Mathematical model of obtaining a hydrocarbon fuel based on the fischer­tropsch pathway in a stationary layer of the cobalt­based catalyst

Authors

DOI:

https://doi.org/10.15587/1729-4061.2018.134165

Keywords:

Fischer-Tropsch reaction, cobalt catalyst, inverse problem of kinetics, rate constant

Abstract

Studying the kinetics of the Fischer-Tropsch process is a rather important task, since this process is very sensitive to the temperature mode, as well as to the characteristics of the catalyst. In addition, a given process is accompanied by many side reactions that negatively affect the rate and selectivity of the reaction. The Fischer-Tropsch synthesis is an alternative source for obtaining high-quality fuel from coal or biomass rather than petroleum. Therefore, investigating the kinetics of the Fischer-Tropsch reaction, in order to improve the selectivity and activity of catalysts, and to determine the rate constants of chemical reactions, is a relevant problem.

The choice of the catalyst is one of the main factors affecting the quality and product yield for the Fischer-Tropsch synthesis. We fabricated two samples of cobalt catalysts for conducting the experiments. The first sample of the catalyst Со/γ-Al2O3 contains cobalt nanoparticles of the same size. The second sample of the catalyst (Со)/γ-Al2O3 was obtained by the method of impregnating the carrier with a solution of cobalt nitrate. The catalyst, obtained through the method of impregnation of (Со)/γ-Al2O3, demonstrated a higher activity, larger by an order of magnitude than the monodispersed catalysts. However, the monodispersed catalyst showed high selectivity for the lower hydrocarbons.

In order to calculate the kinetics of the Fischer-Tropsch process and to find the reaction rate constants, we developed a software module in the programming environment MS Visual Studio 2017 in the programming language C# using the .NET Framework v4.6 technologies.

By using the developed program module, we calculated reaction rate constants of the Fischer-Tropsch process. After analyzing the data obtained, one can see that the relative error is within 2…3 %, demonstrating the adequacy of the proposed model to solve the inverse problem of chemical kinetics. Therefore, we can state that a given model for the calculation of rate constants could be applied to study the Fischer-Tropsch process.

Author Biographies

Yurii Zakharchuk, National Technical University of Ukraine “Igor Sikorsky Kyiv Polytechnic Institute” Permohy ave., 37, Kyiv, Ukraine, 03056

Department of Cybernetics Chemical Technology Processes

Yurii Beznosyk, National Technical University of Ukraine “Igor Sikorsky Kyiv Polytechnic Institute” Permohy ave., 37, Kyiv, Ukraine, 03056

PhD, Associate Professor

Department of Cybernetics Chemical Technology Processes

Liudmyla Bugaieva, National Technical University of Ukraine “Igor Sikorsky Kyiv Polytechnic Institute” Permohy ave., 37, Kyiv, Ukraine, 03056

