Low temperature oxidation in a stirred flow reactor—II. Acetaldehyde (theory)

Felton, P. G.; Gray, B.F.; Shank, Norman E.

doi:10.1016/0010-2180(76)90041-9

Cited by 27 publications

(16 citation statements)

References 8 publications

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“…The detailed interpretation of these observations will take time. The broad outlines are consistent with the simplified kinetic scheme [17] and the CSTR treatment [19]. The most important conclusion is the simplestthat after decades of failure to model oscillatory cool flames isothermally, thermokinetic interpretations of the most basic kind can bring order into their complexity and relationships with other instabilities, whilst reaction schemes built on entirely independent data already give good quantitative agreement with observation.…”

Section: (Low T and P)supporting

confidence: 67%

“…They compare heat production curves with preliminary experiments, and construct the thermal diagram. Agreement is encouraging but incomplete, partly because their experimental study [19] was not taken far.…”

Section: Simplified Versions Of Detailed Schemementioning

confidence: 99%

“…In a subsequent study of the same, simplified scheme Felton, Gray, and Shank [19] translate the circumstances to those of an open, well-stirred reactor. They first investigate the stationary states by enumerating the singular points (in 3 dimensions) and determining their nature (the characteristic equation is a cubic).…”

Section: Simplified Versions Of Detailed Schemementioning

confidence: 99%

“…Work at Leeds on acetaldehyde was inaugurated by B. F. Gray and Felton [19]. Their studies have now been greatly extended and it is this new work in open systems [2l] that I shall describe today.…”

Section: Cool Flames In Acetaldehyde In An Open Stirred Reactor: Appamentioning

confidence: 99%

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Thermokinetic Oscillations in Gaseous Systems

Gray

1980

Ber Bunsenges Phys Chem

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This plenary lecture is a response to the Organizing Committee's request for a survey (i) of some of our own research in the field of oscillatory oxidation processes and (ii) of thermokinetic oscillations in a wider context. I shall accordingly deal with those systems in which the oscillatory behaviour springs from true reaction kinetic flexibility [1, 2] plus thermal feedback, rather than with those thermochemical oscillations [3] that really owe their existence wholly to sustained flow. Accordingly, the principal experimental themes to be pursued are (i) the oscillations found in the oxidation of hydrocarbons and related organic species, including the famous oscillatory cool flames, and (ii) the oscillatory oxidation of “wet” carbon monoxide. Both these reactions show oscillatory behaviour in closed vessels [1], so they are not simply artefacts of flowing conditions, but I shall here dwell on newer results that we have found in open systems. That will prompt some observations on the relationships between thermodynamically closed and open systems, and later raise some general questions about definitions or at least about more careful use of common terms (and a plea to do away with jargon).

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Section: (Low T and P)supporting

confidence: 67%

Section: Simplified Versions Of Detailed Schemementioning

confidence: 99%

Section: Simplified Versions Of Detailed Schemementioning

confidence: 99%

Section: Cool Flames In Acetaldehyde In An Open Stirred Reactor: Appamentioning

confidence: 99%

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Thermokinetic Oscillations in Gaseous Systems

Gray

1980

Ber Bunsenges Phys Chem

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“…The first quantitative relationships between numerical and experimental studies were established by Felton et al (1976) who ad the simulation of reaction in a non-adiabatic cstr of Halstead et al (1971Halstead et al ( , 1973. Sustained oscillatory cool flames were predicted to exist under conditions close to those found experimentally by them in ethanal oxidation.…”

Section: Introductionmentioning

confidence: 99%

Numerical studies of a thermokinetic model for oscillatory cool flame and complex ignition phenomena in ethanal oxidation under well-stirred flowing conditions

1989

Proc. R. Soc. Lond. A

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A numerical study has been undertaken to predict quantitatively each of the non-isothermal reaction modes (stationary-state reaction, oscillatory cool flames and oscillatory two-stage and multiple-stage ignitions) associated with the oxidation of ethanal in a non-adiabatic well-stirred flow system (0.5 dm 3 ) at a mean residence time of 3 s. The kinetic scheme comprises 28 species involved in 60 reactions and it is coupled to the thermal characteristics through enthalpy change in each step, heat capacities of the major components and a heat transfer coefficient appropriate to heat loss through the reaction vessel wall. Spatial uniformity of temperature and concentrations is assumed, matching the experimental conditions. Very satisfactory accord is obtained between the experimentally measured and predicted location of the different reaction modes in the ( p - T a ) ignition diagram (where p is pressure and T a is temperature at ambient conditions), and the time-dependent patterns for oscillatory reaction agree with experimental measurements. The competition between degenerate branching and non-branching reaction modes is governed ultimately by the equilibrium CH 3 +O 2 ⇌CH 3 O 2 . The predicted behaviour is found also to be especially sensitive to the rate of decomposition of the acetyl radical CH 3 CO + M → CH 3 + CO + M. Corrections for its pressure dependence are essential if the predicted form of the oscillatory cool flame region in the ( p - T a ) diagram is to match the experimental results. Variations of the rate of this reaction also give new kinetic insight into the origins of complex oscillatory wave-forms for cool flames that have been observed experimentally. Relationships between the results of the detailed kinetic computations and the predictions from a three-variable, thermokinetic model are examined. This model is the simplest of all reduced schemes that makes successful predictions of two-stage ignition phenomena.

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The Fundamentals of Spontaneous Ignition of Gaseous Hydrocarbons and Related Organic Compounds

Griffiths

1986

Advances in Chemical Physics

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Low temperature oxidation in a stirred flow reactor—II. Acetaldehyde (theory)

Cited by 27 publications

References 8 publications

Thermokinetic Oscillations in Gaseous Systems

Thermokinetic Oscillations in Gaseous Systems

Numerical studies of a thermokinetic model for oscillatory cool flame and complex ignition phenomena in ethanal oxidation under well-stirred flowing conditions

The Fundamentals of Spontaneous Ignition of Gaseous Hydrocarbons and Related Organic Compounds

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