Simulation of the evaporation and autoignition of complex fuel single droplets under microgravity conditions

Yuhang SUN, Haiyu SONG, Yucheng LIU

Journal of Tsinghua University(Science and Technology) ›› 2026, Vol. 66 ›› Issue (4) : 677-690.

PDF(8257 KB)
PDF(8257 KB)
Journal of Tsinghua University(Science and Technology) ›› 2026, Vol. 66 ›› Issue (4) : 677-690. DOI: 10.16511/j.cnki.qhdxxb.2024.27.038
Microgravity Combustion

Simulation of the evaporation and autoignition of complex fuel single droplets under microgravity conditions

Author information +
History +

Abstract

Objective: Understanding how multicomponent fuel droplets combust in microgravity environments is crucial for characterizing real fuels during spray combustion. Constructing surrogate fuels that represent real fuels is significant, balancing the need for accurate representation of complex, multicomponent fuels with acceptable computational costs. Existing surrogate fuels often match the overall properties of real fuels; however, this can lead to inaccuracies due to differences in how components vaporize due to their volatility. This article aims to study the differences in droplet evaporation and autoignition behaviors among hydrocarbon fuels with various carbon numbers and volatilities in both single- and multi-component scenarios. Methods: We developed a numerical simulation model for single droplet combustion under the assumption of spherical symmetry for multicomponent fuels. This model solves the one-dimensional convective diffusion equation for heat and mass transfer and the continuity equation for gas and liquid phases. We examined single-component n-alkanes with carbon numbers ranging from 9 to 13 and four multicomponent mixtures with an average carbon number of 10, designed to represent surrogate fuels. For single-component fuels, our analysis focused on the zero-dimensional ignition delay time, ignition delay time for droplet combustion, and droplet radius changes over time. For multicomponent fuels, we also studied component distribution in the gas and liquid phases to understand the coupling relationship between evaporation, diffusion, and reaction during droplet combustion. Our quantitative analysis of ignition delay time involved simulating zero-dimensional ignition time under local temperature and composition throughout the droplet combustion process and the entire space. Results: The results showed that although zero-dimensional ignition delay times did not differ significantly among components with different carbon numbers, fuel droplets with lower carbon numbers had shorter ignition delay times because of higher volatility. In multicomponent mixtures, despite similar molecular structures, average carbon numbers, and ignition delay times in zero-dimension reactors between the four mixtures and n-decane, there were significant differences in droplet ignition delay times and droplet radius evolution. The analysis revealed that in multicomponent fuels, high-volatility components evaporate first, and low-volatility components evaporate later. With limited liquid mass transfer rates, low-volatility components accumulate on the droplet surface. This accumulation reduces volatility, extends the ignition delay time, and prolongs the droplet combustion lifetime. Our quantitative analysis found that droplet evaporation influences ignition in two ways: it mixes components and propagates the reaction, and it accelerates the ignition process through continuous fuel evaporation. Both processes are closely related to preferential vaporization. Conclusions: Therefore, surrogate fuel models that match the overall physical and chemical properties of real fuels may exhibit different droplet combustion properties compared with real fuels. This finding highlights the importance of accurately modeling the complex evaporation and combustion processes of multicomponent fuels in microgravity environments to improve spray combustion simulation accuracy.

Key words

microgravity / complex fuel / droplet evaporation / droplet combustion simulation

Cite this article

Download Citations
Yuhang SUN , Haiyu SONG , Yucheng LIU. Simulation of the evaporation and autoignition of complex fuel single droplets under microgravity conditions[J]. Journal of Tsinghua University(Science and Technology). 2026, 66(4): 677-690 https://doi.org/10.16511/j.cnki.qhdxxb.2024.27.038

