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Computer simulation study for methane and hydrogen adsorption on activated carbon based catalyst

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Abstract

In this study, a Grand Canonical Monte Carlo simulation method is used to study the adsorption of nitrogen, methane and hydrogen on activated carbon (AC) whose surfaces contain nickel catalyst. For the solid model, nickel are placed at the edge of carbon surfaces and varied from 0 to 6 %. In addition the simulation results together with the measured isotherm data for nitrogen at 77 K are used to derive the pore size distribution (PSD) of activated carbons based catalyst, which are in reasonable agreement with PSDs obtained from density functional theory method. The simulation of hydrogen adsorptions are carried out at 298 and 323 K, while those of methane are at 298, 303 and 308 K. The simulation results obtained for various pore sizes represent the commensurate and incommensurate packing which results in crossing of isotherms for pores of different sizes. An early onset in adsorption of methane on AC based catalyst is then observed and the maximum adsorption capacity in the case of catalyst is also greater than that of homogeneous carbon due to the stronger interaction between fluid and metal. The concentration of Ni on carbon surfaces is also investigated and it is found that the adsorption isotherm increases with an increase of Ni concentration which differs from the experimental data of N2. While the temperature effect is found that the adsorption increases when the temperature decrease which is typically observed for physical adsorption. The similar adsorption behavior are also observed in the case of hydrogen, justifying that nickel on AC surfaces can be used to enhance the adsorption of methane and hydrogen which may be developed for energy storage.

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Acknowledgments

This work is supported by Suranaree University of Technology via Institute of Research and Development, under the Grant Number 14/2556.

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Authors and Affiliations

  1. School of Chemical Engineering, Institute of Engineering, Suranaree University of Technology, Nakhon Ratchasima, 30000, Thailand

    P. Sriling, A. Wongkoblap & C. Tangsathitkulchai

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  1. P. Sriling
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  2. A. Wongkoblap
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  3. C. Tangsathitkulchai
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Correspondence to A. Wongkoblap.

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Sriling, P., Wongkoblap, A. & Tangsathitkulchai, C. Computer simulation study for methane and hydrogen adsorption on activated carbon based catalyst. Adsorption 22, 707–715 (2016). https://doi.org/10.1007/s10450-016-9763-3

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  • DOI: https://doi.org/10.1007/s10450-016-9763-3

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