Experimental and computational investigation of the influence of iso-butanol on autoignition of n-decane and n-heptane in non-premixed flows

Ji, Liang; Cuoci, Alberto; Frassoldati, Alessio; Mehl, Marco; Avedisian, Thomas; Seshadri, Kalyanasundaram

doi:10.1016/j.proci.2022.08.058

Experimental and computational investigation of the influence of iso-butanol on autoignition of n-decane and n-heptane in non-premixed flows

Journal Article · Sat Oct 29 00:00:00 EDT 2022 · Proceedings of the Combustion Institute

DOI:https://doi.org/10.1016/j.proci.2022.08.058· OSTI ID:1998194

Ji, Liang ^[1]; Cuoci, Alberto ^[2]; ^[2]; ^[2]; Avedisian, Thomas ^[3]; Seshadri, Kalyanasundaram ^[4]

University of California at San Diego, La Jolla, CA (United States); UCSD
Politecnico di Milano (Italy)
Cornell University, Ithaca, NY (United States)
University of California at San Diego, La Jolla, CA (United States)

Experimental and computational investigation is carried out to elucidate the influence of iso-butanol on critical conditions of autoignition of n-decane and n-heptane. The counterflow configuration is employed. In this configuration an axisymmetric stream of air is directed over the surface of an evaporating pool of a liquid fuel. A stagnation plane is established. The temperature of the air is increased until autoignition is achieved in the mixing layer in the vicinity of the stagnation plane. The temperature of the air stream at autoignition, T_ig, is measured at various values of the strain rate, which is defined as the axial gradient of the axial component of the flow velocity at the stagnation plane. Fuels tested are n-decane, n-heptane, iso-butanol and various mixtures of n-decane/iso-butanol and n-heptane/iso-butanol. Kinetic modeling is carried out using the recently updated version of the comprehensive CRECK chemical-kinetic mechanism. Critical conditions of autoignition are predicted for all fuels and fuel mixtures and the results are compared with the measurements. Computations show that low-temperature chemistry plays a significant role in promoting autoignition of n-decane and n-heptane, and the influence of low-temperature chemistry decreases with increasing strain rates because there is insufficient residence for the low-temperature reactions to take place. Experimental data and numerical simulations show that addition of even small amounts of iso-butanol to n-decane or n-heptane increases the value of T_ig at low strain rates indicating that iso-butanol strongly inhibits the low-temperature chemistry of n-decane and n-heptane. Furthermore, the simulations show that when iso-butanol is present in the liquid fuel, only a small amount of n-decane is available in the gas phase and its low concentration cannot effectively sustain the low temperature degenerate branching oxidation process. Here, predicted flame structures show that the peak values of mole fraction of ketohydroperoxide are significantly reduced when iso-butanol is added to n-decane indicating that the kinetic pathway to low temperature ignition is blocked. This observation is confirmed from sensitivity analysis.

View Accepted Manuscript (DOE)

Research Organization:: Cornell University, Ithaca, NY (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE)

Grant/Contract Number:: EE0007978

OSTI ID:: 1998194

Journal Information:: Proceedings of the Combustion Institute, Journal Name: Proceedings of the Combustion Institute Journal Issue: 2 Vol. 39; ISSN 1540-7489

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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