}, \mathcal{B}, and TT_{\infty}^{*} are universal, and 𝒞\mathcal{C} is a fuel-dependent coefficient which will be discussed later.

The flame area model in Eq. (11) captures the dependence of ATA_{T} on uu^{\prime} in very weak and strong turbulence [25, 30]. As u0u^{\prime}\rightarrow 0, the Taylor expansion of Eq. (11) predicts a linear growth of ATA_{T} with uu^{\prime}. As uu^{\prime}\rightarrow\infty, the modeled ATA_{T} reaches an asymptotic state, showing the bending phenomenon of sTs_{T} with I01I_{0}\approx 1. At p=1p=1 atm, the validation with several DNS datasets showed that the model in Eq. (11) captures the variation of sTs_{T} with uu^{\prime}, outperforming previous models [30].

3.3 Turbulence length scales

It is well recognized that sTs_{T} has a dependence on length scales for turbulent premixed flames in the thin reaction zone [26, 42, 52], but this dependence is only implicitly characterized by the Reynolds number in Eq. (11). In this work, we improve the area ratio model Eq. (11) by introducing a scaling of the length scales and keeping the merit of Eq. (11) at the two turbulence limits.

In small-scale turbulence, Damköhler argued that turbulence affects scalar mixing only via turbulent transport. In analogy to the scaling relation sL0Ds_{L}^{0}\sim\sqrt{D} of the laminar burning velocity and the molecular diffusivity DD [47], the turbulent burning velocity is assumed to be proportional to the square root of turbulent diffusivity DTultD_{T}\sim u^{\prime}l_{t} as

sTsL0DTDultsL0δL0.\dfrac{s_{T}}{s_{L}^{0}}\sim\sqrt{\dfrac{D_{T}}{D}}\sim\sqrt{\dfrac{u^{\prime}l_{t}}{s_{L}^{0}\delta_{L}^{0}}}. (12)

To have a dependence on lt/δL0l_{t}/\delta_{L}^{0} as u/sL00u^{\prime}/s_{L}^{0}\rightarrow 0 in very weak turbulence, Eq. (10) is modified as

t=T{1exp[𝒞Re1/4ξTusL0I0(ltδL0)1/2]},t^{*}=T_{\infty}^{*}\left\{1-\exp\left[-\dfrac{\mathcal{C}\mathrm{Re}^{-1/4}}{\xi T_{\infty}^{*}}\dfrac{u^{\prime}}{s_{L}^{0}I_{0}}\left(\dfrac{l_{t}}{\delta_{L}^{0}}\right)^{1/2}\right]\right\}, (13)

and then the Taylor expansion of Eq. (8) for u0u^{\prime}\rightarrow 0 becomes

ATAL=1+𝒞Re1/4(ltδL0)1/2usL0I0=1+𝒞ReF1/4Da1/4usL0I0,\dfrac{A_{T}}{A_{L}}=1+\mathcal{C}\mathrm{Re}^{-1/4}\left(\dfrac{l_{t}}{\delta_{L}^{0}}\right)^{1/2}\dfrac{u^{\prime}}{s_{L}^{0}I_{0}}=1+\mathcal{C}\mathrm{Re}^{-1/4}_{F}\mathrm{Da}^{1/4}\dfrac{u^{\prime}}{s_{L}^{0}I_{0}}, (14)

where ReF=sL0δL0/ν\mathrm{Re}_{F}=s_{L}^{0}\delta_{L}^{0}/\nu is the flame Reynolds number with the kinematic viscosity ν\nu, Da=(lt/δL0)(sL0/u)\mathrm{Da}=\left(l_{t}/\delta_{L}^{0}\right)\left(s_{L}^{0}/u^{\prime}\right) is the Damköhler number. Equation (14) has the same scaling sTDa1/4us_{T}\sim\mathrm{Da}^{1/4}u^{\prime} in the Zimont model [14]. As u/sL0u^{\prime}/s_{L}^{0}\rightarrow\infty in very strong turbulence, Eq. (11) becomes AT/AL=exp(ξT)A_{T}/A_{L}=\exp(\xi T_{\infty}^{*}) and it is a constant for constant I0I_{0}. To match the scaling in Eq. (12), we propose

ATAL=exp(ξT)(ltδL0)1/2=exp[ξT+12ln(ltδL0)].\dfrac{A_{T}}{A_{L}}=\exp\left(\xi T_{\infty}^{*}\right)\left(\dfrac{l_{t}}{\delta_{L}^{0}}\right)^{1/2}=\exp\left[\xi T_{\infty}^{*}+\dfrac{1}{2}\ln\left(\dfrac{l_{t}}{\delta_{L}^{0}}\right)\right]. (15)

Combining the corrections in Eqs. (13) and (15), Eq. (11) is improved by considering the scaling with length scales as

