Kinetic modeling of Fischer-Tropsch synthesis on bimetallic Fe-Co catalyst with phenomenological based approaches

M. Shiva; H. Atashi; F. Farshchi Tabrizi; A.A. Mirzaei

Journal of Industrial and Engineering Chemistry, Vol.18, No.3, 1112-1121, May, 2012

DOI10.1016/j.jiec.2012.01.002 Export Citation

Kinetic modeling of Fischer-Tropsch synthesis on bimetallic Fe-Co catalyst with phenomenological based approaches

M. Shiva^†, H. Atashi, F. Farshchi Tabrizi, and A.A. Mirzaei¹

Department of Chemical Engineering, University of Sistan and Baluchestan, P.O. Box 98164, Zahedan, Iran
¹Department of Chemistry, University of Sistan and Baluchestan, P.O. Box 98135-674, Zahedan, Iran

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Combined UBI-QEP/LHHW methodology was employed for kinetic modeling of carbon monoxide hydrogenation to light olefins on a bimetallic Fe-Co catalysis in a fixed bed micro-reactor. In combination with apparent activation energies obtained from UBI-QEP approach, the experimental data from central composite designs were employed to fit several LH/ER rate equations. A new rate equation for CO consumption and a new mechanism based on parallel formyl/carbide with two RDS elementary reactions was concluded. It was also concluded that CO* is MARI on Fe-Co catalysis surface and its coverage on the catalyst was estimated to be 0.5 ml.

Keywords:Micro kinetics;UBI-QEP;Bimetallic catalysis;Non-linear regression;Neural network

[References]

Ojeda M, Nabar R, Nilekar AU, Ishikawa A, Mavrikakis M, Iglesia E, J. Catal., 272(2), 287 (2010)
Lin YC, Fan LT, Shafie S, Bertok B, Friedler F, Comput. Chem. Eng., 33(6), 1182 (2009)
Shustorovich E, Sellers H, Surf. Sci. Rep., 31, 1 (1998)
Shustorovich E, Zeigarnik AV, Russ J. Phys. Chem., 80(1), 4 (2006)
Zeigarnik AV, Shustorovich E, Russ. J. Phys. Chem. B., 1(4), 330 (2007)
Shustorovich E, Catal. Lett., 7, 107 (1990)
Shustorovich E, Surf. Sci., 248, 359 (1991)
Klinke DJ, Broadbelt LJ, Chem. Eng. Sci., 54(15-16), 3379 (1999)
Storsater S, Chen D, Holmen A, Surf. Sci., 600, 2051 (2006)
Paul UP, Microkinetic model of Fischer.Tropsch synthesis on iron catalysts, PHD, theses, Brigham Young University (2008)
Sellers H, Shustorovich E, Surf. Sci., 504, 167 (2002)
Vannice MA, Kinetics of Catalytic Reactions, Springer (2005)
Damour C, Benne M, Boillereaux L, Grondin-Perez B, Chabriat JP, J. Ind. Eng. Chem., 16(5), 708 (2010)

[Referenced By]

[1] Ojeda M, Nabar R, Nilekar AU, Ishikawa A, Mavrikakis M, Iglesia E, J. Catal., 272(2), 287 (2010)

[2] Lin YC, Fan LT, Shafie S, Bertok B, Friedler F, Comput. Chem. Eng., 33(6), 1182 (2009)

[3] Shustorovich E, Sellers H, Surf. Sci. Rep., 31, 1 (1998)

[4] Shustorovich E, Zeigarnik AV, Russ J. Phys. Chem., 80(1), 4 (2006)

[5] Zeigarnik AV, Shustorovich E, Russ. J. Phys. Chem. B., 1(4), 330 (2007)

[6] Shustorovich E, Catal. Lett., 7, 107 (1990)

[7] Shustorovich E, Surf. Sci., 248, 359 (1991)

[8] Klinke DJ, Broadbelt LJ, Chem. Eng. Sci., 54(15-16), 3379 (1999)

[9] Storsater S, Chen D, Holmen A, Surf. Sci., 600, 2051 (2006)

[10] Paul UP, Microkinetic model of Fischer.Tropsch synthesis on iron catalysts, PHD, theses, Brigham Young University (2008)

[11] Sellers H, Shustorovich E, Surf. Sci., 504, 167 (2002)

[12] Vannice MA, Kinetics of Catalytic Reactions, Springer (2005)

[13] Damour C, Benne M, Boillereaux L, Grondin-Perez B, Chabriat JP, J. Ind. Eng. Chem., 16(5), 708 (2010)