Twenty-first Symposium (International) on Combustion/The Combustion Institute, 1986/pp, 1891-1897 A N A N A L Y S I S OF L E W I S N U M B E R A N D F L O W EFFECTS O N T H E I G N I T I O N O F P R E M I X E D GASES P.S. TROMANS AND R.M. FURZELAND Shell Research Ltd., Thornton Research Centre, P.O. Box 1, Chester CHI 3SH, England We have analysed numerically the ignition of a combustible gas to which heat is added over a specified period at a spherical boundary of small diameter. We solve conservation equations for reactant and sensible enthalpy and allow the gas to undergo a one step chemical reaction. The numerical technique involves a finite difference scheme with an adaptive grid. We find that, until the flame has grown beyond a critical radius, it relies upon the heat source to prevent its extinction. A minimum energy is required for successful ignition. This minimum increases as the Lewis number of the mixture increases. The minimum ignition energy also increases if the flame front is stretched. This behaviour is in very close agreement with experimental observations of the spark ignition of turbulent mixtures. 1. Introduction To explain their observations of spark ignition Lewis and von Elbe I m a d e intuitive arguments in terms of"excess enthalpy" and "flame stretch". T h o u g h their description provides useful scales for the m i n i m u m ignition energy and predicts its relationship with pressure and b u r n i n g velocity, it does not completely define the process. To gain f u r t h e r insight several numerical studies have been m a d e of ignition initiated by small, hot pockets of gas. Generally, this work has involved complex chemical kinetic schemes. Dixon-Lewis and S h e p h e r d z'3 examined the ignition of hydrogen-air mixtures by spherical and cylindrical hot spots. They investigated the effect of pocket size and radical addition on m i n i m u m ignition energy. Overley, Overholser and Reddien 4 studied the influence on m i n i m u m ignition energy of hot pocket size and shape; they looked at spherical and spheroidal pockets. Kailasanath, O r a n and Boris" included the effect of a d d i n g heat to the hot pocket over some prescribed p e r i o d rather than instantaneously. T h e present authors studied the ignition of a gas with a Lewis n u m b e r of one, which could u n d e r g o a one step chemical reaction. 6 We c o m p a r e d the effects o f a d d i n g heat at a planar b o u n d a r y and at cylindrical and spherical boundaries of very small diameter. Only the spherical geometry provided results which were similar to e x p e r i m e n t a l observa- tions o f spark ignition: there was a minimum radius below which deceleration and extinction o f a spherical flame could occur, a m i n i m u m energy for ignition, an optimum source duration and a sensitivity to imposed strain fields. T h e importance o f spherical geometry was illuminated by the asymptotic analysis of Deshaies and Joulin.; T h e i r work reveals a m i n i m u m radius for the unsupp o r t e d propagation of a spherical flame. Kailasanath and O r a n s and Sloane 9 included detailed chemical kinetic schemes in their numerical studies of the ignition o f hydrogenoxygen-nitrogen mixtures and methane-oxygen-argon mixtures, but still f o u n d that flame curvature had a major influence on their results. Kailasanath and O r a n observed large flame decelerations and a tendency to extinction in the spherical system, while Sloane found that spherical geometry was essential for his calculated m i n i m u m ignition energies to show the correct d e p e n d e n c e on equivalence ratio. In view o f the importance of geometrical and physical factors it is worthwhile to investigate the effect of variation o f the parameters in a model involving only a one step chemical reaction. This is the p u r p o s e o f the present paper. In particular we investigate two areas: the role o f an effective Lewis n u m b e r in controlling the d e p e n d e n c e of ignition energy on equivalence ratio and the possibility of modelling the influence o f turbulent motion on spark ignition in terms of flame stretch. 