Abstract
The adsorption isotherms of mixtures of linear alkanes, involving n-pentane, n-hexane, and n-heptane in pillared layered materials (PLMs) with three different porosities Ω=0.98, 0.94 and 0.87, and three pore widths H=1.02, 1.70 and 2.38 nm at temperature T=300 K were simulated by using configurational-bias Monte Carlo (CBMC) techniques in grand canonical ensemble. A grid model was employed to calculate the interaction between a fluid molecule and two layered boards here. For alkane mixtures, the n-heptane, the longest chain component in alkane mixtures, is preferentially adsorbed at low pressures, with its adsorption increasing and then decreasing as the pressure increases continuously while the n-pentane, the shortest chain component in alkane mixtures, is still adsorbed at high pressures; the adsorption of the longest chain component of alkane mixtures increases as the pore width and the porosity of PLMs increase.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
Baksh, M.S.A., Kikkinides, E.S., Yang, R.T., 1992. Characterization by physisorption of a new class of microporous adsorbents: pillared clays. Industrial & Engineering Chemistry Research, 31(9):2181–2189. [doi:10.1021/ie00009a016]
Cao, D.P., Wang, W.C., Duan, X., 2002. Grand Canonical Monte Carlo simulation for determination of optimum parameters for adsorption of supercritical methane in pillared layered pores. Journal of Colloid and Interface Science, 254(1):1–7. [doi:10.1006/jcis.2002.8543]
Jeanneret, J.J., 1997. Handbook of Petroleum Refining Processes. Myers, R.A. (Ed.), McGraw-Hill, New York.
Li, W.Z., Qin, C.G., Lü, C.S., Li, L.S., Chen, J.S., 2004. Eu3+ and Lysine co-intercalated α-Zirconium phosphate and its catalytic activity for copolymerization of propylene oxide and CO2. Catalysis Letters, 94(1/2):95–102. [doi:10.1023/B:CATL.0000019337.49930.db]
Lu, L.H., Wang, Q., Liu, Y.C., 2003. Adsorption and separation of ternary and quaternary mixtures of short linear alkanes in zeolites by molecular simulation. Langmuir, 19(25):10617–10623. [doi:10.1021/la034766z]
Talbot, J., 1997. Analysis of adsorption selectivity in a one-dimensional model system. AIChE Journal, 43(10):2471–2478. [doi:10.1002/aic.690431010]
Vlugt, T.J.H., Krishna, R., Smit, B., 1999. Molecular simulations of adsorption isotherms for linear and branched alkanes and their mixtures in silicalite. Journal of Physical Chemistry B, 103(7):1102–1118. [doi:10.1021/jp982736c]
Yang, Q., Bu, X., Zhong, C., Li, Y.G., 2005. Molecular simulation of adsorption of HCFC-22 in pillared clays. AIChE Journal, 51(1):281–291. [doi:10.1002/aic.10337]
Author information
Authors and Affiliations
Corresponding author
Additional information
Project (No. X502034) supported by Research Institute Petroleum Processing of China
Rights and permissions
About this article
Cite this article
Li, Wz., Che, Yl., Liu, Zy. et al. Molecular simulation of the adsorption of linear alkane mixtures in pillared layered materials. J. Zhejiang Univ. - Sci. A 8, 331–334 (2007). https://doi.org/10.1631/jzus.2007.A0331
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1631/jzus.2007.A0331