Computational Fluid Dynamics (CFD) Analysis of Phthalic Anhydride’s Yield Using Lab Synthesized and Commercially Available (V2O5/TiO2) Catalyst
V2O5/TiO2 is an important catalyst used in many industrial reactions like selective oxidation of o-xylene to phthalic anhydride, selective catalytic reduction of NOx, selective oxidation of alkanes, etc. The partial oxidation of o-xylene to synthesize phthalic anhydride is an exothermic reaction and leaves hot spots on the catalyst’s surface. The yield of phthalic anhydride strongly depends on the activity and stability of the catalyst. In this work, a computational fluid dynamics (CFD) analysis has been conducted to compare the yield of lab prepared catalyst with the commercially used catalyst. This work is first attempt to simulate V2O5/TiO2 catalyst for cracking heavy hydrocarbons in the petrochemical industry using k- ε turbulence and species transport models in CFD. The results obtained are in the form of scaled residuals, area-weighted average, and contours of pressure and temperature. Simulation results of lab synthesized and commercially used catalysts, applying finite volume method (FVM) are compared, which emphasize the scope of CFD modeling in the catalytic cracking process of petrochemical industry.
Keywords:V2O5/TiO2, computational fluid dynamics, CFD, hydrocarbon cracking, hydrodynamics, k-ε turbulence model, o-xylene, phthalic anhydride
A.I. Anastasov, “Deactivation of an industrial V2O5–TiO2 catalyst for oxidation of o-xylene into phthalic anhydride”, Chemical Engineering and Processing: Process Intensification, Vol. 42, No. 6, pp. 449-460, 2003 DOI: https://doi.org/10.1016/S0255-2701(02)00063-6
H. Zhao, S. Bennici, J. Shen, A. Auroux, “The influence of the preparation method on the structural, acidic and redox properties of V2O5–TiO2/SO4 2− catalysts”, Applied Catalysis A: General, Vol. 356, No. 2, pp. 121-128, 2009 DOI: https://doi.org/10.1016/j.apcata.2008.12.037
M. P. Gimeno, J. Gascon, C. Tellez, J. Herguido, M. Menendez, “Selective oxidation of o-xylene to phthalic anhydride over V2O5/TiO2: kinetic study in a fluidized bed reactor”, Chemical Engineering and Processing: Process Intensification, Vol. 47, No. 9-10, pp. 1844-1852, 2008 DOI: https://doi.org/10.1016/j.cep.2007.10.010
W. Friedrichsen, O. Goehre, Process for the production of phthalic anhydride, U.S. Patent No. 3,509,179, 1970
D.J. Hucknall, Selective oxidation of hydrocarbons, Academic Press, 1974
J.-J. Shyue, M.R. De Guire, “Single-step preparation of mesoporous, anatase-based titanium-vanadium oxide and its application”, Journal of the American Chemical Society, Vol. 127, No. 36, pp. 12736-12742, 2005 DOI: https://doi.org/10.1021/ja0536365
G. Bond, “Preparation and properties of vanadia/titania monolayer catalysts”, Applied Catalysis A: General, Vol. 157, No. 1, pp. 91-103, 1997 DOI: https://doi.org/10.1016/S0926-860X(97)00024-0
G. Groppi, E. Tronconi, C. Cortelli, R. Leanza, “Conductive monolithic catalysts: development and industrial pilot tests for the oxidation of o-xylene to phthalic anhydride”, Industrial & Engineering Chemistry Research, Vol. 51, No. 22, pp. 7590-7596, 2011 DOI: https://doi.org/10.1021/ie2021653
V.M. Janardhanan, O. Deutschmann, “Computational fluid dynamics of catalytic reactors”, in: Modeling and simulation of heterogeneous catalytic reactions: from the molecular process to the technical system, Wiley-VCH, 2011 DOI: https://doi.org/10.1002/9783527639878.ch8
L. Jiang, X. Fang‐Zhi, L. Zheng‐Hong, “A CFD modeling of the gas–solid two‐phase flow in an FCC riser under the electrostatic conditions”, Asia‐Pacific Journal of Chemical Engineering, Vol. 9, No. 5, pp. 645-655, 2014 DOI: https://doi.org/10.1002/apj.1793