ATAL=exp{[T(𝒜+sL00I02)+12ln(ltδL0)][1exp(𝒞Re1/4(lt/δL0)1/2T(𝒜+sL00I02)usL0I0)]}.\dfrac{A_{T}}{A_{L}}=\exp\left\{\!\!\left[T_{\infty}^{*}\!\left(\mathcal{A}\!+\!\mathcal{B}s_{L0}^{0}I_{0}^{2}\right)\!+\!{\dfrac{1}{2}\ln\left(\dfrac{l_{t}}{\delta_{L}^{0}}\right)}\right]\!\!\left[\!1\!-\!\exp\left(-\dfrac{\mathcal{C}\,\mathrm{Re}^{-1/4}\left(l_{t}/\delta_{L}^{0}\right)^{1/2}}{T_{\infty}^{*}\left(\mathcal{A}\!+\!\mathcal{B}s_{L0}^{0}I_{0}^{2}\right)}\dfrac{u^{\prime}}{s_{L}^{0}I_{0}}\right)\!\right]\!\!\right\}. (16)

We remark that the Taylor expansion of Eq. (16) in very weak turbulence is not exactly the same as Eq. (14) due to the factor of ln(lt/δL0)/2\ln(l_{t}/\delta_{L}^{0})/2 introduced for strong turbulence in Eq. (15), whereas the scaling sTDa1/4us_{T}\sim\mathrm{Da}^{1/4}u^{\prime} in Eq. (14) is kept. In addition, Eq. (16) leads to a questionable prediction AT/AL<1A_{T}/A_{L}<1 at the limit lt/δL00l_{t}/\delta_{L}^{0}\rightarrow 0, but this modeling defect only happens as lt/δL0<exp(2ξT)=0.03l_{t}/\delta_{L}^{0}<\exp(-2\xi T_{\infty}^{*})=0.03. Regarding to the length scale lt/δL0O(1)l_{t}/\delta_{L}^{0}\geq O(1) in practical cases in Fig. 1, this shortcoming can be neglected for most applications.

We illustrate the importance of the length scale modeling in AT/ALA_{T}/A_{L} using three sets of DNS of planar flames [53]. It is noted that these DNS cases based on the progress variable are not included in Table 1 and Fig. 1. We approximate I0=1I_{0}=1 for Le =1=1 for this DNS, and then Eq. (3) is simplified to sT/sL0=AT/ALs_{T}/s_{L}^{0}=A_{T}/A_{L}. The cases are set to have the gas expansion ρu/ρb=6\rho_{u}/\rho_{b}=6, where ρb\rho_{b} is the density of the burnt gas. By adjusting the one-step chemistry coefficient, sL0s_{L}^{0} and δL0\delta_{L}^{0} in these cases are varied, as listed in Table 2.

Table 2: DNS parameters in Ref. [53].
Group ltl_{t} (cm) δL0\delta_{L}^{0} (cm) sL0s_{L}^{0} (cm/s) lt/δL0l_{t}/\delta_{L}^{0}
R 0.65 0.22 0.300 2.955
T 0.65 0.40 0.163 1.625
L 0.34 0.22 0.300 1.545

Figure 2 compares the predictions of sTs_{T} from the present model Eq. (16) with the length scale effects and from the previous model Eq. (11), where 𝒞=0.83\mathcal{C}=0.83 is further modeled by Eq. (17) with Le =1=1 and I0=1I_{0}=1. In groups R and L of this DNS series, the laminar flame parameters are the same, while lt/δL0=2.955l_{t}/\delta_{L}^{0}=2.955 and 1.545 are different. We find that the model prediction from Eq. (16) (solid lines) agrees well with the DNS results (symbols), showing the growth of sT/sL0s_{T}/s_{L}^{0} with lt/δL0l_{t}/\delta_{L}^{0}. By contrast, the model in Eq. (11) (dash-dotted lines) fails to predict different sT/sL0s_{T}/s_{L}^{0} with the length scale effect in these groups. In groups T and L, the laminar flame parameters are different and length scale ratios are close. Additionally, since sL0s_{L}^{0} is small in these groups, the contribution from ξ\xi in Eq. (9) is negligible. Thus, the model predictions from Eq. (16) are close for these two groups.

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Figure 2: Comparison of sTs_{T} calculated from the DNS [53] (symbols), the model Eq. (16) with length scale effects (solid lines), and the model Eq. (11) without length scale effects (dash-dotted lines).

3.4 Fuel-dependent coefficient

In Eq. (16), the model coefficient 𝒞\mathcal{C} characterizes the fuel effect on the growth of ATA_{T} and sTs_{T} in weak turbulence with u/sL0=O(1)u^{\prime}/s_{L}^{0}=O(1). Since the hydrodynamic and thermal-diffusive instabilities drive the growth of ATA_{T} in weak turbulence [54], unstable flames with Le << 1 have large 𝒞\mathcal{C}, while stable flames with Le >1>1 have small 𝒞\mathcal{C}. One way to determine 𝒞\mathcal{C} is from one or a few available DNS or experimental data points of sTs_{T} in weak turbulence. Alternatively, the constant value 𝒞=2.0\mathcal{C}=2.0 is suggested for hydrogen mixtures, and 𝒞=1.0\mathcal{C}=1.0 is recommended for other fuels such as methane [30].

