Kinetic parameters for the thermal cracking of simple hydrocarbons: From laboratory to geological time-temperature conditions
| Autor: | Raymond Michels, V. Burklé-Vitzthum, Roda Bounaceur, G. Scacchi, Paul-Marie Marquaire |
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| Přispěvatelé: | Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), GeoRessources, Institut national des sciences de l'Univers (INSU - CNRS)-Centre de recherches sur la géologie des matières premières minérales et énergétiques (CREGU)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS) |
| Jazyk: | angličtina |
| Rok vydání: | 2017 |
| Předmět: |
Arrhenius equation
Extrapolation Thermodynamics 02 engineering and technology Rate equation Activation energy 021001 nanoscience & nanotechnology Kinetic energy Analytical Chemistry chemistry.chemical_compound Cracking symbols.namesake Fuel Technology 020401 chemical engineering chemistry 13. Climate action symbols [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering Tetralin 0204 chemical engineering Methylcyclohexane 0210 nano-technology ComputingMilieux_MISCELLANEOUS |
| Zdroj: | Journal of Analytical and Applied Pyrolysis Journal of Analytical and Applied Pyrolysis, Elsevier, 2017, 125, pp.40-49. ⟨10.1016/j.jaap.2017.04.020⟩ |
| ISSN: | 0165-2370 1873-250X |
| DOI: | 10.1016/j.jaap.2017.04.020⟩ |
| Popis: | Apparent kinetic parameters (frequency factor A and activation energy E a ) were computed at 700 bar and two temperatures: 200 °C, a characteristic of deeply buried reservoirs of petroleum and 400 °C an average temperature used for laboratory pyrolysis to simulate thermal cracking of petroleum. Several hydrocarbons were studied by simulation: several linear alkanes and one branched alkane, toluene, 2-methylnaphthalene, 1-,3-,5-trimethylbenzene, methylcyclohexane, butylcyclohexane, tetralin and decylbenzene. The calculations were performed using detailed kinetic models (mostly free-radical mechanisms) previously constructed. The computation of E a does not depend on the global rate law, but we assumed a first-order reaction law to compute A . The apparent kinetic parameters of all hydrocarbons are slightly modified by temperature and rather strongly for tetralin and decylbenzene. The deviation, due to the use of Arrhenius law with the apparent kinetic parameters computed at 400 °C for extrapolation to geological temperature, is important in most cases, even if the kinetic parameters do not strongly depend on temperature. In this study, most hydrocarbons appear more stable at 200 °C than it could be inferred by using the extrapolation of the Arrhenius law from 400 °C to 200 °C, except for tetralin and decylbenzene which appear more reactive. The apparent kinetic parameters that were computed at 200 °C could be implemented in global kinetic models used for the assessment of reservoirs. |
| Databáze: | OpenAIRE |
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