Steam reforming of methane over nickel catalyst using a one-dimensional model
DOI:
https://doi.org/10.47604/ijes.1520Keywords:
Catalyst, One-dimensional modeling, Methane, Steam reformingAbstract
Steam reforming of hydrocarbons is a well established chemical process which provides synthesis gas (H2 and CO). These synthesis products can hence be converted to numerous valuable basic chemicals. For the industrial application of steam reforming, a detailed understanding of the process is a prerequisite. Models that capture the detailed homogeneous and heterogeneous reaction kinetics and the comprehensive transport processes as well as their interaction have the potential to optimize the catalytic process without expensive experimental campaigns.
In this paper, a detailed investigation has been done using a multi-step reaction mechanism for modeling steam reforming of methane over nickel-based catalyst using a one-dimensional (1D) model, LOGEcat [1]. The model is applicable to the simulation of all standard after-treatment catalytic processes of combustion exhaust gas along with other chemical processes involving heterogeneous catalysis, such as, the Sabatier process [27]. It is a 1D tool, thus is computationally cost effective and is based on a series of perfectly stirred reactors (PSR).
The model is used to perform the simulations for various reactor conditions in terms of temperature, pressure, flow rates and steam-to-carbon (S/C) ratio. Several chemical reaction terms, such as, selectivity, yield, conversion, and mole fraction have been shown with respect to the varied parameters and the results are compared with 2D simulations and experimental reference data. We report a very good agreement of the various profiles produced with 1D model as compared to the reference data.
Note that the main aim of this study is to check how far the 1D model can capture the basic chemistry for modeling steam reforming of methane over nickel-based catalysts. It is interesting to note that the cost effective reduced order model is capable to capture the physics and chemistry involved with a multi-step reaction mechanism showing the predictive capability of the model. This study forms the basis for further analysis towards the thermochemistry of the species to develop a kinetically consistent reaction mechanism.
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References
LOGEsoft, 2008. v1.10 www.logesoft.com.
L. M. Aparicio. Transient Isotopic Studies and Microkinetic Modeling of Methane Reforming over Nickel Catalysts. Journal of Catalysis., 165:262– 274, 1997.
J. Aslanjan, C. Klauer, C. Perlman, V. Günther, and F. Mauss. In: SAE International, Simulation of a Three-Way Catalyst Using Transient Single and Multi-Channel Models. ISSN: 0148-7191, 2017-01-0966, 2017.
C. H. Bartholomew. Carbon deposition in steam reforming and methanation. Catalysis Reviews., 24:67–112, 1982.
H. S. Bengaard, J. K. Nørskov, J. Sehested, B. S. Clausen, and L. P. Nielsen. Steam Reforming and Graphite Formation on Ni Catalysts. Journal of Catalysis., 209:365–384, 2002.
E. A. Blekkan, R. Myrstad, O. Olsvik, and O. A. Rokstad. Characterization of tars and coke formed during the pyrolysis of methane in a tubular reactor. Carbon., 30:665–673, 1992.
M. C. J. Bradford and M. A. Vannice. Catalytic reforming of methane with carbon dioxide over nickel catalysts II. Reaction kinetics. Applied Catalysis A: General., 142:97–122, 1996.
D. Chen, R. Lodeng, A. Anundskas, O. Olsvik, and A. Holmen. Deactivation during carbon dioxide reforming of methane over ni catalyst: Microkinetic analysis. Chemical Engineering Science., 56:1371–1379, 2001.
V. R. Choudhary, A. M. Rajput, and V. H. Rane. Low temperature oxidative conversion of methane to synthesis gas over Co/rare earth oxide catalysts. Catalysis Letters., 16:269–272, 1992.
K. H. Delgado, L. Maier, S. Tischer, A. Zellner, H. Stotz, and O. Deutschmann. Surface Reaction Kinetics of Steam- and CO2Reforming as Well as Oxidation of Methane over Nickel-Based Catalysts. Catalysts., 5:871–904, 2015.