Towards a universal predictive model of sTs_{T}, we reduce the degree of freedom on the determination of 𝒞\mathcal{C} in the present work. First, we decompose 𝒞=𝒞0I0\mathcal{C}=\mathcal{C}_{0}I^{\prime}_{0}, where I0=I0(K=1)I^{\prime}_{0}=I_{0}(K=1) is obtained from stretch factor table \mathcal{F}, and 𝒞0\mathcal{C}_{0} only depends on the mixture composition. Figure 3 shows the fit of 𝒞0\mathcal{C}_{0} from the DNS and experimental cases listed in Table 1 against the Lewis number of mixtures, where 𝒞0\mathcal{C}_{0} is calculated using the nonlinear least square fit [55] for each case. The size of each symbol in Fig. 3 is proportional to the number of data points in the corresponding dataset. Note there is an apparent trend that 𝒞0\mathcal{C}_{0} decreases with the increase of Le, though the data points are very scattered.

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Figure 3: Fit of 𝒞0\mathcal{C}_{0} in Eq. (17) using the DNS/experimental cases listed in Table 1. Each marker represents one set of cases, and the marker size is proportional to the number of cases in the dataset.

From the data fit of 𝒞0\mathcal{C}_{0} in Fig. 3, we propose an empirical model

𝒞0=1ρb/ρuLe\mathcal{C}_{0}=\dfrac{1-\rho_{b}/\rho_{u}}{\mathrm{Le}} (17)

for various mixtures. This model implies stronger hydrodynamic and thermal-diffusive instabilities at smaller ρb/ρu\rho_{b}/\rho_{u} and Le, respectively, and predicts large 𝒞0\mathcal{C}_{0} for unstable cases. We remark that the severe scattering points of 𝒞0\mathcal{C}_{0} in Fig. 3 suggest that 𝒞0\mathcal{C}_{0} may depend on multiple parameters rather than a simple function in Eq. (17), so the data-driven methods can be used to fit 𝒞0\mathcal{C}_{0} in the future work.

3.5 Predictive model of sTs_{T}

Substituting Eqs. (6) and (16) with all the model constants into Eq. (3), we have a predictive model of the turbulent burning velocity

sTsL0=exp{[(1.742+0.182sL002)+12ln(ltδL0)][1exp([1ρbρu]Le1Re14[ltδL0]12(1.742+0.182sL002)usL0)]}.\dfrac{s_{T}}{s_{L}^{0}}\!=\!\mathcal{F}\exp\!\left\{\!\!\left[\!\left(1.742\!+\!0.182s_{L0}^{0}\mathcal{F}^{2}\right)\!+\!{\dfrac{1}{2}\ln\left(\!\dfrac{l_{t}}{\delta_{L}^{0}}\!\right)}\!\right]\!\!\!\left[\!1\!-\!\exp\left(\!\!-\dfrac{\left[1-\dfrac{\rho_{b}}{\rho_{u}}\right]\mathrm{Le}^{-1}\mathcal{F}^{\prime}\,\mathrm{Re}^{-\frac{1}{4}}\left[\dfrac{l_{t}}{\delta_{L}^{0}}\right]^{\frac{1}{2}}}{\left(1.742\!+\!0.182s_{L0}^{0}\mathcal{F}^{2}\right)\mathcal{F}}\dfrac{u^{\prime}}{s_{L}^{0}}\!\!\right)\!\right]\!\!\right\}. (18)

In Eq. (18), the model constants related to turbulence are universal, and the fuel-dependent parameters are obtained by the lookup table from a separate laminar flame calculation or the fit of DNS and experimental data in the literature. Therefore, the model Eq. (18) has no free parameters.

From the algebraic model in Eq. (18), sTs_{T} is obtained from a given set of reactant and flow parameters. Specifically, the required inputs for sTs_{T} predictions are the reactant species, equivalence ratio ϕ\phi, unburnt temperature TuT_{u}, pressure pp, turbulence intensity uu^{\prime}, and integral length ltl_{t}. Moreover, the free propagation of laminar premixed flames and a series of counterflow flames to extinction are calculated to obtain the laminar flame parameters, including laminar flame speed sL0s_{L}^{0}, flame thermal thickness δL0\delta_{L}^{0}, stretch factor table \mathcal{F}, and the Lewis number Le. Finally, sT/sL0s_{T}/s_{L}^{0} is calculated by substituting uu^{\prime} and ltl_{t} into Eq. (18). The above procedure has been implemented by a modularized code available at https://github.com/YYgroup/STmodel.

4 Uncertainty quantification

The model in Eq. (18) gives an explicit and deterministic prediction of sTs_{T} without free parameters, but this model and even the DNS/experimental results of sTs_{T} are inevitably suffered by various uncertainties. The possible uncertainties in the modeling come from model parameters, chemical kinetics, input data, etc. Therefore, the uncertainty of model prediction should be quantified from the various sources [56, 57], which is an essential supplement to a single deterministic model calculation from Eq. (18).

4.1 Uncertainty from model parameters

As mentioned in Section 3, model parameters 𝒜\mathcal{A}, \mathcal{B}, and TT_{\infty}^{*} are fitted from DNS data of nonreacting HIT [30], the fuel-dependent coefficient 𝒞0\mathcal{C}_{0} is calculated by an empirical expression fitted from a number of combustion DNS/experimental cases. The uncertainty in the fits causes the uncertainty of the model parameters.