References

1
LAW C K. Recent advances in droplet vaporization and combustion[J]. Progress in Energy and Combustion Science, 1982, 8(3): 171- 201.
2
SIRIGNANO W A. Fluid dynamics and transport of droplets and sprays[M]. 2nd ed New York: Cambridge University Press, 2010.
3
ABRAMZON B, SIRIGNANO W A. Droplet vaporization model for spray combustion calculations[J]. International Journal of Heat and Mass Transfer, 1989, 32(9): 1605- 1618.
4
MERCI B, ROEKAERTS D, SADIKI A. Experiments and numerical simulations of diluted spray turbulent combustion[M]. Dordrecht: Springer, 2011.
5
TANABE M, KONO M, SATO J, et al. Two stage ignition of n-heptane isolated droplets[J]. Combustion Science and Technology, 1995, 108(1-3): 103- 119.
6
TANABE M, BOLIK T, EIGENBROD C, et al. Spontaneous ignition of liquid droplets from a view of non-homogeneous mixture formation and transient chemical reactions[J]. Symposium (International) on Combustion, 1996, 26(1): 1637- 1643.
7
LI A, ZHU L, MAO Y B, et al. Surrogate formulation methodology for biodiesel based on chemical deconstruction in consideration of molecular structure and engine combustion factors[J]. Combustion and Flame, 2019, 199, 152- 167.
8
WEI H Q, ZHAO W H, ZHOU L, et al. Large eddy simulation of the low temperature ignition and combustion processes on spray flame with the linear eddy model[J]. Combustion Theory and Modelling, 2018, 22(2): 237- 263.
9
DALAKOTI D K, KRISMAN A, SAVARD B, et al. Structure and propagation of two-dimensional, partially premixed, laminar flames in diesel engine conditions[J]. Proceedings of the Combustion Institute, 2019, 37(2): 1961- 1969.
10
DOOLEY S, WON S H, HEYNE J, et al. The experimental evaluation of a methodology for surrogate fuel formulation to emulate gas phase combustion kinetic phenomena[J]. Combustion and Flame, 2012, 159(4): 1444- 1466.
11
DOOLEY S, WON S H, CHAOS M, et al. A jet fuel surrogate formulated by real fuel properties[J]. Combustion and Flame, 2010, 157(12): 2333- 2339.
12
YU J, JU Y G, GOU X L. Surrogate fuel formulation for oxygenated and hydrocarbon fuels by using the molecular structures and functional groups[J]. Fuel, 2016, 166, 211- 218.
13
NARAYANASWAMY K, PEPIOT P. Simulation-driven formulation of transportation fuel surrogates[J]. Combustion Theory and Modelling, 2018, 22(5): 883- 897.
14
WANG K, XU R, PARISE T, et al. A physics-based approach to modeling real-fuel combustion chemistry - Ⅳ. HyChem modeling of combustion kinetics of a bio-derived jet fuel and its blends with a conventional Jet A[J]. Combustion and Flame, 2018, 198, 477- 489.
15
YANG M, LIN S Q, LIAO H D, et al. A new jet fuel surrogate formulated by emulating the distribution of pyrolysis products obtained from shock tube experiments[J]. Fuel, 2021, 283, 118874.
16
LUO L, LIU Y C. An "artificial" activity coefficient modeling approach for emulating combustion and physical property variations during distillation of real complex fuel[J]. Combustion and Flame, 2021, 230, 111446.
17
GODSAVE G A E. Studies of the combustion of drops in a fuel spray—the burning of single drops of fuel[J]. Symposium (International) on Combustion, 1953, 4(1): 818- 830.
18
SESHADRI K, PETERS N, WILLIAMS F A, et al. Asymptotic analysis of quasi-steady n-heptane droplet combustion supported by cool-flame chemistry[J]. Combustion Theory and Modelling, 2016, 20(6): 1118- 1130.
19