O. Deutschmann and L. Schmidt. Modeling the partial oxidation of methane in a short-contact-time reactor. American Institute of Chemical Engineers AIChE., 44:2465–2477, 1998.
D. Dissanayake, M. P. Rosynek, K. C. C. Kharas, and J. H. Lunsford. Partial Oxidation of Methane to Carbon Monoxide and Hydrogen over a Ni/Al2O3 Catalyst. Catalysis Today., 132:117–127, 1991.
B. C. Enger, R. Lødeng, and A. Holmen. A Review of Catalytic Partial Oxidation of Methane to Synthesis Gas with Emphasis on Reaction Mechanisms over Transition Metal Catalysts. Applied Catalysis A: General., 346:1–27, 2008.
K. Fröjd and F. Mauss. A Three-Parameter Transient 1D Catalyst Model. SAE International Journal of Engines., 4 (1):1747–1763, 2011.
A. M. Gadalla and M. E. Sommer. Carbon dioxide reforming of methane on nickel catalysts. Chemical Engineering Science., 44:2825–2829, 1989.
J. M. Ginsburg, J. Pina, T. El Solh, and H. I. de Lasa. Coke formation over a nickel catalyst under methane dry reforming conditions: Thermodynamic and kinetic models. Industrial & Engineering Chemistry Research., 44:4846–4854, 2005.
J. Guo, H. Lou, and X. M. Zheng. The deposition of coke from methane on a NiMgAl2O4 catalyst. Carbon., 45:1314–1321, 2007.
S. Hannemann, J. D. Grunwaldt, N. van Vegten, A. Baiker, P. Boye, and C. G. Schroer. Distinct Spatial Changes of the Catalyst Structure inside a Fixed-Bed Microreactor during the Partial Oxidation of Methane over Rh/Al2O3. Catalysis Today., 126:54, 2007.
D. A. Hickman and L. D. Schmidt. Steps in CH4 oxidation on Pt and Rh surfaces: High-temperature reactor simulations. American Institute of Chemical Engineers AIChE., 39:1164–1177, 1993.
D. L. Hoang, S. H. Chan, and O. L. Ding. Kinetic and modeling study of methane steam reforming over sulfide nickel catalyst on a gamma alumina support. Chemical Engineering Journal., 112(1-3):1–11, 2005.
F. Incopera, D. DeWitt, T. Bergman, and S. Lavine. Fundamentals of Heat and Mass Transfer 6E. 2006.
M. Levent, D. J. Gunn, and M. A. El Bousiffi. Production of hydrogenrich gases from steam reforming of methane in an automatic catalytic microreactor. International Journal of Hydrogen., 28:945, 2003.
Z. W. Liu, H. S. Roh, and K. W. Jun. Important factors on carbon dioxide reforming of methane over nickel-based catalysts. Journal of Industrial and Engineering Chemistry., 9:753–761, 2003.
L. Maier, B. Schädel, K. H. Delgado, S. Tischer, and O. Deutschmann. Steam Reforming of Methane Over Nickel: Development of a Multi-Step Surface Reaction Mechanism. Topics in Catalysis., 54:845–858, 2011.
A. B. Mhadeshwar and D. G. J. Vlachos. Hierarchical Multiscale Mechanism Development for Methane Partial Oxidation and Reforming and for Thermal Decomposition of Oxygenates on Rh. The Journal of Physical Chemistry: B., 109(35):16819–16835, 2005.
B. C. Michael, A. Donazzi, and L. D. Schmidt. Effects of H2O and CO2 addition in catalytic partial oxidation of methane on Rh. Journal of Catalysis., 265:117–129, 2009.
K. Müller, F. Rachow, V. Günther, and D. Schmeisser. Methanation of Coke Oven Gas with Nickel-based Catalysts. International Journal of Environmental Science., 4:73–79, 2019.