As an illustrative example, Fig. 4 shows the uncertainty in the modeling of ξ\xi in Eq. (9). The uncertainty is obtained via the Bayesian linear regression [56, 58] from Lagrangian statistics of propagating surfaces in nonreacting HIT with constant sL0s_{L0} and I0=1I_{0}=1. In this uncertainty quantification of model predictions, samples on 𝒜\mathcal{A} and \mathcal{B} are generated with the Markov chain Monte–Carlo method [56, 58]. In Fig. 4, the solid line represents Eq. (9), and the dark and light shades denote the 68% (±σ\pm\sigma) and 95% (±2σ\pm 2\sigma) confidence intervals on the ξ\xi model, where σ\sigma denotes the standard deviation of model predictions of ξ\xi . We observe that the fit of turbulence statistics can lead to a range of possible parameter values.

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Figure 4: Uncertainty quantification in the modeling of ξ\xi in Eq. (9). Dark and light shades denote one and two standard deviations for the uncertainty range, respectively.

Similar to 𝒜\mathcal{A} and \mathcal{B}, other model parameters in Eq. (18) are associated with uncertainties. In particular, the fit of 𝒞0\mathcal{C}_{0} involves a large uncertainty regarding the severe scatter of data points shown in Fig. 3. In subsequential validations, the model parameters 𝒞0\mathcal{C}_{0} and TT_{\infty} are presumed to satisfy the independent normal distribution 𝒩(μ,σ)\mathcal{N}(\mu,\sigma) with the mean μ\mu and the standard deviation σ\sigma, and the Monte–Carlo method is applied to generate samples for these two parameters. Table 3 lists the uncertainty level σ/μ\sigma/\mu for the model parameters in Eq. (18), which is specified based on sample statistics from DNS datasets. The model prediction of sTs_{T} is calculated for each sample, and then the uncertainty is calculated from the statistics of sTs_{T}.

Table 3: Setting of the uncertainty level for model parameters.
Parameter μ\mu σ/μ\sigma/\mu
𝒜\mathcal{A} 0.317 0.01
\mathcal{B} 0.033 0.17
TT_{\infty}^{*} 5.5 0.10
𝒞0\mathcal{C}_{0} (1ρb/ρu1-\rho_{b}/\rho_{u})/Le 0.15

4.2 Uncertainty from chemical kinetics

The uncertainty in chemical kinetic models is typically associated to the reaction rate coefficient kk [59]. It propagates to the model prediction of sTs_{T} via sL0s_{L}^{0}, δL0\delta_{L}^{0}, and I0I_{0} that characterizes effects of detailed chemical kinetics and molecular transport in Eq. (18). In our implementation, one-dimensional freely propagating flames and counterflow flames are calculated to obtain sL0s_{L}^{0}, δL0\delta_{L}^{0}, and I0I_{0}. Consequently, the uncertainty of chemical kinetic models firstly propagates to the result of laminar flames.

In the uncertainty quantification of chemical kinetic models [59], the reaction rate coefficient kik_{i} of the ii-th reaction is normalized into a factorial variable [60, 61]

xi=lnki/ki,0lnfi,x_{i}=\dfrac{\ln k_{i}/k_{i,0}}{\ln f_{i}}, (19)

where ki,0k_{i,0} is the nominal value of kik_{i}, and fif_{i} is the uncertainty factor of the ii-th reaction. It is assumed that xix_{i} of all reaction coefficients satisfies the independent normal distribution 𝒩(μ=0,σ=1)\mathcal{N}(\mu=0,\sigma=1).

We conducted chemical kinetic uncertainty quantification for the cases of hydrogen and methane flames with the FFCM-1 mechanism [62]. The uncertainty factors fif_{i} for kinetic rates are taken from the FFCM-1 model [62, 63]. The laminar flame parameters sL0s_{L}^{0}, δL0\delta_{L}^{0}, and I0I_{0} for each sample are calculated with the Monte–Carlo sampling [64] of xix_{i}, and are then used in Eq. (18) to propagate the chemical kinetics uncertainty to the sTs_{T} prediction. Uncertainties of I0I_{0} for two cases in Refs. [25, 44] are shown in Fig. 5 for example. We observe that the uncertainty range depends on many factors such as the fuel, equivalence ratio, and pressure. In general, the flame speed exhibits large sensitivity on reaction rate coefficients at high pressures and near extinction conditions, so the uncertainty range increases with pressure and Ka. For the hydrogen cases, the large chemical uncertainties of I0I_{0}, sL0s_{L}^{0}, and δL0\delta_{L}^{0} lead to 95% confidence intervals larger than 10 times of the predicted sTs_{T}, so it is not presented in the further model assessment for clarity. By contrast, the uncertainty range for the methane flames is relatively small, and it is similar for other methane cases.

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Figure 5: Uncertainty ranges for I0I_{0} of (a) methane flames [44] and (b) hydrogen flames [25]. Dark and light shades denote one and two standard deviations (σ\sigma) for the uncertainty range, respectively.