JACKSON G S, AVEDISIAN C T. Modeling of spherically symmetric droplet flames including complex chemistry: Effect of water addition on n-heptane droplet combustion[J]. Combustion Science and Technology, 1996, 115(1-3): 125- 149.
20
MARCHESE A J, DRYER F L. The effect of non-luminous thermal radiation in microgravity droplet combustion[J]. Combustion Science and Technology, 1997, 124(1-6): 371- 402.
21
FINNERAN J, GARNER C P, NADAL F. Deviations from classical droplet evaporation theory[J]. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 2021, 477(2251): 20210078.
22
KUMAGAI S, SAKAI T, OKAJIMA S. Combustion of free fuel droplets in a freely falling chamber[J]. Symposium (International) on Combustion, 1971, 13(1): 779- 785.
23
XU G W, IKEGAMI M, HONMA S, et al. Inverse influence of initial diameter on droplet burning rate in cold and hot ambiences: A thermal action of flame in balance with heat loss[J]. International Journal of Heat and Mass Transfer, 2003, 46(7): 1155- 1169.
24
REHMAN H L U, WEISS J, SEERS P. Effect of heat conduction on droplet life time and evaporation rate under forced convection at low temperatures[J]. Experimental Thermal and Fluid Science, 2016, 72, 59- 66.
25
SHAW B D, DRYER F L, WILLIAMS F A, et al. Sooting and disruption in spherically symmetrical combustion of decane droplets in air[J]. Acta Astronautica, 1988, 17(11-12): 1195- 1202.
26
NAYAGAM V, DIETRICH D L, FERKUL P V, et al. Can cool flames support quasi-steady alkane droplet burning?[J]. Combustion and Flame, 2012, 159(12): 3583- 3588.
27
WANG C H, LIU X Q, LAW C K. Combustion and microexplosion of freely falling multicomponent droplets[J]. Combustion and Flame, 1984, 56(2): 175- 197.
28
FRANZELLI B, FIORINA B, DARABIHA N. A tabulated chemistry method for spray combustion[J]. Proceedings of the Combustion Institute, 2013, 34(1): 1659- 1666.
29
CHRIGUI M, GOUNDER J, SADIKI A, et al. Partially premixed reacting acetone spray using LES and FGM tabulated chemistry[J]. Combustion and Flame, 2012, 159(8): 2718- 2741.
30
ANTONOV D V, FEDORENKO R M, STRIZHAK P A, et al. Puffing/micro-explosion in composite fuel/water droplets heated in flames[J]. Combustion and Flame, 2021, 233, 111599.
31
ANTONOV D V, FEDORENKO R M, STRIZHAK P A. Micro-explosion phenomenon: Conditions and benefits[J]. Energies, 2022, 15(20): 7670.
32
ANTONOV D V, STRIZHAK P A, SHCHEPAKINA E A, et al. A combined analytical/numerical approach to the modeling of the processes leading to puffing and micro-explosion in a composite multi-component fuel/water droplet[J]. Atomization and Sprays, 2024, 34(3): 31- 51.
33
SENDA J, HIGAKI T, SAGANE Y, et al. Modeling and measurement on evaporation process of multicomponent fuels[J]. Warrendale: SAE International, 2000, 347- 358.
34
RA Y, REITZ R D. A combustion model for multi-component fuels using a physical surrogate group chemistry representation (PSGCR)[J]. Combustion and Flame, 2015, 162(10): 3456- 3481.
35
ITANI L M, BRUNEAUX G, DI LELLA A, et al. Two-tracer LIF imaging of preferential evaporation of multi-component gasoline fuel sprays under engine conditions[J]. Proceedings of the Combustion Institute, 2015, 35(3): 2915- 2922.
36
STAGNI A, ESCLAPEZ L, GOVINDARAJU P, et al. The role of preferential evaporation on the ignition of multicomponent fuels in a homogeneous spray/air mixture[J]. Proceedings of the Combustion Institute, 2017, 36(2): 2483- 2491.
37
WON S H, ROCK N, LIM S J, et al. Preferential vaporization impacts on lean blow-out of liquid fueled combustors[J]. Combustion and Flame, 2019, 205, 295- 304.