R. Quiceno, O. Deutschmann, J. Warnatz, and J. Pérez-Ramírez. Modelling of the high-temperature catalytic partial oxidation of methane over platinum gauze. Detailed gas-phase and surface chemistries coupled with 3D flow field simulations. Applied Catalysis A., 303:166–176, 2006.
Rakhi, V. Günther, J. Richter, and F. Mauss. In: 63rd International Conference of Scandinavian Simulation Society, Steam reforming of methane over a nickel-based catalyst. (Abstract accepted), 2022.
K. Ramanathan, V. Balakotaiah, and D. West. Light-off criterion and transient analysis of catalytic monoliths. Chemical Engineering Science., 58:1381–1405, 2003.
J. R. H. Ross, A. N. J. vanKeulen, M. E. S. Hegarty, and K. Seshan. The catalytic conversion of natural gas to useful products. Catalysis Today., 30:193–199, 1996.
J. R. Rostrup-Nielsen. Activity of Nickel Catalysts for Steam Reforming of Hydrocarbons. Journal of Catalysis., 31:173–199, 1973.
J. R. Rostrup-Nielsen. In: Anderson JR, Boudart M (eds) Catalytic steam reforming in catalysis—science and technology, volume 5. Springer-Verlag, Berlin/Heidelberg, Germany, 1984.
J. R. Rostrup-Nielsen. Sulfur-passivated nickel-catalysts for carbon-free steam reforming of methane. Journal of Catalysis., 85:31–43, 1984.
J. R. Rostrup-Nielsen and J. H. B. Hansen. CO2-Reforming of Methane over Transition Metals. Journal of Catalysis., 144:38–49, 1993.
H. Santos and M. Costa. Modelling transport phenomena and chemical reactions in automotive three-way catalytic converters. Chemical Engineering Journal., 148:173–183, 2009.
B. T. Schädel, M. Duisberg, and O. Deutschmann. Steam reforming of methane, ethane, propane, butane, and natural gas over a rhodium-based catalyst. Catalysis Today., 142:42–51, 2009.
D. Schmider, L. Maier, and O. Deutschmann. Reaction Kinetics of CO and CO2 Methanation over nickel. Engineering Chemistry Research., 60:5792–5805, 2021.
R. Schwiedernoch, S. Tischer, C. Correa, and O. Deutschmann. Experimental and Numerical Study of the Transient Behavior of a Catalytic Partial Oxidation Monolith. Chemical Engineering Science., 58(3):633– 642, 2003.
M. Steinberg. The Hy-C Process (Thermal Decomposition of Natural
Gas:) Potentially the Lowest Cost Source of Hydrogen with the Least CO2 Emission. Upton, N.Y., BNL 61364, Brookhaven National Laboratory, December 1994.
S. Tischer and O. Deutschmann. Recent advances in numerical modeling of catalytic monolith reactors. Catalysis Today., 105:407–413, 2005.
D. L. Trimm. Formation and removal of coke from nickel-catalyst. Catalysis Reviews - Science and Engineering., 16:155–189, 1977.
D. L. Trimm. Coke formation and minimisation during steam reforming reactions. Catalysis Today., 37:233–238, 1997.
W. J. M. Vermeiren, E. Blomsma, and P. A. Jacobs. Catalytic and thermodynamic approach of the oxyreforming reaction of methane. Catalysis Today., 13:427–436, 1992.
S. Wang and G. Q. M. Lu. CO2 reforming of methane on Ni catalysts: Effects of the support phase and preparation technique. Applied Catalysis B., 16:269–277, 1998.
J. Wei and E. Iglesia. Isotopic and kinetic assessment of the mechanism of reactions of CH4 with CO2 or H2O to form synthesis gas and carbon on nickel catalysts. Journal of Catalysis., 224:370–383, 2004.
J. Xu and G. F. Froment. Methane steam reforming, methanation and water-gas shift: I. Intrinsic kinetics. American Institute of Chemical Engineers AIChE., 35:88–96, 1989.
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