5 Model assessment

We validate the model of sTs_{T} in Eq. (18) using the DNS and experimental datasets listed in Table 1. The model predictions and the DNS/experimental results are first compared for each dataset, and the comparisons are categorized into different fuel types. Then, an overall model performance is assessed considering all the datasets.

In the implementation of the model, a separate simulation of the laminar counterflow flame is carried out for each case with the corresponding case conditions to obtain the stretch factor table \mathcal{F}. One-dimensional free flame simulations are conduced to obtain sL0s_{L}^{0} and δL0\delta_{L}^{0}. For each DNS case, the same chemical mechanism in the original DNS is applied for the calculation. For experimental cases, the FFCM-1 mechanism [62] is applied for methane related cases, the Davis mechanism [65] is used for syngas cases, the UCSD mechanism [66] is employed for ethane, ethylene, and propane cases. When the uncertainty range is presented in following figures, grey shades denote the uncertainty ranges due to the model parameter uncertainties discussed in Section 4.1. Dark and light grey shades represent one and two standard deviations, corresponding to 68 and 95 percentage of confidence intervals, respectively.

5.1 Hydrogen

Hydrogen is a promising fuel for clean combustion applications without carbon emission. The lean hydrogen flame at a negative Markstein number is thermal-diffusive unstable, and it has I0>1I_{0}>1 growing with pressure, so its turbulent burning velocity depends on both I0I_{0} and AT/ALA_{T}/A_{L} in Eq. (3). In particular, the growth of I0I_{0} due to the turbulence stretch on flames can significantly enhance sTs_{T} at high pressures [25].

Aspden et al[33, 34, 35, 36] conducted a series of DNS on statistically planar turbulent premixed flames with various fuels at a wide range of turbulence intensities and corresponding Karlovitz numbers. For the lean hydrogen flames, sTs_{T} at different equivalence ratios and length scales was reported. Figure 6 compares the model predictions (lines) and DNS results (symbols) of sTs_{T}. The DNS cases in Fig. 6a have two equivalence ratios ϕ=0.31\phi=0.31 and ϕ=0.4\phi=0.4 and the same length scale ratio lt/δL0=0.5l_{t}/\delta_{L}^{0}=0.5 [33] with the GRIMech 2.11 [67], and the cases in Fig. 6b have ϕ=0.4\phi=0.4 with a larger lt/δL0=0.66l_{t}/\delta_{L}^{0}=0.66 [36] with the Li mechanism [68].

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Figure 6: Comparisons of sTs_{T} obtained from the DNS (symbols with error bars for one standard deviation) and the proposed model Eq. (18) (lines) for lean hydrogen flames at p=1p=1 atm. (a) Cases [33] with ϕ=0.31\phi=0.31 and 0.4, and lt/δL0=0.5l_{t}/\delta_{L}^{0}=0.5; (b) Cases [36] with ϕ=0.4\phi=0.4 and lt/δL0=0.66l_{t}/\delta_{L}^{0}=0.66. Dark and light shades denote one and two standard deviations for the model uncertainty range, respectively. Only the shades for one standard deviation are presented in (a) for clarity.

As shown in Fig. 6a, the turbulent burning velocity grows almost linearly with the turbulence intensity for the very lean case with ϕ=0.31\phi=0.31 (blue squares), even at a very large u/sL0u^{\prime}/s_{L}^{0} up to 100. By contrast, the variation of sTs_{T} with uu^{\prime} shows a typical bending phenomenon for ϕ=0.4\phi=0.4 (red circles), where sTs_{T} stops growing and then decays with uu^{\prime} in strong turbulence. The present model (solid lines) well captures the different trends for the two equivalence ratios, which is contributed by the variation of I0I_{0} in Eq. (18) with laminar flame parameters. Figure 6b validates the model for a larger lt/δL0=0.66l_{t}/\delta_{L}^{0}=0.66 [36]. With the length scale effects incorporated in the modeling of ATA_{T} in Eq. (16), our model predicts the difference of sTs_{T} due to different turbulence length scales. Furthermore, the uncertainty range of model predictions in Fig. 6 basically covers the deviation of sTs_{T} in DNS results.

Lu and Yang [25] investigated the pressure effects on the model prediction sTs_{T} for lean hydrogen premixed flames. In the present work, the model of sTs_{T} is further improved with the length scale effects in Eq. (16) and a universal model of 𝒞0\mathcal{C}_{0} for different fuels in Eq. (17). Figure 7 compares the model predictions (solid lines) and DNS results (symbols) of sTs_{T} at four pressures from 1 to 10 atm. The present model keeps the good performance [25] on predicting sTs_{T} in a broad range of pressure conditions.

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Figure 7: Comparisons of sTs_{T} obtained from the DNS [25] (symbols with error bars for one standard deviation) and the proposed model Eq. (18) (lines) for lean hydrogen flames at various pressures and lt/δL0=1l_{t}/\delta_{L}^{0}=1.

5.2 Methane

Methane is the largest component of natural gas, which is one of the major energy sources. The methane/air mixture has Le close to 1, resulting in I01I_{0}\approx 1. Hence, the turbulent burning velocity is mainly controlled by the flame area ratio in Eq. (3).

