Non-premixed ignition, laminar flame propagation, and mechanism reduction of n-butanol, iso-butanol, and methyl butanoate

An experimental and modeling study of 2-methyl-1-butanol oxidation in a jet-stirred reactor

“…Similarly for the C-C bond fission reactions, recommendations by Tsang [21,22] were used for C 2 H 5 + CH 3 ÁCHCH 2 OH and CH 3 + CH 3 CH( Å CH 2 )(CH 2 OH) reactions in analogy with the recombination reactions iC 3 H 7 + C 2 H 5 = iC 5 (k = 1.15 Â 10 14 T À0.35 cm 3 mol À1 s À1 ) and iC 4 H 9 + CH 3 = iC 5 H 12 (k = 1.94 Â 10 11 T À0.32 cm 3 mol À1 s À1 ) respectively. For the recombination of CH 2 OH and CH 3 CH 2 ÁCHCH 3 the rate constant was estimated based on Tsang's recommendation of k = 1.45 Â 10 13 cm 3 mol À1 s À1 .…”

“…As far as the C 6 alcohols are concerned, Togbé et al studied n-hexanol oxidation in a jet stirred reactor and a spherical bomb [1], Heufer and co-workers measured ignition delay times of n-hexanol at high pressures in a shock tube and a rapid compression machine [2]. Among the pentanol isomers, iso-pentanol is the most widely studied one; its oxidation has been investigated in a jet stirred reactor at an operating pressure of 5-10 atm and various equivalence ratios [3,4], in laminar flames [4,5] as well as in shock tubes and a rapid compression machine for ignition delay times [4,6,7]. Similarly, experimental kinetic studies exist on the n-isomer; Togbé et al [8] studied n-pentanol oxidation in a jet stirred reactor and in laminar flames, Tang et al [6] and Heufer et al [2] studied auto-ignition of this biofuel behind reflected shocks.…”

An Experimental and Kinetic Modeling Study of Pyrolysis and Combustion of Acetone–Butanol–Ethanol (ABE) Mixtures

“…The uniqueness of the methanol reaction mechanism is the limited CH 3 formation with a prevailing H radical path with branching reactions. Figure 11(a) shows the comparison of model predictions and the experimental measurements of Liu et al (2011) for n-butanol at 1 atm and 2 atm. The flame speeds at 298 K and 1 atm of pure acetone in air were measured in a spherical bomb, and Pichon et al (2009)measured a maximum flame speed of $35 c m s À1 at U ¼ 1.15.…”

Intermediate species measurement during iso-butanol auto-ignition

“…Previous experiments on iso-butanol have been performed in flames [3][4][5][6][7], jet stirred reactors (JSR) [8], and shock tubes [9][10][11][12][13][14][15], providing kinetics targets for the development of iso-butanol kinetics mechanisms [8][9][10][16][17][18][19]. Experiments have also been performed in rapid compression machines, although the acquired ignition delay times [20] reaction network for iso-butanol oxidation, especially the pathways involving oxygen addition to fuel radicals [22].…”