1891 1892 IGNITION AND EXTINCTION 2. The Conservation Equations and the Method of Solution We wish to analyse the initiation of a spherical flame in a p r e m i x e d gas by a small, spherical source of heat. We consider a one step reaction controlled by the concentration of one limiting reactant. T h e conservation equations for the mass fraction of this reactant and sensible enthalpy are: superscript asterisk indicates conditions in the burnt gas behind a planar, adiabatic, laminar flame. T h e non-dimensional conservation equations are: aY or 1 0/ 0yX -/32MYexp j~0 - - l ) c~T aT i7 [" 4 0T" ~ +RB2MYexpl3(1-1) and o-7 +v Ox x2 (2) xty (5) (6) We have eliminated the continuity equation by introducing the mass weighted coordinate, t~, such that: where a~ O-T = r 2 0 = r 2 ~ A nomenclature is p r o v i d e d later. T h e continuity equation is: Ot~ _ 1 0.2_ ` -~T -t- p e q- -~ff ~x ( X p v j = O = T* - 30T E Ok (7) (4) T = ~1~*, To = ~1"o/7"*, Y = ?17o, 5 = ko/Oo ut Cp, r = x/8 , t = "rud8, P = P/Po, f3 = E/RT"*, M = koB/e~Oo u2Cp~ ~, R 02(r 3) OC The heat addition takes place at a spherical surface with its centre at x = 0. T h e term e in Eq. (4) corresponds to flows in directions normal to the radial one. It leads to a velocity gradient in the radial direction o f e/3 for the constant density case and a flow g e n e r a t e d flame stretch of the same value. Such a straining flow field could be generated by a distribution of sinks on an axis o f the sphere. T h o u g h such a flow field would be difficult to p r o d u c e practically, it allows us to investigate the influence o f flow g e n e r a t e d flame stretch in a one dimensional problem. We shall assume ~-1 oc k ~/'. Equations (1) to (4) may be non-dimensionalised by substituting: = e g/ul, withr= 0atqJ=0. To obtain the relationship between r and we solved the additional differential equation: To, T h e b o u n d a r y conditions for the equations are set by the heat addition at the spherical surface and far field conditions. T h e heat addition is at a surface defined by + = a. A small value, a -- 0.05, was chosen so that the heat addition reasonably models a point source. Thus, we have: 3r H(t) T=To, Y = I at large (8) The term (To/T) 4/3 is a d d e d so that a constant value of H c o r r e s p o n d s to a constant rate of heat addition. H(t) was given the form shown in Fig. 1. T h e initial conditions are: T = To, Y = 1 for a l l 0 (9) It is straightforward to show that the total energy a d d e d is: E=4~(3a)413 where ul is the adiabatic burning velocity, g is the adiabatic flame thickness and the tilde indicates a dimensional variable, the subscript zero indicates u n b u r n t gas conditions, and the at~=a flH(t)dt (10) We note that the dimensional energy is: = OoCp~ 3 ? ' * E (11) ANALYSIS OF IGNITION OF PREMIXED GASES / "1Z 0 FZ LL er I-- I 0 tI t2 t3 TIME, t FIG. 1. Form of heat source function H (t) T h e governing Eqs. (5), (6), (7), are discretised in space using an adaptive mesh and corresponding finite-difference approximations, to give a system of ordinary differential equations in time for T and Y (of order 2N, where N is the n u m b e r of space points). Within certain limits the n o n - u n i f o r m space mesh is generated by the co-ordinate transformation: ~ J( ~,t) d~b XOk, r) = i ~ j ( 4 , , t) d4" in the literature. Lavoie 11 gave activation energy as a function of equivalence ratio for propane-air mixtures. T h o u g h it is often assumed that activation energy is i n d e p e n d e n t of concentration, his results show a strong peak at an equivalence ratio of one. The activation energy falls off faster than adiabatic flame temperature as the mixture is weakened or richened. In view of the n u m e r o u s uncertainties it seems appropriate to use a constant value of non-dimensional activation energy, [3, in the present work: we have performed our calculations for 13 = 8 and [3 -= 10. Our results later will show that, though [3 is important, it is a much less significant parameter than the Lewis number. For extremely rich and extremely weak mixtures the Lewis n u m b e r should be based on the diffusivity of the deficient component. However, we require some intermediate value for other mixtures. We obtained an effective Lewis n u m b e r by means of the formula derived by Joulin and Mitani lz in their study of the instability of two reactant flames. Their formula is: L = L2 - G (L1 - L2) (12) where J(+,~), the monitor function, is some measure of space derivatives of T and Y. For a given u n i f o r m X mesh Xi = (i - 1) ~ , i = 1, . . . . N with (N - 1) s =- 1, constant for all time, the above transformation adapts the spacing of the corresponding I]/i points in proportion to the gradients of T and Y. For the present problem the monitor function we use lS: The mesh allows accuracy and fine resolution of the flame to be combined with computational efficiency. The limits on the mesh spacing are provided by user chosen criteria on maximum and m i n i m u m mesh sizes At~i. T h e finite-difference discretisations, space remeshing and time integration are performed automatically by the SPRINT package (Software for PRoblems IN Time) developed jointly by Leeds University and T h o r n t o n J ~ T h e calculations have been performed over a range of values of Lewis n u m b e r , L, activation energy, [3, and initial temperature, To. The initial temperature a n d flame temperature are easily calculated to give To. However, a wide range of values of activation energy are quoted 1893 (14) where L2 and L1 are the Lewis numbers of the deficient and a b u n d a n t reactants. G is a function of the equivalence ratio a n d the orders of the reaction which we have assumed to be one with respect to both reactants. The expression is valid for L1 and L2 near unity. M, the eigenvalue of the adiabatic flame problem, is well approximated by 13 M = 1/2L + (0.656 + L)/[3L In our previous work we found that for Lewis number, L, equal to unity the m i n i m u m ignition energy showed little sensitivity to the duration, t3, of the heat source for t3 less than one, For the present calculations we set t3 = 1 except for those at large Lewis n u m b e r where large energies were required and we found much longer source durations were acceptable. 3. Results As indicated by Kapila 14 a n d discussed in our previous paper the c o m m e n c e m e n t of the heat source is followed by heating, induction, local explosion and propagation stages. Ignition failure can occur as a result of flame extinction early in the p r o p a g a t i o n stage as the flame front moves away from the source. Sets of temperature distributions illustrating a successful ignition and an extinction are shown in Figs. 2 and 3 respectively. Some position diagrams 1894 IGNITION AND EXTINCTION 2 C 10 b- ?A ~- r O n ku 0 5 10 --I LL RADIUS, r FIG. 2. T e m p e r a t u r e distributions for successful ignition A, t = 0.4; B, t = 1.1; C, t = 2.6; D, t = 4.0; To = 0.145, L = 1.00, 13 = 8, t3 = 1.0, E = 58 f o r f l a m e s i n i t i a t e d in d i f f e r e n t m i x t u r e s b y d i f f e r e n t h e a t s o u r c e s a r e s h o w n in Fig. 4. W e h a v e d e f i n e d f l a m e p o s i t i o n as t h e p o i n t w h e r e t h e s t e e p e s t t a n g e n t to t h e c o n c e n t r a t i o n p r o file t h a t m a y b e d r a w n w i t h i n t h e f l a m e f r o n t cuts t h e Y = 0 axis. Initially t h e f l a m e p r o p a g a t e s quickly, at a s p e e d close to t h e n o r m a l b u r n i n g velocity, w h i l e it is d r i v e n by t h e h e a t source. After cessation of the source the flame s p e e d is m u c h r e d u c e d . F o r e a c h m i x t u r e t h e r e is a critical r a d i u s w h i c h t h e f l a m e m u s t r e a c h , a i d e d by t h e h e a t s o u r c e , b e f o r e it m a y c o n t i n u e A i I i 2 I I I 4 | I 6 I 8 TIME, t FIG. 4. Position d i a g r a m for flames A, To = 0.131, L = 1.19, 13 = 8, t3 = 1.1, E = 201; B, To = 0.131, L = 1.19, 13 = 8, t~ = 1.1, E = 195; C, To = 0.155, L = 1.00, 13 = 8, t3 = 1.0, E = 48.4 u n s u p p o r t e d . T h i s b e h a v i o u r is in q u a l i t a t i v e agreement with the experimental observations o f f l a m e g r o w t h b y L i n t i n a n d W o o d i n g , 15 d e S o e t e 16 a n d A k i n d e l e , B r a d l e y , M a k a n d McMahon) 7 The minimum energy for ignition i n c r e a s e s w i t h t h e critical r a d i u s . We have investigated the influence of the p a r a m e t e r s To, ~ a n d L o n t h e m i n i m u m ignition energy. Figure 5 shows the depend e n c e o n To: as w e m i g h t e x p e c t , t h e m i n i m u m i g n i t i o n e n e r g y d e c r e a s e s as t h e initial t e m p e r a t u r e is b r o u g h t c l o s e r to t h e f l a m e t e m p e r a t u r e . uJ >- F- 80 70 z I- 60 I-- ~ 50 ~ 40 z I 5 I 10 "~ 3o I 0.13 | I I 0.14 0.15 0.16 INITIAL RADIUS, TEMPERATURE, T O r FIG. 3. T e m p e r a t u r e distributions for extinction A, t = 0.4; B, t = 1.1; C, t = 2.6; D, t = 4.0; To = 0.145, L = 1.00, 13 = 8, t3 = 1.0, E = 53 FIG. 5. Variation o f m i n i m u m ignition energy with initial t e m p e r a t u r e , To, for activation energy, 13 = 8 and Lewis n u m b e r L = 1; o Ignition, x Extinctiontinction ANALYSIS OF IGNITION OF PREMIXED GASES 2O0 - 180 m LU 160 Z 140 ~_ 120 Z 100 - 60 8 .