In Fig. 8, the model predictions of sTs_{T} (solid lines) are assessed by the DNS results (symbols) of lean methane premixed flames with ϕ=0.7\phi=0.7, p=1p=1 atm, and different length ratios lt/δL0=4l_{t}/\delta_{L}^{0}=4 and lt/δL0=1l_{t}/\delta_{L}^{0}=1 from Aspden et al[35, 36]. The DNS results indicate that the turbulent burning velocity increases with lt/sL0l_{t}/s_{L}^{0}. In general, sT/sL0s_{T}/s_{L}^{0} with lt/δL0=4l_{t}/\delta_{L}^{0}=4 is about two times of that with lt/δL0=1l_{t}/\delta_{L}^{0}=1, consistent with the scaling in Eq. (12). This difference is well captured by the model by considering the length scale effect in Eq. (16).

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Figure 8: Comparisons of sTs_{T} obtained from the DNS (symbols with error bars for one standard deviation) and the proposed model Eq. (18) (lines) for methane flames at p=1p=1 atm and ϕ=0.7\phi=0.7. (a) Cases [35] with lt/δL0=4l_{t}/\delta_{L}^{0}=4; (b) cases [36] with lt/δL0=1l_{t}/\delta_{L}^{0}=1. Dark and light shades denote one and two standard deviations for the model uncertainty range, respectively.

In a series of experiments with a Bunsen burner, Wang and co-workers [43, 44, 46] measured sTs_{T} of turbulent premixed flames with various fuels at elevated pressures. The present model predicts a linear growth of sTs_{T} at small and moderate turbulence intensities in Fig. 9, generally agreeing with the experimental result. For the methane flames, the pressure only has a minor influence on I0I_{0}, so the model predictions of sT/sL0s_{T}/s_{L}^{0} are similar at different pressures. Additionally, Fig. 9b presents modeling uncertainties from chemical kinetics (purple shade), model parameters (grey shade), and both ones (light blue shade). For this case, the uncertainty from model parameters plays a dominant role. Note that the chemistry uncertainty can be more significant for lean H2/air mixtures and high pressures [62], as indicated in Fig. 5.

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Figure 9: Comparisons of sTs_{T} obtained from the experiment (symbols) and the proposed model Eq. (18) (lines) for methane flames at different pressures. (a) Cases [43] with ϕ=1.0\phi=1.0, p=0.5p=0.5, and 1.0 MPa. Dark and light shades denote one and two standard deviations for the model uncertainty range, respectively. (b) Cases [44] with ϕ=0.89\phi=0.89 and p=0.1p=0.1 MPa. Purple, grey, and blue shades are the 95% confidence intervals (±2σ\pm 2\sigma) considering the uncertainties of chemical kinetics, model parameters, and both ones, respectively.

Another dataset of sTs_{T} for methane flames with pressure effects was obtained by Fragner et al[39] via a series of Bunsen flame experiments at different pp and ϕ\phi. As this dataset has roughly the same u0.44m/su^{\prime}\approx 0.44\;\mathrm{m/s} and lt5.5mml_{t}\approx 5.5\;\mathrm{mm}, Fig. 10 only plots model predictions versus experiment measurements instead of the plot sT/sL0s_{T}/s_{L}^{0} versus u/sL0u^{\prime}/s_{L}^{0}. As most points lie on the diagonal of the plot, the model predictions generally agree with the experimental results. Similar to the previous validations, the model assessment for this dataset with p=0.10.4p=0.1\sim 0.4 MPa and ϕ=0.71.0\phi=0.7\sim 1.0 confirms that the model in Eq. (18) is able to predict sTs_{T} of methane flames at a wide range of conditions.

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Figure 10: Comparisons of sTs_{T} obtained from the experiment [39] and the proposed model Eq. (18) for methane flames at various conditions. Error bars denote one standard deviations for the model uncertainty range.

For most cases employed for the model validation, the model estimation of sTs_{T} from Eq. (18) generally agrees with the DNS/experimental data. Although the predictions are not perfectly accurate for some cases, they correctly capture the general variation trends of sTs_{T}. Furthermore, the uncertainties in data statistics and model parameters are shown by error bars and shades in figures, respectively. We observe that the model prediction basically covers the data points with reasonable uncertainty ranges.

5.3 Propane and mixed fuels

Propane is a widely used alternative fuel for transportation. The propane/air mixture can cover a range of Le by tuning the equivalence ratio, facilitating the investigation of thermal-diffusive effects.

Figure 11 plots sT/sL0s_{T}/s_{L}^{0} of propane/air Bunsen flames at three equivalence ratios in the experiment of Tamadonfar and Gülder [41]. It shows that sT/sL0s_{T}/s_{L}^{0} for the propane/air mixture increases with ϕ\phi, similar to the lean hydrogen flame in Fig. 6a. This effect of the equivalence ratio is captured by the proposed model. For another experiment of propane/air Bunsen flames in Zhang et al[44], Fig. 12 compares the model prediction of sTs_{T} against the experimental result. The experiment data were obtained only at weak turbulence, and the present model predicts the linear growth of sT/sL0s_{T}/s_{L}^{0} with u/sL0<2u^{\prime}/s_{L}^{0}<2.

