Encyclopedia entry
Mechanistic Analysis of n-Propylcyclohexane and n-Butylcyclohexane Oxidation in Low Temperature Regime
US Combustion Meeting, 10, pp.73-79
01 Jan 2017
Abstract
The Pressurized Flow Reactor (PFR) facility at Drexel University was used to study the low temperature oxidation of n-Propylcyclohexane (n-PCH). Natelson reported data on n-Butylcyclohexane (n-BCH) reactivity in the same PFR, so comparisons with the new n-PCH results can be made. n-PCH (C9H18) and n-BCH (C10H20) are alkylated cycloalkanes with nearly identical chemical structures, except that n-BCH contains an additional carbon on its side chain. Both are possible components for surrogates of real fuels, which in turn requires adequate chemical kinetic mechanism for these components. Currently, there exist semi-detailed and detailed chemical mechanisms for n-BCH low temperature oxidation; however, low temperature oxidation experimental studies and mechanisms for n-PCH are scarce. An analysis and comparison of n-PCH and n-BCH can be utilized to propose and evaluate a n-PCH low temperature oxidation chemical mechanism. The experimental conditions studied were: temperature of 550-850 K; pressure of 8.0 atm; residence time of 120 ms. The initial hydrocarbon mole fractions were: 824 ppm for n-PCH and 1082 ppm for n-BCH. The stable intermediates were extracted from the PFR and then identified and quantified using a Gas Chromatograph/Mass Spectrometer (GC/MS) with a Flame Ionization Detector (FID). Carbon monoxide (CO) levels were measured online to monitor fuel reactivity and map the Negative Temperature Coefficient (NTC) regime. NTC start, as indicated by maximum CO and minimum O2 mole fractions, was at approximately 690 K for n-PCH and 670 K for n-BCH. Linear alkene production peaked in the NTC regime at approximately 700 K and 715 K for n-PCH and n-BCH, respectively. Other stable intermediates that peaked in the NTC regime for both n-PCH and n-BCH included cycloalkenes, aldehydes, and ketones.
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Details
- Title
- Mechanistic Analysis of n-Propylcyclohexane and n-Butylcyclohexane Oxidation in Low Temperature Regime
- Creators
- Julius A CorrubiaNicholas P CernanskyDavid L Miller
- Publication Details
- US Combustion Meeting, 10, pp.73-79
- Conference
- US Combustion Meeting, 10, 10th
- Publisher
- WTI-Frankfurt-digital GmbH
- Number of pages
- 1
- Resource Type
- Encyclopedia entry
- Language
- English
- Academic Unit
- Mechanical Engineering and Mechanics; [Retired Faculty]
- Identifiers
- 991019174045704721