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.
Steam reforming is a promising route to convert natural gas into syngas - a mixture of H2 and CO, used as a feed stock e.g. for ammonia, methanol and Fischer-Tropsch synthesis processes. 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 the present work, a one-dimensional model, LOGEcat is used to carry out a detailed investigation considering a multi-step reaction mechanism for modeling steam reforming of methane over nickel-based catalyst. The model is computationally cost effective due to the reduction in dimensionality, in contrast to experimental investigations which are not always feasible or 2D/3D simulations which are computationally expensive. The 1D tool is based on a series of perfectly stirred reactors (PSR) and is applicable to the simulation of all standard after-treatment catalytic processes of combustion exhaust gas as well as other chemical processes involving heterogeneous catalysis such as the Sabatier process. We have applied the model to perform the simulations for various reactor conditions in terms of parameters such as temperature, pressure, velocity and steam-to-carbon (S/C) ratio. Several chemical reaction terms have been analyzed and the results are compared with 2D simulation and experimental reference data. We note a very good agreement of the various profiles produced with the cost-effective reduced order model in comparison to the reference data.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.
customersupport@researchsolutions.com
10624 S. Eastern Ave., Ste. A-614
Henderson, NV 89052, USA
This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.
Copyright © 2025 scite LLC. All rights reserved.
Made with 💙 for researchers
Part of the Research Solutions Family.