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Figure 11: Comparisons of sTs_{T} obtained from the experiment [41] (symbols) and the proposed model Eq. (18) (lines) for propane flames at p=1p=1 atm and different equivalence ratios.
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Figure 12: Comparisons of sTs_{T} obtained from the experiment [44] (symbols) and the proposed model Eq. (18) (lines) for propane flames at p=1p=1 atm. Dark and light shades denote one and two standard deviations for the model uncertainty range, respectively.

In practice, most fuels are mixtures of different components. For specific applications, different fuels are mixed to adjust flame properties such as the laminar flame speed. Among various mixed fuels, the hydrocarbon fuel blended with hydrogen has a wide range of Le, so it is particularly useful for the model validation with the effect of 𝒞0\mathcal{C}_{0}. Zhang et al[46] studied the effect of differential diffusion on turbulent lean premixed flames of mixed fuels. In this experiment series, the extent of hydrogen enrichment for the CH4/H2/air mixture varies from 0% to 60%. The laminar flame speed of each mixture is kept the same by adjusting ϕ\phi in the experiment, whereas the measured turbulent burning velocities are different. As shown in Fig. 13, the mixture with more hydrogen extent has larger sTs_{T} with stronger thermal-diffusive instability, and this trend is predicted by our model.

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Figure 13: Comparisons of sTs_{T} obtained from the experiment [46] (symbols with error bars for one standard deviation) and the proposed model Eq. (18) (lines) for methane/hydrogen flames with different hydrogen percentages in the mixed fuel.

5.4 Large hydrocarbon fuels

Large hydrocarbon molecules can be found in many practical fuels such as gasoline, diesel, and jet fuels. They are also employed to construct the surrogate models for engineering applications. For the large hydrocarbon fuels, the large Le reduces the stretched laminar burning velocity sLs_{L}, and the response of sLs_{L} to flame stretch is generally not sensitive to pressure [23].

Figure 14 compares model predictions (solid lines) and DNS results (symbols) of iso-octane premixed flames [23] at 1 and 20 atm. The 143-species skeletal mechanism [69] was used in our calculation of I0I_{0} for this case. With the modeled I0I_{0} pre-computed from laminar flames, the model correctly predicts that sTs_{T} for heavy fuels is smaller than that for light fuels. Furthermore, the model prediction is insensitive to pressure, consistent with the DNS observation. Figure 15 validates the model by another DNS result for n-dodecane flames [36]. The small stretch factor for the large hydrocarbon fuel leads to a lower value of sTs_{T}, and the model prediction agrees well with the DNS result.

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Figure 14: Comparisons of sTs_{T} obtained from the DNS [23] (symbols) and the proposed model Eq. (18) (lines) for iso-octane flames with ϕ=0.9\phi=0.9, p=0.1p=0.1 and 20 MPa. Dark and light shades denote one and two standard deviations for the model uncertainty range, respectively.
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Figure 15: Comparisons of sTs_{T} obtained from the DNS [36] (symbols with error bars for one standard deviation) and the proposed model Eq. (18) (lines) for n-dodecane flames with ϕ=0.7\phi=0.7, p=1p=1 atm. Dark and light shades denote one and two standard deviations for the model uncertainty range, respectively.

5.5 Overall performance of model prediction

In the present study, we assess the model Eq. (18) using 285 DNS and experimental results of sTs_{T} over a wide range of fuels, equivalence ratios, pressures, turbulence intensities, and turbulence length scales. The validations above have demonstrated that the proposed model gives overall good predictions of sTs_{T}.

Besides the model assessment through the representative cases for each type of fuels, Fig. 16 presents a comprehensive comparison between the model and DNS/experimental results for all the datasets listed in Table 1. Here, Fig. 16a is obtained from the model in Eq. (18) without free parameters. The corresponding averaged modeling error ε¯\bar{\varepsilon} over all the cases is 25.3%25.3\%. Here, the modeling error for each case is defined by

ε=|sT,modelsT,data|sT,data×100%,\varepsilon=\dfrac{\lvert s_{T,\mathrm{model}}-s_{T,\mathrm{data}}\rvert}{s_{T,\mathrm{data}}}\times 100\%, (20)

where sT,models_{T,\mathrm{model}} is the sTs_{T} predicted by the model in Eq. (18), and sT,datas_{T,\mathrm{data}} is the sTs_{T} data obtained from DNS or experiment.

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Figure 16: Comparison between DNS/experiment results and model predictions of sT/sL0s_{T}/s_{L}^{0} for all the 285 data cases in Table 1. (a) The proposed model Eq. (18); (b) the model with ad hoc 𝒞0\mathcal{C}_{0}. The symbol shape represents the fuel species, and the color denotes the pressure, which are the same with those in Fig. 1.

Considering the scattering of the DNS and experimental data across different groups and the intrinsic measurement and statistical uncertainties involved in the datasets, the averaged modeling error 25.3%25.3\% appears to be acceptable, and this performance is the best among existing sTs_{T} models. Here, the existing sTs_{T} models are also assessed using the 285 cases in Table 1. We find that the combination of sub models of the turbulence intensity, pressure, Lewis number, and fuel chemistry is important for the accurate prediction of sTs_{T} over a wide range of conditions. For example, the model [6] considering turbulence, pressure, and Lewis-number effects has relatively small ε¯=30%\bar{\varepsilon}=30\%, and the models [1, 20, 70, 14] only considering turbulence effects have ε¯\bar{\varepsilon} larger than 50%50\%.