J. Chang, W. Cai, K. Zhang, F. Meng, L. Wang, Y. Yang, “Computational investigation of the hydrodynamics, heat transfer and kinetic reaction in an FCC gasoline riser”, Chemical Engineering Science, Vol. 111, pp. 170-179, 2014 DOI: https://doi.org/10.1016/j.ces.2014.02.030
I. Fluent, “Fluent 6.3 Users Guide”, Fluent documentation, 2006
P. Mulheims, B. Kraushaar-Czarnetzki, “Temperature profiles and process performances of sponge packings as compared to spherical catalysts in the oxidation of o-xylene to phthalic anhydride”, Industrial & Engineering Chemistry Research, Vol. 50, No. 17, pp. 9925-9935, 2011 DOI: https://doi.org/10.1021/ie201062p
M. Hoj, T. Kessler, P. Beato, A. D. Jensen, J. D. Grunwaldt, “Structure, activity and kinetics of supported molybdenum oxide and mixed molybdenum–vanadium oxide catalysts prepared by flame spray pyrolysis for propane OHD”, Applied Catalysis A: General, Vol. 472, pp. 29-38, 2014 DOI: https://doi.org/10.1016/j.apcata.2013.11.027
B. P. Muljadi, M. J. Blunt, A. Q. Raeini, B. Bijeljic, “The Impact of Porous Media Heterogeneity on Non-Darcy Flow Behaviour from Pore-Scale Simulation”, Advances in Water Resources, Vol. 95, pp. 329-340, 2015 DOI: https://doi.org/10.1016/j.advwatres.2015.05.019
A. W. Lothongkum, P. Sethapokin, P. Ouraipryvan, “Simulation of V2O5/TiO2 catalyst activity by central composite design for optimal operating conditions and catalyst life in phthalic anhydride production”, Journal of Industrial and Engineering Chemistry, Vol. 25, pp. 288-294, 2014 DOI: https://doi.org/10.1016/j.jiec.2014.11.006
Y. M. Ferng, K.-Y. Lin, “Investigating effects of BCC and FCC arrangements on flow and heat transfer characteristics in pebbles through CFD methodology”, Nuclear Engineering and Design, Vol. 258, pp. 66-75, 2013 DOI: https://doi.org/10.1016/j.nucengdes.2013.02.009
D. E. Cormack, G. I. Beattie, “Viscous flow effects in the periodic pressure cycling of gas-phase catalytic reactions”, Chemical Engineering Science, Vol. 34, No. 7, pp. 1001-1005, 1979 DOI: https://doi.org/10.1016/0009-2509(79)85012-5
P. Frank, Phthalic anhydride production, U.S. Patent No. 2,117,359, 1938
P. K. Dasila, I. Choudhury, D. Saraf, S. Chorpa, A. Dalai, “Parametric sensitivity studies in a commercial FCC unit”, Advances in Chemical Engineering and Science, Vol. 2, No. 01, pp. 136-149, 2011 DOI: https://doi.org/10.4236/aces.2012.21017
H. Ali, S. Rohani, J. P. Corriou, “Modelling and control of a riser type fluid catalytic cracking (FCC) unit”, Chemical Engineering Research and Design, Vol. 75, No. 4, pp. 401-412, 1997 DOI: https://doi.org/10.1205/026387697523868
P. J. Linstrom, W. Mallard, NIST Chemistry webbook SRD. 69, Available at: https://webbook.nist.gov/chemistry/, 2001
J. Geertsma, “Estimating the coefficient of inertial resistance in fluid flow through porous media”, Society of Petroleum Engineers Journal, Vol. 14, No. 05, pp. 445-450, 1974 DOI: https://doi.org/10.2118/4706-PA
How to Cite
MetricsAbstract Views: 777
PDF Downloads: 430
Authors who publish with this journal agree to the following terms:
- Authors retain the copyright and grant the journal the right of first publication with the work simultaneously licensed under a Creative Commons Attribution License that allows others to share the work with an acknowledgement of the work's authorship and initial publication in this journal.
- Authors are able to enter into separate, additional contractual arrangements for the non-exclusive distribution of the journal's published version of the work (e.g., post it to an institutional repository or publish it in a book), with an acknowledgement of its initial publication in this journal.
- Authors are permitted and encouraged to post their work online (e.g., in institutional repositories or on their website) after its publication in ETASR with an acknowledgement of its initial publication in this journal.