PhD, Associate Professor

Department of Cybernetics Chemical Technology Processes

References

  1. Mordkovich, V. Z., Sineva, L. V., Kul'chakovskaya, E. V., Asalieva, E. Yu. (2015). Chetyre pokoleniya tekhnologii polucheniya sinteticheskogo zhidkogo topliva na osnove sinteza Fishera-Tropsha. Kataliz v neftepererabatyvayushchey promyshlennosti, 15 (5), 23–45.
  2. Slivinskiy, E. V., Kuz'min, A. E., Abramova, A. V., Kliger, G. A., Loktev, S. M. (1998). Sintez Fishera-Tropsha: sovremennoe sostoyanie i principy sozdaniya katalizatorov (obzor). Neftekhimiya, 38, 243–268.
  3. Dry, M. E.; Anderson, R. B., Boudard, M. (Eds.) (1981). The Fischer–Tropsch Synthesis. Catalysis, Science and Technology, 1, 159–256.
  4. Schulz, H. (1999). Short history and present trends of Fischer–Tropsch synthesis. Applied Catalysis A: General, 186 (1-2), 3–12. doi: 10.1016/s0926-860x(99)00160-x
  5. Krylov, O. V. (2004). Geterogennyy kataliz. Moscow, 679.
  6. Lapidus, A. L., Krylova, A. Yu. (2000). O mekhanizme obrazovaniya zhidkih uglevodorodov iz CO i H2 na kobal'tovyh katalizatorah. Rossiyskiy himicheskiy zhurnal, 44 (1), 43–56.
  7. Rofer-DePoorter, C. K. (1981). A comprehensive mechanism for the Fischer-Tropsch synthesis. Chemical Reviews, 81 (5), 447–474. doi: 10.1021/cr00045a002
  8. Brunner, K. M., Duncan, J. C., Harrison, L. D., Pratt, K. E., Peguin, R. P. S., Bartholomew, C. H., Hecker, W. C. (2012). A Trickle Fixed-Bed Recycle Reactor Model for the Fischer-Tropsch Synthesis. International Journal of Chemical Reactor Engineering, 10 (1). doi: 10.1515/1542-6580.2840
  9. Tristantini, D., Lögdberg, S., Gevert, B., Borg, Ø., Holmen, A. (2007). The effect of synthesis gas composition on the Fischer–Tropsch synthesis over Co/γ-Al2O3 and Co–Re/γ-Al2O3 catalysts. Fuel Processing Technology, 88 (7), 643–649. doi: 10.1016/j.fuproc.2007.01.012
  10. Davis, B. H. (2007). Fischer−Tropsch Synthesis: Comparison of Performances of Iron and Cobalt Catalysts. Industrial & Engineering Chemistry Research, 46 (26), 8938–8945. doi: 10.1021/ie0712434
  11. Patzlaff, J., Liu, Y., Graffmann, C., Gaube, J. (1999). Studies on product distributions of iron and cobalt catalyzed Fischer–Tropsch synthesis. Applied Catalysis A: General, 186 (1-2), 109–119. doi: 10.1016/s0926-860x(99)00167-2
  12. Patzlaff, J., Liu, Y., Graffmann, C., Gaube, J. (2002). Interpretation and kinetic modeling of product distributions of cobalt catalyzed Fischer–Tropsch synthesis. Catalysis Today, 71 (3-4), 381–394. doi: 10.1016/s0920-5861(01)00465-5
  13. Zhou, L., Froment, G. F., Yang, Y., Li, Y. (2016). Advanced fundamental modeling of the kinetics of Fischer-Tropsch synthesis. AIChE Journal, 62 (5), 1668–1682. doi: 10.1002/aic.15141
  14. Sun, Y., Yang, G., Zhang, L., Sun, Z. (2017). Fischer-Tropsch synthesis in a microchannel reactor using mesoporous silica supported bimetallic Co-Ni catalyst: Process optimization and kinetic modeling. Chemical Engineering and Processing: Process Intensification, 119, 44–61. doi: 10.1016/j.cep.2017.05.017
  15. Arsalanfara, M., Mirzaeib, A. A., Bozorgzadehc, H. R., Samimid, A. (2014). A review of Fischer-Tropsch synthesis on the cobalt based catalysts. Phys. Chem. Res., 2 (2), 179–201.
  16. Mosayebi, A., Haghtalab, A. (2015). The comprehensive kinetic modeling of the Fischer–Tropsch synthesis over Co@Ru/γ-Al2O3 core–shell structure catalyst. Chemical Engineering Journal, 259, 191–204. doi: 10.1016/j.cej.2014.07.040
  17. Mosayebi, A., Abedini, R. (2017). Detailed kinetic study of Fischer – Tropsch synthesis for gasoline production over Co Ni/HZSM-5 nano-structure catalyst. International Journal of Hydrogen Energy, 42 (44), 27013–27023. doi: 10.1016/j.ijhydene.2017.09.060
  18. Pyatnickiy, Yu. I., Lunev, N. K. (2001). Kineticheskoe modelirovanie processa Fishera-Tropsha. Kataliz i neftekhimiya, 9-10, 1–4.
  19. Skoretska, I., Beznosyk, Y. (2017). Modeling the heterogeneous catalytic recovery processes of aldehydes and ketones. Eastern-European Journal of Enterprise Technologies, 3 (6 (87)), 36–43. doi: 10.15587/1729-4061.2017.99755
  20. Bezdenezhnyh, A. A. (1973). Inzhenernye metody sostavleniya uravneniy skorostey reakciy i rascheta kineticheskih konstant. Leningrad: Himiya, 256.
  21. Zakharchuk, Y., Beznosyk, Y. (2018). Research and modeling of the heterogeneous process of production the hydrocarbon fuel according to the Fischer-Tropsch scheme. 6th International Scientific-Practical Conference "Modeling and simulation for chemistry, technologies and sustainable development systems – MSCT-6". Kyiv, 139–145.

Downloads

Published

2018-06-19

How to Cite

Zakharchuk, Y., Beznosyk, Y., & Bugaieva, L. (2018). Mathematical model of obtaining a hydrocarbon fuel based on the fischer­tropsch pathway in a stationary layer of the cobalt­based catalyst. Eastern-European Journal of Enterprise Technologies, 3(6 (93), 60–70. https://doi.org/10.15587/1729-4061.2018.134165

Issue

Vol. 3 No. 6 (93) (2018): Technology organic and inorganic substances

Section

Technology organic and inorganic substances

License

Copyright (c) 2018 Yurii Zakharchuk, Yurii Beznosyk, Liudmyla Bugaieva

Creative Commons License

This work is licensed under a Creative Commons Attribution 4.0 International License.

The consolidation and conditions for the transfer of copyright (identification of authorship) is carried out in the License Agreement. In particular, the authors reserve the right to the authorship of their manuscript and transfer the first publication of this work to the journal under the terms of the Creative Commons CC BY license. At the same time, they have the right to conclude on their own additional agreements concerning the non-exclusive distribution of the work in the form in which it was published by this journal, but provided that the link to the first publication of the article in this journal is preserved.

A license agreement is a document in which the author warrants that he/she owns all copyright for the work (manuscript, article, etc.).
The authors, signing the License Agreement with TECHNOLOGY CENTER PC, have all rights to the further use of their work, provided that they link to our edition in which the work was published.
According to the terms of the License Agreement, the Publisher TECHNOLOGY CENTER PC does not take away your copyrights and receives permission from the authors to use and dissemination of the publication through the world's scientific resources (own electronic resources, scientometric databases, repositories, libraries, etc.).
In the absence of a signed License Agreement or in the absence of this agreement of identifiers allowing to identify the identity of the author, the editors have no right to work with the manuscript.
It is important to remember that there is another type of agreement between authors and publishers – when copyright is transferred from the authors to the publisher. In this case, the authors lose ownership of their work and may not use it in any way.