Journal of Chemical and Petroleum Engineering

Journal of Chemical and Petroleum Engineering

The Comprehensive Evaluation of the Coke Formation and Catalyst Deactivation in the Propane Dehydrogenation Reactor: Computational Fluid Dynamics Modelling

Document Type : Research Paper

Authors
Soleiman Mosleh 1
Parviz Darvishi 2
1 Department of Gas and Petroleum, School of Engineering, Yasouj University, Yasouj, Iran
2 Department of Chemical Engineering, School of Engineering, Yasouj University, Yasouj, Iran
10.22059/jchpe.2022.345525.1395
Abstract
A numerical evaluation was performed to understand the effect of catalytic bed geometry on the catalyst deactivation and propane dehydrogenation reactor performance with respect to coke formation. Furthermore, the temperature distribution and propane conversion along the reactor were studied. The governing equations with appropriate initial and boundary conditions were solved numerically, while two different bed arrangements (i.e. rectangular and parallelogram) were evaluated to find the optimized geometry in order to avoid the creation of hot spots. Findings indicated that parallelogram arrangement causes more conversion percentage owing to more axial as well as the radial mixing of reactants compared to the rectangular arrangement. Moreover, the obtained numerical results revealed that the optimum operating temperature to achieve the maximum conversion is 550 °C. As the temperature increases from 450 ºC to 650 ºC, the conversion of propane increases from 68.15% to 99.51%, during the reactor length. When the temperature exceeds above the optimum operating temperature, hot spots are created due to coke formation and also accumulation of coke on the catalyst bed surface that will lead to the deactivation of catalysts. The results of this work can be useful to examine the effects of operating conditions to better understand physical and chemical phenomena occurring in the propane dehydrogenation reactor.
Keywords
CFD Modeling
Coke Formation
Deactivation
Hot Spots
Propane dehydrogenation
  1. Choi SW, Sholl DS, Nair S, Moore JS, Liu Y, Dixit RS, Pendergast JG. Modeling and process simulation of hollow fiber membrane reactor systems for propane dehydrogenation. AIChE Journal. 20; 63:4519-4531.
  2. Ricca A, Montella F, Iaquaniello G, Palo E, Salladini A, Palma V. Membrane assisted propane dehydrogenation: Experimental investigation and mathematical modeling of catalytic reactions. Catalysis Today. 2019; 331:43-52.
  3. Lian Z, Ali S, Liu T, Si C, Li B, Su DS. Revealing the Janus character of the coke precursor in the propane direct dehydrogenation on Pt catalysts from a kMC simulation. ACS Catalysis. 2018; 8:4694-4704.
  4. Du Y, Zhang L, Berrouk AS. Exergy analysis of propane dehydrogenation in a fluidized bed reactor: Experiment and MP-PIC simulation. Energy Conversion and Management. 2019; 202:112213.
  5. Jin Y, Meng X, Bo M, Yang N, Sunarso J, Liu S. Parametric modeling study of oxidative dehydrogenation of propane in La0. 6Sr0. 4Co0. 2Fe0. 8O3-δ hollow fiber membrane reactor. Catalysis Today. 2019; 330:135-141.
  6. Zhu Y, An Z, Song H, Xiang X, Yan W, He J. Lattice-confined Sn (IV/II) stabilizing raft-like Pt clusters: high selectivity and durability in propane dehydrogenation. ACS catalysis. 2017; 710:6973-6978.
  7. Sheintuch M, Nekhamkina O. Architecture alternatives for propane dehydrogenation in a membrane reactor. Chemical Engineering Journal. 2018; 347:900-12.
  8. Saerens S, Sabbe MK, Galvita VV, Redekop EA, Reyniers MF, Marin GB. The positive role of hydrogen on the dehydrogenation of propane on Pt (111). ACS catalysis. 2017; 7:7495-508.
  9. Jiang F, Zeng L, Li S, Liu G, Wang S, Gong J. Propane dehydrogenation over Pt/TiO2–Al2O3 catalysts. ACS catalysis. 2015; 5:438-447.
  10. Tian J, Lin J, Xu M, Wan S, Lin J, Wang Y. Hexagonal boron nitride catalyst in a fixed-bed reactor for exothermic propane oxidation dehydrogenation. Chemical Engineering Science. 2018; 186:142-151.
  11. Miraboutalebi SM, Vafajoo L, Kazemeini M, Fattahi M. Simulation of Propane Dehydrogenation to Propylene in a Radial‐Flow Reactor over Pt‐Sn/Al2O3 as the Catalyst. Chemical Engineering & Technology. 2015; 38:2198-2206.
  12. Han Z, Li S, Jiang F, Wang T, Ma X, Gong J. Propane dehydrogenation over Pt–Cu bimetallic catalysts: the nature of coke deposition and the role of copper. Nanoscale. 2014; 6:10000-10008.
  13. Ricca A, Palma V, Iaquaniello G, Palo E, Salladini A. Highly selective propylene production in a membrane assisted catalytic propane dehydrogenation. Chemical Engineering Journal. 2017; 330:1119-1127.