On the other hand, the empirical model of the fuel-dependent coefficient in Eq. (17) can be improved, regarding the severe scatter of 𝒞0\mathcal{C}_{0} in Fig. 3. If we apply 𝒞0\mathcal{C}_{0} presented in Fig. 3 for the corresponding dataset, i.e., the model of Eq. (18) has one free parameter 𝒞0\mathcal{C}_{0}, the model prediction is significantly improved in Fig. 16b, and ε¯\bar{\varepsilon} is reduced from 25.3%25.3\% to 13.8%13.8\%. This large reduction demonstrates that the complexity of the fuel property and the hydrodynamic instability in weak turbulence is a major source of the uncertainties in the modeling of sTs_{T}.

Although the present model has been only validated for turbulent planar and Bunsen flames due to the requirement of the same consumption-based sTs_{T} definition, it can be applied to flames with other geometries. Our preliminary test shows that the present sTs_{T} model prediction qualitatively agrees with the experimental data of V-flames of the methane/air mixture [71, 72] and counterflow flames of the blended fuel mixture of CH4/H2 and C3H8/H2 [24], though different sTs_{T} definitions were used in these flame data. For spherical flames, most experiments observed the accelerating outwardly propagating flame front [73, 74, 75] which has not reached a statistically stationary state, and sTs_{T} was reported as an average over a range of flame radii [9, 74, 75]. Since the present model does not include this transient effect in turbulent flame development, it tends to overpredict sTs_{T} for spherical flames. Thus, the modeling of sTs_{T} for the flames with complex geometries remains an open problem.

6 Conclusion

We propose a predictive model of the turbulent burning velocity for a wide range of conditions covering various fuels, equivalence ratios, pressures, and turbulence intensities and length scales. Starting from the definition of the consumption speed, the model of sTs_{T} involves the turbulence effects on the flame stretch and the flame area growth in Eq. (3).

The present model of sTs_{T} in Eq. (18) has two major sub models. First, the flame response under turbulence stretch is characterized by the stretch factor I0I_{0} in Eq. (6), and I0I_{0} is retrieved from a lookup table calculated from laminar counterflow flames in the implementation. This model of I0I_{0} incorporates the effects of the Lewis number and pressure for a variety of fuels. Second, the flame area model [30] based on Lagrangian statistics of propagating surfaces is improved to consider the effects of turbulence length scales and fuel characteristics. The scaling (lt/δL0)1/2(l_{t}/\delta_{L}^{0})^{1/2} is incorporated to model the influence of turbulent diffusivity in Eq. (16). An empirical model in Eq. (17) for the fuel-dependent coefficient 𝒞0\mathcal{C}_{0} is proposed to quantify the effects of instabilities and fuel chemistry in weak turbulence. In the implementation, sTs_{T} is explicitly calculated from the algebraic model in Eq. (18) with several given reactant and flow parameters. This model has no free parameter.

We perform a comprehensive validation for the sTs_{T} model using 285 DNS/experimental cases reported from various research groups (see Table 1). The datasets for validation cover fuels from hydrogen to n-dodecane, pressures from 1 to 20 atm, and lean and rich mixtures. The model predictions and DNS/experimental results have an overall good agreement over the wide range of conditions, with the averaged modeling error 25.3%. Moreover, the model prediction involves the uncertainty quantification for empirical model parameters and chemical kinetic models.

The features of the present model are summarized as follows. (1) The present model keeps the merit of previous ones [25, 30] on predicting the bending phenomenon of sTs_{T} via modeling competing mechanisms of growth and reduction of the turbulent flame area. (2) The incorporation of the scaling for turbulence length scales extends the existing model to a wide range of turbulence parameters with u/sL0u^{\prime}/s_{L}^{0} from 0.35 to 110 and lt/δL0l_{t}/\delta_{L}^{0} from 0.5 to 80, so that the present model correctly predicts the growth of sTs_{T} with lt/δL0l_{t}/\delta_{L}^{0}. (3) Effects of detailed chemistry and transport are considered via the look-up table of I0I_{0}. This sub model characterizes the thermal-diffusive effects of reactants on sTs_{T}, which is important to obtain correct bending curves of sTs_{T} for thermal-diffusive unstable mixtures with Le <1<1. (4) The fuel-dependent coefficient 𝒞0\mathcal{C}_{0} describes the influence of instabilities in weak turbulence, which makes the present model applicable for various fuel mixtures.

We remark that the validation for the present sTs_{T} model is restricted to planar and Bunsen flames. The model application for other flame geometries and different sTs_{T} definitions requires further investigation. Furthermore, this model still needs to be improved and extended for practical combustion problems such as the flame kernel development, swirling flame stabilization, and spray combustion.

Acknowledgement

This work has been supported in part by the National Natural Science Foundation of China (Grant Nos. 91841302, 11925201, 11988102 and 91541204) and the Xplore Prize.

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