A wide-range modeling study of iso-octane oxidation

Shock tube measurements of iso-octane ignition times and OH concentration time histories

“…Initial shock conditions: 0.5% iso-octane, 6.25% O 2 1.3 atm. Filled squares, current study; thin solid line, fit to data with E A ‫ס‬ 43.9 kcal/mol; solid line, Davis and Law [9]; dashed line, Ranzi et al [10]; dot-dashed line, Pitsch et al [8]; dot-dot-dashed line, Curran et al [7]. [4]; open triangle, Vermeer et al [3]; open circle, Burcat et al [2]; solid line (all data normalized to 1.3 atm by P ‫65.0מ‬ ), Davis and Law [9]; dashed line, Ranzi et al [10]; dot-dashed line, Pitsch et al [8]; dot-dot-dashed line, Curran et al [7].…”

“…This is not an oversight on the part of these mechanism development studies (see, for example, Refs. [7][8][9][10]); these data simply do not exist for larger fuel molecules, yet they are urgently needed if the predictive ability of these mechanisms is to be tied to the actual kinetics of the radical pool population.…”

“…In this paper, we will examine three of these mechanisms: Curran et al [7], Pitsch et al [8], and Davis and Law [9], as well as a mechanism developed separately in Europe by Ranzi et al [10].…”

“…(See Ref. [10] for further details.) The need to form smaller mechanisms by reducing the number of species and reactions, and therefore making these mechanisms more amenable to use in full engine calculations, must be tempered by the need to accurately capture the important engineering characteristics of the fuel.…”

A comprehensive modeling study of iso-octane oxidation

“…Ranzi et al [15] used a semidetailed model to simulate the oxidation of PRF mixtures. This mechanism was further used to perform a wide range simulation of iso-octane oxidation [26]. Roberts et al [27] developed a semi-detailed kinetic mechanism to simulate autoignition experiments in a cooperative fuels research engine.…”