~=10 / so z 40 ~ 0.95 / " 1.00 i i i i 1.05 1.10 1.15 1.20 LEWIS NUMBER, L FIG. 6. Effect of Lewis number, L, on minimum ignition energy; o ignition 13= 8, [Nignition 13= 10, x extinction 13 = 8, + extinction 13 = 10, To = 0.135 The influence is quite strong: in dimensional terms a 10~ rise in ambient temperature reduces the m i n i m u m energy for ignition by about ten per cent. Figure 6 is of greater interest: it shows how m i n i m u m ignition energy increases monotonically with Lewis number. The Lewis n u m b e r is large when the mixture is very deficient in a heavy, slowly diffusing gas: it will be small when the mixture is very deficient in a light, rapidly diffusing gas. There is a transition region between the two extremes, which, for typical alkanes, occupies most of the flammable range. Thus, we should expect the equivalence ratio at which methane-air mixtures are most easily ignited to be the lowest of all the alkanes. Propane-air mixtures will have the next lowest equivalence ratio; the equivalence ratios of lowest spark ignition energy will become richer as the molecular weight of the fuel increases. This is exactly as found in experiments.1 It can be seen from Fig. 6 that the effect of increasing activation energy is to increase slightly the sensitivity of m i n i m u m ignition energy to Lewis n u m b e r . This arises from the imbalance between chemical a n d sensible enthalpy fluxes that can occur in flames of non-unity Lewis n u m b e r , is W h e n Lewis number is greater than one the imbalance leads to a reduction in the flame temperature compared with the unity Lewis n u m b e r case. Increasing the activation energy increases the sensitivity of the flame to these temperature changes. We have used Eq. (11) in conjunction with the data such as that listed in Table 1 to calculate dimensional m i n i m u m ignition energies for methane-air and propane-air mixtures over a range of equivalence ratios. The results are shown in Fig. 7. Although the m i n i m u m ignition energies for the most ignitable mixtures are a factor of 5 smaller than the values measured in spark ignition experiments, 1895 the curves are qualitatively correct. The difference is not unreasonable considering that our model is a spherical one taking no account of the real shape of the spark source or heat losses to the electrodes. Moreover, quite large variations may arise from small errors in the flame thickness, g. Finally, we have explored the influence of the strain rate term, e, in Eqs. (5) and (6). As shown in Fig. 8 the addition of this term increases the m i n i m u m ignition energy particularly of mixtures with large Lewis numbers. This can be explained in terms of the known sensitivity of flames, especially large Lewis n u m b e r flames, to strain fields. It seems likely that this sensitivity to strain rate reflects the relationship between the m i n i m u m energy for spark ignition and the root mean square, turbulent strain rate found by T r o m a n s and O ' C o n n o r 19 in their experiments on the spark ignition of turbulent mixtures. To investigate this we have replotted our theoretical curves in Fig. 9 together with the results of T r o m a n s and O ' C o n n o r and some taken from Ballal and Lefebvre. 2~ All the experimental results are for cases where the smallest eddies of the turbulent motion are larger than or approximately equal to the laminar flame thickness. T h e i n d e p e n d e n t variable used in Fig. 9 is the rate of flame stretch, that is the increase of area of material surface in the flame front. This equals ~/3 in the numerical analysis and approximates one half of the root mean square turbulent strain rate in the experiments. The m i n i m u m ignition energy was normalised on the value at zero stretch rate. T h e agreement is remarkably good. 4. D i s c u s s i o n O u r model is restricted to one step chemistry; the combustible mixture is