Verification of detailed Simulations for Two-Stage Ignition of Single Droplets by Ignition Radius S. Schnaubelt, M. Tanabe(1), C. Eigenbrod, H. J. Rath ZARM, Center of Applied Space Technology and Microgravity, University of Bremen, Am Fallturm, 28359 Bremen, Germany (1) Department of Aerospace Engineering, Nihon University, Narashinodai 7-24-1, Funabashi, Chiba 274, Japan The self-ignition process of single n-heptane droplets in the two-stage ignition regime (600-1100 K, 0.3-1 MPa) was numerically investigated with a detailed 62-step chemical model for n-heptane (437 elementary reactions, 92 species) where special attention has been paid on the low temperature branch. This detailed numerical simulations presents results for both ignition delay and ignition radius. Thus beyond the standard validation for the numerical model by ignition delays a further parameter is the comparison of ignition radii. This comparison of ignition radii was carried out with interferometric measurements done with a Michelson interferometer under microgravity conditions at Drop Tower Bremen. As result of this study all experimental and simulated ignition radii are of the same order of magnitude and within the estimated error. A calculus of potential errors has been done carefully. Keywords: two-stage ignition; detailed simulation; droplets Introduction All known numerical models for the two-stage self ignition process were mostly verified by the comparison of first (τ1) and total (τt) induction times between experiment and simulation. τ t = τ 1 ( T ) + τ 2 ( p) physics (d, V) >> chemistry (1) chemistry (kinetic) influence of >> physics Equation 1 depicts the relation between the induction times. The low temperature reactions, which are determined from the physics (i.e. evaporation, transport properties, geometry) lead to a temperature increase (cool flame, measured with the first induction time τ1) and activate the hightemperature reactions so that a hot flame occurs. The second induction time τ2 depends almost only on the chemical kinetics. Figure 1 depicts the two-stage temperature rise and the appropriate cool flame and hot flame ignition radii. The maximum temperature is cut off in this diagram for a better representation of the region of interest. Space Forum, pp. 299-306, 2000 (Proceedings of Drop Tower Days, Sapporo, 1998) 2 Tmax ≈ 2000 K hot flame ignition cool flame ignition FIGURE 1: Temperature history over time and radius. Simulation, n-heptane, Ta =600K, p a =5bar, d0=0.7mm Due to interferometric measurement of ignition processes under microgravity conditions at Drop Tower Bremen [1] by a Michelson Interferometer it is possible to measure ignition delay times and ignition radii. The determination of the ignition radii from the interferograms is shown in Figure 2. So there is a further parameter to validate the numerical model. rc rh (a) rc =1.7mm FIGURE 2: (b) rh=1.3mm Interferogram of (a) cool flame and (b) hot ignition. n-heptane, Ta =600K, p a =5bar, d0=0.7mm The present work compares results from experiments on single n-heptane droplets under microgravity conditions at ambient pressures pa= 5 bar and ambient temperatures Ta= 600 - 800 K with the appropriate numerical simulations. Model Description and Experimental Setup A spherical droplet of liquid n-heptane with an initial temperature T0≈ 300K and diameter d0≈ 0.7 mm is rapidly (t =120 ms) inserted into a hot pressurized combustion chamber with uniform temperature Ta and pressure pa. Figure 3 depicts the experimental setup. Up to now the cool flame ignition is experimentally determined by the instant when the temperature rises above ambient temperature, caused by low temperature reactions. The hot ignition is marked by a very high temperature gradient. The temperature field is evaluated by a Michelson interferometer with a He-Ne laser (632.8 nm) of 1.2 mW as light source where the light beam is expanded to a parallel beam of 15 mm in height. All experiments were recorded with a high speed camera with a time resolution of 500 frames per second [2]. He - Ne LASER Beam splitter Mirror 3 Gas exhaust gas exhaust heater Heater controler controller Mirror beam splitter T.C. 1 T.C.1 Heatinsulator insulator heat Heater heater Glas window glas window T.C.11 T.C. Amp. amplifier Mirror mirror suspender Suspender T.D. traverse device Needle needle T.C.2 T.C. 2 T.D. T.D. controler controler T.C.2 T.C. Amp.2 amplifier C.C.D. C.C.D. Camera camera Fuel supply fuel supply Gas supply gas supply D.G. droplet controler generator controler Needle needle controler controler M T.D.: Traverse Device T.C.: Thermocouple FIGURE 3: Schematic model of the experimental setup In the