38
SHASTRY V, CAZERES Q, ROCHETTE B, et al. Numerical study of multicomponent spray flame propagation[J]. Proceedings of the Combustion Institute, 2021, 38(2): 3201- 3211.
39
LI S P, ZHANG H W, LAW C K. Gas-phase transient effects on droplet evaporation and ignition[J]. Combustion and Flame, 2023, 254, 112840.
40
TONINI S, COSSALI G E, SHCHEPAKINA E A, et al. A model of droplet evaporation: New mathematical developments[J]. Physics of Fluids, 2022, 34(7): 073312.
41
HUANG J, ZHANG H T, HE Y, et al. Evaporation, autoignition and micro-explosion characteristics of RP-3 kerosene droplets under sub-atmospheric pressure and elevated temperature[J]. Energies, 2022, 15(19): 7172.
42
KITANO T, NISHIO J, KUROSE R, et al. Evaporation and combustion of multicomponent fuel droplets[J]. Fuel, 2014, 136, 219- 225.
43
LIU Y C, AVEDISIAN C T. A comparison of the spherical flame characteristics of sub-millimeter droplets of binary mixtures of n-heptane/iso-octane and n-heptane/toluene with a commercial unleaded gasoline[J]. Combustion and Flame, 2012, 159(2): 770- 783.
44
BONANNI M, IHME M. Interaction of preferential evaporation and low-temperature chemistry in multicomponent counterflow spray flames[J]. Proceedings of the Combustion Institute, 2023, 39(2): 2565- 2573.
45
FREDRICH D, GIUSTI A. Numerical investigation of multi-component droplet evaporation and autoignition for aero-engine applications[J]. Combustion and Flame, 2022, 241, 112023.
46
FAROUK T I, WON S H, DRYER F L. Sub-millimeter sized multi-component jet fuel surrogate droplet combustion: Physicochemical preferential vaporization effects[J]. Proceedings of the Combustion Institute, 2021, 38(2): 3313- 3323.
47
LUO L, LIU Y C. Controlling parameters and regimes for preferential vaporization of jet fuel droplet with liquid transport and convection[J]. Fuel, 2022, 321, 123817.
48
SAZHIN S S, AL QUBEISSI M, NASIRI R, et al. A multi-dimensional quasi-discrete model for the analysis of Diesel fuel droplet heating and evaporation[J]. Fuel, 2014, 129, 238- 266.
49
POLING B E, PRAUSNITZ J M, O'CONNELL J P. The properties of gases and liquids[M]. 5th ed New York: McGraw-Hill, 2021.
50
FREDENSLUND A, GMEHLING J, RASMUSSEN P. Vapor-liquid equilibria using UNIFAC: A group-contribution method[M]. Amsterdam: Elsevier, 1977.
51
CHANG Y C, JIA M, WANG P Z, et al. Construction and derivation of a series of skeletal chemical mechanisms for n-alkanes with uniform and decoupling structure based on reaction rate rules[J]. Combustion and Flame, 2022, 236, 111785.
52
STRANG G. On the construction and comparison of difference schemes[J]. SIAM Journal on Numerical Analysis, 1968, 5(3): 506- 517.
53
HALLETT W L H, LEGAULT N V. Modelling biodiesel droplet evaporation using continuous thermodynamics[J]. Fuel, 2011, 90(3): 1221- 1228.
54
SARATHY S M, WESTBROOK C K, MEHL M, et al. Comprehensive chemical kinetic modeling of the oxidation of 2-methylalkanes from C7 to C20[J]. Combustion and Flame, 2011, 158(12): 2338- 2357.
55
SUDHOLT A, CAI L M, HEYNE J, et al. Ignition characteristics of a bio-derived class of saturated and unsaturated furans for engine applications[J]. Proceedings of the Combustion Institute, 2015, 35(3): 2957- 2965.

RIGHTS & PERMISSIONS

All rights reserved. Unauthorized reproduction is prohibited.
PDF(8257 KB)

Accesses

Citation

Detail

Sections
Recommended

/