Shock tube measurements of high temperature rate constants for OH with cycloalkanes and methylcycloalkanes

Sivaramakrishnan, R.; Michael, J.V.

doi:10.1016/j.combustflame.2008.10.010

Cited by 61 publications

(61 citation statements)

References 40 publications

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“…Also, there are additional specific updates of the MCH mechanism. The abstraction reactions from MCH are replaced using recent experimentally measured values (Sivaramakrishnan et al 2009) and standardized using the latest LLNL reaction rate rules (Sarathy et al 2011). The previous 2007 MCH model lumped many of unsaturated ring products of MCH.…”

Section: Mechanism Developmentmentioning

confidence: 99%

Experiments and modeling of the autoignition of methylcyclohexane at high pressure

Weber

Pitz

Mehl

et al. 2014

Combustion and Flame

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The autoignition delays of mixtures of methyl-cyclohexane (MCH), oxygen, nitrogen, and argon have been studied in a heated rapid compression machine under the conditions = 50 bar, = 690 − 910K. Three different mixture compositions were studied, with equivalence ratios ranging from = 0.5 − 1.5. The trends of the ignition delay measured at 50 bar were similar to the trends measured in earlier experiments at = 15.1 and 25.5 bar. The experimentally measured ignition delays were compared to a newly updated chemical kinetic model for the combustion of MCH. The model has been updated to include newly calculated reaction rates for much of the low-temperature chemistry. The agreement between the experiments and the model was substantially improved compared to a previous version of the model. Nevertheless, despite the encouraging improvements, work continues on further advances, e.g. in improving predictions of the first stage ignition delays.

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Section: Mechanism Developmentmentioning

confidence: 99%

Experiments and modeling of the autoignition of methylcyclohexane at high pressure

Weber

Pitz

Mehl

et al. 2014

Combustion and Flame

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“…Interestingly, although cyclopentane has shorter ignition delay times and lower concentration than toluene in MCS, the overall reactivity (or OH concentration) is more sensitive to cyclopentane than toluene. This is probably due to the presence of 10 secondary hydrogen atoms in cyclopentane which makes the H-abstraction by OH radical faster [39][40][41][42] and thereby strongly affects the radical pool and overall reactivity at low temperatures. We showed in our previous work [28] that replacing toluene by cyclopentane in a TPRF blend leads to a noticeable increase in IDTs at low and intermediate temperatures.…”

Section: Chemical Kinetic Analysismentioning

confidence: 99%

Ignition delay measurements of a low-octane gasoline blend, designed for gasoline compression ignition (GCI) engines

Alabbad

Badra

Djebbi

et al. 2019

Proceedings of the Combustion Institute

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A blend of low-octane (light and heavy naphtha) and high-octane (reformate) distillate fuels has been proposed for powering gasoline compression ignition (GCI) engines. The formulated 'GCI blend' has a research octane number (RON) of 77 and a motor octane number (MON) of 73.9. In addition to ~ 64 mole% paraffinic components, the blend contains ~ 20 mole% aromatics and ~ 15 mole% naphthenes.Experimental and modelling studies have been conducted in this work to assess autoignition characteristics of the GCI blend. Ignition delay times were measured in a shock tube and a rapid comparison machine over wide ranges of experimental conditions (20 and 40 bar, 640 -1175 K,  = 0.5, 1 and 2). Reactivity of the GCI blend was compared with experimental measurements of two surrogates: a multi-component surrogate (MCS) and a two-component primary reference fuel (PRF 77). Both surrogates capture the reactivity of the fuel quite well at high and intermediate temperatures.The MCS does a better job of emulating the fuel reactivity at low temperatures, where PRF 77 is more reactive than the GCI blend. Ignition delay times of the two surrogates are also simulated using detailed chemical kinetic models, and the simulations agree well with the experimental findings. The results of rate-of-production analyses show important role of cycloalkane chemistry in the overall autoignition behavior of the fuel at low temperatures.

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“…Their results showed the predicted ignition delay times from a recent chemical kinetic model [53] were too long at high pressure (50 atm). Sivaramakrishnan and Michael [59] experimentally measured rate constants for OH radicals with cyclohexane and methylcyclopentane. These rate constants will allow a more accurate description of the consumption reactions for cycloalkanes.…”

Section: Cycloalkanesmentioning

confidence: 99%

Recent progress in the development of diesel surrogate fuels

Pitz

Mueller

2011

Progress in Energy and Combustion Science

636

371

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There has been much recent progress in the area of surrogate fuels for diesel. In the last few years, experiments and modeling have been performed on higher molecular weight components of relevance to diesel fuel such as n-hexadecane (n-cetane) and 2,2,4,4,6,8,8-heptamethylnonane (iso-cetane). Chemical kinetic models have been developed for all the n-alkanes up to 16 carbon atoms. Also, there has been much experimental and modeling work on lower molecular weight surrogate components such as n-decane and n-dodecane that are most relevant to jet fuel surrogates, but are also relevant to diesel surrogates where simulation of the full boiling point range is desired. For two-ring compounds, experimental work on decalin and tetralin recently has been published. For multi-component surrogate fuel mixtures, recent work on modeling of these mixtures and comparisons to real diesel fuel is reviewed. Detailed chemical kinetic models for surrogate fuels are very large in size. Significant progress also has been made in improving the mechanism reduction tools that are needed to make these large models practicable in multidimensional reacting flow simulations of diesel combustion. Nevertheless, major research gaps remain. In the case of iso-alkanes, there are experiments and modeling work on only one of relevance to diesel: iso-cetane. Also, the iso-alkanes in diesel are lightly branched and no detailed chemical kinetic models or experimental investigations are available for such compounds. More components are needed to fill out the iso-alkane boiling point range. For the aromatic class of compounds, there has been no new work for compounds in the boiling point range of diesel. Most of the new work has been on alkyl aromatics that are of the range C7 to C8, below the C10 to C20 range that is needed. For the chemical class of cycloalkanes, experiments and modeling on higher molecular weight components are warranted. Finally for multi-component surrogates needed to treat real diesel, the inclusion of higher molecular weight components is needed in models and experimental investigations.

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Shock tube measurements of high temperature rate constants for OH with cycloalkanes and methylcycloalkanes

Cited by 61 publications

References 40 publications

Experiments and modeling of the autoignition of methylcyclohexane at high pressure

Experiments and modeling of the autoignition of methylcyclohexane at high pressure

Ignition delay measurements of a low-octane gasoline blend, designed for gasoline compression ignition (GCI) engines

Recent progress in the development of diesel surrogate fuels

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