numerical model mass and energy conservation for the liquid and gas phase is considered. In the gas phase also species conservation and equation of state by Peng-Robinson is included. Vapor pressure and latent heat are calculated by fugacity equilibrium and all liquid and gas phase properties are calculated temperature and pressure dependent. A complex 62-step reduced reaction kinetic (437 elementary reactions, 92 species, [3]) with special attention to the low temperature branch was used for the present results. The numerical criteria for detecting the cool flame (temperature T) T(τc) ≥ Ta + 10 K (2) and hot ignition (temperature gradient in time ∂T/∂τ) ∂T/∂τ (τt) ≥ 107 K/s (3) are chosen for the comparison with the experimental results. Results and Discussion Five microgravity experiments (pa= 5bar, d0=0.7mm, Ta= 600K,650K,700K,750K,800K) were done at Drop Tower Bremen and evaluated concerning their ignition radii. There can be seen a reasonable agreement between experimental and numerical results for both cool and hot flame ignition. The comparison of the ignition radii from cool flame ignition and hot flame ignition is shown in Figure 4 and Figure 5 respectively. All calculated and measured ignition radii are of the same order and within an estimated error, which is discussed later. The simulations show at those conditions where the cool flame behavior is most intensive that the ignition radius for the cool flame has a minimum. After an ambient temperature of about Ta≈ 640 K the hot flame ignites always at nearly the same radius. Despite these results new measurement techniques like LIF are necessary for a more detailed understanding and review of the described phenomena. 4 3,0 ignition radius [mm] R_c, Experiment [mm] R_c, Simulation [mm] 2,0 1,0 0,0 550 FIGURE 4: 600 650 700 temperature [K] 750 800 Comparison of cool flame ignition radii between experiment and simulation. n-heptane, p a =5 bar, d0=0.7mm. 3,0 ignition radius [mm] R_h, Experiment [mm] R_h, Simulation [mm] 2,0 1,0 0,0 550 FIGURE 5: 600 650 700 temperature [K] 750 800 Comparison of hot flame ignition radii between experiment and simulation. n-heptane, p a =5 bar, d0=0.7mm. Aside from the experimental uncertainties [1] the error bar is determined by two main factors, the inaccuracy by determining the radii from interferogram (Figure 2) and the assumption of the place of ignition (Figure 6). For finding the center of the droplet as well as the center of disturbance caused by the temperature rise, in the interferograms a uncertainty (U) of 1mm is assumed. To conclude from the projection to the original experimental order of magnitude (scaling factor fS), an error e1 = 2⋅U⋅fS = 0.6 mm (4) arises. The Michelson interferometer observes a two-dimensional temperature field with high temperature and time resolution. Deviations for the place of ignition in the axis of the line of sight are not visible for this process. In all interferograms the place of ignition was measured within a cone of a maximum half opening angle of ϑ= 15° (Figure 2, Figure 6) in the upper region of the droplet. 5 ϑ = 15° e2 r ϑ line of sight droplet suspender FIGURE 6: Error due to deviation in the axis of line of sight. r: measured radius in interferogram Therefore a maximum error e2 ≈ r ⋅ ϑ ⋅ sinϑ ≈ 0.068 ⋅ r ≅ 6.8% (5) for radius r occurs. This error is about an order of magnitude less than that induced due to the inaccuracy by determining the radii from interferogram, so it is neglected here. Responsible for this observation is a temperature non-uniformity in the combustion chamber (approximately 1 K/mm in the vertical direction and less in the horizontal one) and the cooling influence of the suspender. Compared with numerical simulation this disturbance has been clarified to be very small on droplet evaporation rate and it is small for ignition process as well. Conclusions The developed numerical model is additionally verified by comparison with measured ignition radii. This procedure of comparing not only ignition delays but also ignition radii has to be done for other one component fuels like n-decane as well as for two component model fuels [4]. Further investigation of ignition radii will be done in future investigations by modern laser diagnostics like LIF or LIPF at Drop Tower Bremen. Acknowledgements The research was funded within the DROP-COS project by the DLR (DARA), Germany (FKZ 50 WM 9448) References [1] [2] [3] [4] Tanabe, M.: Ph. D. Thesis, ZARM, 1996 Tanabe, M.; Kono, M.; Rath, H.J.: Comb. Sci. and Tech., 108: 103-119 (1995) Rath, H.J.: DROP-COS Research Project, 1997 Eigenbrod, C.; Rath, H.J.: 28th Int. Annual Conf. of Fraunhofer Inst. (1997)