  14. Shen LL, Xia K, Lang WZ, Chu LF, Yan X, Guo YJ. The effects of calcination temperature of support on PtIn/Mg (Al) O catalysts for propane dehydrogenation reaction. Chemical Engineering Journal. 2017; 324:336-346.
  15. Chen C, Zhang J, Zhang B, Yu C, Peng F, Su D. Revealing the enhanced catalytic activity of nitrogen-doped carbon nanotubes for oxidative dehydrogenation of propane. Chemical Communications journal. 2013; 49:8151-8153.
  16. Yang ML, Zhu J, Zhu YA, Sui ZJ, Yu YD, Zhou XG, Chen D. Tuning selectivity and stability in propane dehydrogenation by shaping Pt particles: A combined experimental and DFT study. Journal of Molecular Catalysis. 2014; 395:329-236.
  17. Fattahi M, Kazemeini M, Khorasheh F, Rashidi A. Kinetic modeling of oxidative dehydrogenation of propane (ODHP) over a vanadium–graphene catalyst: Application of the DOE and ANN methodologies. Journal of Industrial and Engineering Chemistry. 2014; 20:2236-2247.
  18. Karthik GM, Buwa VV. Effect of particle shape on catalyst deactivation using particle-resolved CFD simulations. Chemical Engineering Journal. 2019; 377:120164.
  19. Ghodasara K, Hwang S, Smith R. Catalytic propane dehydrogenation: Advanced strategies for the analysis and design of moving bed reactors. Korean Journal of Chemical Engineering. 2015; 32(11):2169-2180.
  20. Barghi B, Fattahi M, Khorasheh F. Kinetic modeling of propane dehydrogenation over an industrial catalyst in the presence of oxygenated compounds. Reaction Kinetics, Mechanisms and Catalysis. 2012; 107:141-155.
  21. Gascón J, Téllez C, Herguido J, Menéndez M. Propane dehydrogenation over a Cr2O3/Al2O3 catalyst: transient kinetic modeling of propene and coke formation. Applied Catalysis. 2003; 248:105-116.
  22. Li Q, Sui Z, Zhou X, Chen D. Kinetics of propane dehydrogenation over Pt–Sn/Al2O3 catalyst. Applied Catalysis. 2011; 398:18-26.
  23. Lobera MP, Tellez C, Herguido J, Menéndez M. Transient kinetic modelling of propane dehydrogenation over a Pt–Sn–K/Al2O3 catalyst. Applied Catalysis. 2008; 349:156-164.
  24. Zhang Y, Zhou Y, Qiu A, Wang Y, Xu Y, Wu P. Effect of alumina binder on catalytic performance of PtSnNa/ZSM-5 catalyst for propane dehydrogenation. Industrial & Engineering Chemistry Research. 2006; 45:2213-2219.
  25. Rozanska X, Fortrie R, Sauer J. Oxidative dehydrogenation of propane by monomeric vanadium oxide sites on silica support. The Journal of Physical Chemistry. 2007; 111:6041-6050.
  26. Behnam M, Dixon A. 3D CFD simulations of local carbon formation in steam methane reforming catalyst particles. International Journal of Chemical Reactor Engineering. 2017; 15 :6.
  27. Yang X, Wang S, Zhang K, He Y. Evaluation of coke deposition in catalyst particles using particle-resolved CFD model. Chemical Engineering Science. 2021; 229:116122.
  28. Reyes-Antonio C.A, Cordero M.E, Pérez-Pastenes H, Uribe S, Al-Dahhan M. Analysis of the effect of hydrodynamics over the activity and selectivity of the oxidative dehydrogenation of propane process in a packed bed reactor through CFD techniques. Fuel. 2020; 280:118510.
  29. Gopal Manoharan K, Buwa V.V. Structure-resolved CFD simulations of different catalytic structures in a packed bed. Industrial & Engineering Chemistry Research. 2019; 58:22363-22375.
  30. Shelepova EV, Vedyagin AA, Mishakov IV, Noskov AS. Mathematical modeling of the propane dehydrogenation process in the catalytic membrane reactor. Chemical Engineering Journal. 2001; 176:151-157.
  31. Chin SY, Hisyam A, Prasetiawan H. Modeling and simulation study of an industrial radial moving bed reactor for propane dehydrogenation process. International Journal of Chemical Reactor Engineering. 2016; 14:33-44.
  32. Hamel C, Tóta Á, Klose F, Tsotsas E, Seidel-Morgenstern A. Analysis of single and multi-stage membrane reactors for the oxidation of short-chain alkanes—Simulation study and pilot scale experiments. Chemical Engineering Research and Design. 2008; 86: 753-764.
  33. Sheintuch M, Liron O, Ricca A, Palma V. Propane dehydrogenation kinetics on supported Pt catalyst. Applied Catalysis A: General. 2016; 516: 17-29.Steefel CI. CrunchFlow. Softw. Model. Multicomponent React. Flow Transp. User's Man. . Lawrence Berkeley Natl Lab, Berkeley USA. 2009.
Journal of Chemical and Petroleum Engineering
Volume 56, Issue 2
December 2022
Pages 287-301

  • Receive Date 12 July 2022
  • Revise Date 14 October 2022
  • Accept Date 18 October 2022