Controlled Thermolytic Dissociation of Hexadecane and Methyl Decanoate

Groenendyk, Herbert; Levy, E. J.; Sarner, Stanley F.

doi:10.1093/chromsci/8.3.115

Cited by 14 publications

(12 citation statements)

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“…The values of activation energy and frequency factor were as follows: quartz reactor, E = 57 kcal mol"1; A = 9.6 X 1013 s'1. Comparison of the values of activation energy and frequency factor with those of Voge and Good (1949), Tilicheev and Zimina (1956), Panchenkov and Baranov (1958), Doue and Guiochon (1968), and Groenendyk et al (1970), where E varied from 55 to 60 kcal mol"1 and A from 3 X 1013 s"1 to 1 X 1015 s"1, shows satisfactory agreement with our experimental results.…”

Section: Resultssupporting

confidence: 86%

“…The kinetics of cracking of n-hexadecane has been studied by Voge and Good (1949), Tilicheev and Zimina (1956), Panchenkov and Baranov (1958), Fabuss et al (1962Fabuss et al ( ,1964, Panchenkov et al (1964), Doue and Guiochon (1968,1969), Groenendyk et al (1970), and Rebick (1979and Rebick ( , 1980and Rebick ( ,1981 either in a batch reactor or in a flow reactor. The temperature range was 500-700 °C and the pressure range 0.5-100 atm.…”

mentioning

confidence: 99%

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Pure n-hexadecane thermal steam cracking

Depeyre¹,

Flicoteaux²,

Chardaire³

1985

Ind. Eng. Chem. Proc. Des. Dev.

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Section: Resultssupporting

confidence: 86%

mentioning

confidence: 99%

Pure n-hexadecane thermal steam cracking

Depeyre¹,

Flicoteaux²,

Chardaire³

1985

Ind. Eng. Chem. Proc. Des. Dev.

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“…The activation energy E a obtained in this work was compared with previous experimental results. The reported activation energy of pyrolysis of hexadecane varies from 115.5 to 309.8 kJ/mol, ,, as shown in Table . It can be seen that the activation energy declines with the increasing temperatures.…”

Section: Results and Discussionmentioning

confidence: 99%

High-Temperature and High-Pressure Pyrolysis of Hexadecane: Molecular Dynamic Simulation Based on Reactive Force Field (ReaxFF)

2017

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As important products of heavy oil pyrolysis, heavier components such as gasoline and diesel supply the vast majority of energy demand through combustion, and lighter components such as ethylene and propylene are the main sources of industrial chemicals and plastic products. In this work, pyrolysis of hexadecane, as the model compound, was studied by reactive force field (ReaxFF) molecular simulation at high temperatures and high pressures. It was confirmed by unimolecular simulations that there exist eight different initial mechanisms all starting with C-C bond dissociation. The biradical mechanism was verified, through which the pyrolysis process can be accomplished within a shorter time. The enthalpy of reaction was calculated by the QM method, which was well consistent with ReaxFF calculation results. Multimolecular simulations showed that there is a strong dependency relationship between products distribution and temperature, as well as that between reaction rates and temperature. The optimal condition for ethylene formation in our work is 11.6 MPa and 2000 K, whereas it is best for hydrogen formation at conditions of 11.6 MPa and 3500 K. Kinetic analysis was performed with the activation energy of 113.03 kJ/mol and pre-exponential factor of 4.55 × 10, and it is in good agreement with previous work.

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“…There have been a number of publications on hexadecane cracking, mostly under high pressures (Figure 5), and some authors (Groenendyk et al, 1970;Rebick, 1981) indicated that the thermolytic dissociation of hexadecane gave methane, ethane, propane, and a series of 1-alkenes containing 2-15 carbon atoms. The productions of a range of successive 1-alkenes from atmospheric thermolysis of nonane, dodecane, and hexadecane and their mixtures with tridecane and docosane are reported here for the first time (Tables I and II).…”

Section: Resultsmentioning

confidence: 99%