Oxidation of pentan-2-ol – part II: Experimental and modeling study

Abstract

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Comparative study of the high‐temperature auto‐ignition of cyclopentane and tetrahydrofuran

“…The impact of the pressure rise on ignition delay times has been discussed elsewhere. 21,22 A negative heat loss (i.e. a heat gain) of −20 cal s −1 < .…”

“…For the longest ignition delay times, a pressure rise was observed between the reflected shock and the auto‐ignition. The impact of the pressure rise on ignition delay times has been discussed elsewhere 21,22 . A negative heat loss (i.e.…”

Theoretical investigation on isomerization and decomposition reactions of pentanol radicals–part II: linear pentanol isomers

“…Experimental data related to pentanol usually focus on the measurement of a speciation profile during the oxidation process, 3,11,[14][15][16] which describes the oxidation process from a micro aspect. In addition, the ignition delay times 5,11,15,17 and laminar burning velocity 6,7,18,19 of pentanol also receive attention, because these two combustion characteristics can serve as benchmarks for the validation of a kinetic model. Meanwhile, several mechanisms 3,4,[6][7][8][9][10][11][12][13][14][15][16][17][18][19] for linear pentanols have been proposed via experimental data or theoretical investigations, which have been validated against measurements in shock tubes, rapid compression machines, jet-stirred reactors, and premixed laminar flames under a wide range of conditions.…”

“…In addition, the ignition delay times 5,11,15,17 and laminar burning velocity 6,7,18,19 of pentanol also receive attention, because these two combustion characteristics can serve as benchmarks for the validation of a kinetic model. Meanwhile, several mechanisms 3,4,[6][7][8][9][10][11][12][13][14][15][16][17][18][19] for linear pentanols have been proposed via experimental data or theoretical investigations, which have been validated against measurements in shock tubes, rapid compression machines, jet-stirred reactors, and premixed laminar flames under a wide range of conditions. The pyrolysis of linear pentanol can produce a large amount of radicals when the C-C, C-O, C-H, or O-H bonds break, and after a short induction period the chemistry is mainly driven by abstraction reactions mostly by : H, : CH 3 , and : OH radicals under practically relevant conditions, producing different linear pentanol radical isomers.…”

Oxidation of C5 esters: Influence of the position of the ester function

“…With the growing interest on higher alcohols, [8][9][10][11][12][13] esters with higher energy content can be produced and burned in engines for ground transportation, especially diesel engines. 14,15 Therefore, this paper focuses on the influence of the position of the ester function along the carbon chain, as depicted in Table 1, and highlights the importance of the nature of the products formed by the different molecular reactions in terms of global reactivity or product TA B L E 1 Chemical structure of C 5 esters, heat of formation (kcal mol -1 ), and entropy (cal mol -1 K - distribution.…”