The Modelling of Gasphase Aromatisation in the Pyrolysis of Hydrocarbons (Part II)

Stabel, U.; Ederer, H. J.; Ebert, Klaus

doi:10.1002/bbpc.19860901114

Cited by 3 publications

(4 citation statements)

References 13 publications

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“…Reaction models for the propane pyrolysis were developed by Allara and Edelson (1975) and by Hautman et al (1981). In this work a reaction model was used, which is based on an already existing mechanism for the pyrolysis of n-hexane in a static reactor (Stabel, 1986). It is the reduced form of the comprehensive model containing the appropriate set of elementary reactions (ER) which has proved to be important for propane decomposition.…”

Section: Resultsmentioning

confidence: 99%

“…An additional aim is to determine quantitatively the freeradical concentrations by chemical methods. Knowledge about radical concentrations is needed for setting up models of complex reaction systems (Stabel et al, 1986;Maas et al, 1987).…”

mentioning

confidence: 99%

“…A reaction model based on a radical chain mechanism involving 182 elementary reactions and 25 different chemical species is used to simulate the kinetics of product formation of the propane pyrolysis. The reaction model is an unchanged subset of a reaction model for re-hexane from earlier work (Stabel, 1986).…”

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confidence: 99%

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Detection and identification of free radicals in hydrocarbon pyrolysis by an iodine trapping method

Schmich¹,

Ederer²,

Ebert³

1992

Ind. Eng. Chem. Res.

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Section: Resultsmentioning

confidence: 99%

mentioning

confidence: 99%

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Detection and identification of free radicals in hydrocarbon pyrolysis by an iodine trapping method

Schmich¹,

Ederer²,

Ebert³

1992

Ind. Eng. Chem. Res.

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“…The influence of butadiene on the formation of cyclic products was investigated in detail in [24,261. As soon as steady-state concentrations of butadiene were reached, a constant formation rate of benzene, toluene, ethyl benzene and styrene was obtained.…”

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confidence: 99%

Thermal decomposition of 2, 3‐dimethyl butane: Experiments and mechanistic modelling

Stabel¹,

Hönig²,

Nowak³

et al. 1990

Chem Eng & Technol

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Pyrolysis of 2,3-dimethyl butane (DMB) was carried out in a quartz flow reactor in the temperature range from 740 to 1032 K at normal pressure. The input concentration of DMB was 3.3 x mol/l using argon as diluent. Reaction time ranged between 3.1 and 3.9 s. The following products were analyzed by two-column gas chromatography: hydrogen, methane, ethene, propane, propene, butenes, butadiene, 2-methyl-2-butene, isoprene, benzene and toluene. Compared to thermal decomposition of n-hexane under similar experimental conditions, the main difference concerned the formation of ethylene, ethane and branched alkanes. A reaction model, based on elementary reactions, was developed to predict the experimental results and to verify our data basis of elementary reactions under different conditions. The model gives a quantitative description of the complex chemistry of the process. In addition, an algorithm is presented for model reduction. IntroductionThermal cracking of light naphtha feedstock is the most important process for producing olefins and diolefins. Production processes and equipment are designed on a purely empirical basis, mainly because a more profound knowledge of what happens on the molecular level is lacking. In this field, mechanistic modelling could help to predict, at least approximately, the reaction rates and product distribution of the complex chemical reaction system including its dynamics [32].In previous work [Z, 111, models were developed for the thermal degradation of n-hexane as an example of linear hydrocarbons. Up to 600 elementary reactions (ER) were needed to describe reaction rates and the formation of products up to high conversions. Moreover, with this model, the experimental results of pyrolysis of alkenes and n-hexane mixtures could be predicted. The experiments were carried out to investigate inhibition and acceleration effects on the overall reaction. This contribution presents an investigation on the pyrolysis of branched hydrocarbons. As a model substance, 2,3-dimethyl butane was used to investigate the influence of branched chain structures on decomposition. It was expected that, compared to nhexane, the decay mechanism of DMB would be less complex. Another aim was to test parts of our data basis of elementary reactions under conditions where C,-hydrocarbons are less important.It is generally accepted that thermal decomposition of hydrocarbons follows a radical reaction mechanism according to the Rice-Herzfeld scheme. The work of Niclause and Martin shows clearly that molecular reaction steps are of no importance whatsoever in thermal cracking [S, 61. Today, ESR and MS offer analytical tools to identify radical intermediates resulting from homolytic dissociation of C-C and C-H bonds. Capillary gas chromatography has reached a standard of development such that stable intermediate products can be quantitatively evaluated even in very small quantities 1261. Therefore, more and more precise experimental data become available which can be used for the development and verification of reacti...

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Rearrangement reactions in the thermal formation of aromatics from cycloolefins. 14C-labelling studies

Kopinke

Ondruschka

Zimmermann

et al. 1988

Journal of Analytical and Applied Pyrolysis

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The Modelling of Gasphase Aromatisation in the Pyrolysis of Hydrocarbons (Part II)

Cited by 3 publications

References 13 publications

Detection and identification of free radicals in hydrocarbon pyrolysis by an iodine trapping method

Detection and identification of free radicals in hydrocarbon pyrolysis by an iodine trapping method

Thermal decomposition of 2, 3‐dimethyl butane: Experiments and mechanistic modelling

Rearrangement reactions in the thermal formation of aromatics from cycloolefins. 14C-labelling studies

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