described only by its Lewis number, activation energy and, via the non-dimensionalization,its b u r n i n g velocity and flame thickness. Omission of complex chemistry in combination with advanced numerical techniques has allowed us to perform over 300 simulations economically on a readily available computer, an IBM 4341. It has emphasised the physical aspects of the problem. Perhaps the best justification is found in the results; at least qualitative agreement with experiments is achieved without parameter fitting. T h e implication is that m i n i m u m spark ignition energy is mainly controlled by physical mechanisms such as flame curvature and stretch. These processes influence flame propagation through balances and gradients in the 1896 IGNITION AND EXTINCTION TABLE I Typical data used to generate Figure 7 Mixture equivalence ratio Temperature ratio, T*/T0 Lewis number, L Flame thickness, 8 x 106m Calculated non-dimensional minimum ignition energy, E Methane-air 0.8 0.9 1.0 1.1 6.70 7.16 7.47 7.42 0.967 0.977 0.991 1.00 103 78 63 53 45.5 54.4 63.0 65.1 Propane-air 0.9 1.0 1.28 1.40 7.31 7.61 7.18 6.88 1.38 1.24 1.04 1.00 59 54 59 69 492 286 77.5 56.1 L = 1.19 3. uJ" T O = 0.131 1000 300 w o z O z (.9 o x L = 1.00 250 T o = 0.141 500 o LU 100 200 g z__ I- 50 | 0.8 I 1.0 EQUIVALENCE I 1.2 ! 1.4 RATIO 90 z 5; o Fro. 7. Calculated minimum ignition energies for methane-air and propane-air mixtures. convection-diffusion zone of the flame front; ]8 they couple with the chemistry in a gross and indirect way. Lewis n u m b e r will remain crucial and our present theory will be applicable so long as the sheet-like flame structure and reaction-diffusion zone are maintained. The practical limits and possibilities of our theory remain to be tested by comparison of our predictions of ignition energy with experimental results over a range of combustible mixtures and conditions. A most exciting future application of the analysis is to the flame development period following ignition, which is vital to the performance of gasoline engines. 5, Conclusions (i) O u r numerical calculations predict the spherical flame growth and extinction that may follow heat addition to a gas. (ii) A m i n i m u m ignition energy and critical o~ i x 70 T O = 0.142 50 30 0 0.1 0.2 0.3 0.4 0.5 VELOCtTY GRADIENT, e Fro. 8. Effect of velocity gradient, E, on minimum ignition energy. [3 = 8, o Ignition x Extinction flame radius are f o u n d in qualitative agreement with experimental observations of spark ignition. (iii) Calculations of the effect of flame stretch on m i n i m u m ignition energy are in remarkable agreement with experimental observations of influence of turbulence on spark ignition. (iv) The broad features of spark ignition are generated by the physical mechanisms of flame curvature and flame stretch; the ANALYSIS OF IGNITION OF PREMIXED GASES 1897 REFERENCES m uJ 1. LEwis AND VON ELBE: Combustion, Flames and E g 2. z N 3. 1 I 0.1 FLAME 4. 0.2 STRETCH RATE 5. FIG. 9. Comparison of the predicted effect of flame stretch with the measured effect of turbulent motion on spark ignition, o methane-air, pressure = 1 bar, ignition energy at zero stretch = 0.32 mJ, from ref, 18; 9 propane-air, pressure = 0.17 bar, ignition energy at zero stretch = 3.4 mJ, from ref. 19 m a j o r controlling number. parameter is the Lewis Nomenclature a B Cp e E H J k L m N Q r R t T ul v W z Y 13 e radius o f the cylindrical source p r e - e x p o n e n t i a l t e r m in the reaction rate specific heat d i m e n s i o n a l strain rate ignition e n e r g y f u n c t i o n giving t i m e d e p e n d e n c e o f the heat source monitor function t h e r m a l conductivity Lewis n u m b e r n o n - d i m e n s i o n a l reaction rate constant n u m b e r o f m e s h points in space h e a t release by chemical reaction n o n - d i m e n s i o n a l space c o o r d i n a t e t e m p e r a t u r e rise across an adiabatic flame n o n - d i m e n s i o n a l time temperature adiabatic b u r n i n g velocity velocity chemical reaction rate d i m e n s i o n a l space c o o r d i n a t e reactant c o n c e n t r a t i o n n o n - d i m e n s i o n a l activation e n e r g y adiabatic flame thickness n o n - d i m e n s i o n a l strain rate 6. 7. 8. 9. 10. 11. 12. 13. 14. 15. 16. 17. 18. 19. 20. 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