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American Institute of Physics, The Journal of Chemical Physics, 13(126), p. 134708

DOI: 10.1063/1.2713097

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Monte Carlo simulation of n-alkane adsorption isotherms in carbon slit pores

Journal article published in 2007 by Benjamin L. Severson, Randall Q. Snurr ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

The single component adsorption of alkanes in carbon slit pores was studied using configurational-biased grand canonical Monte Carlo simulations. Wide ranges of temperature, pressure, alkane chain length, and slit height were studied to evaluate their effects on adsorption. Adsorption isotherms and density and orientation profiles were calculated. The behavior of long alkanes at high temperatures was found to be similar to short alkanes at lower temperatures. This suggests that the isotherms may be related through the Polanyi potential theory.