Abstract
We report a molecular simulation (Grand Canonical and Gibbs Ensemble Monte Carlo) study of the influence of associating wall sites on adsorption. The fluids considered are modeled on water and self-associating chain molecules, and the adsorbent is a carbon with slit pores, with varying density and arrangement of the active surface sites. The adsorption is much enhanced by the presence of the surface sites, and is sensitive to both the density and geometric arrangement of the sites on the surface.
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© 1996 Kluwer Academic Publishers
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Vega, L.F., Müller, E.A., Rull, L.F., Gubbins, K.E. (1996). Adsorption Isotherms of Associating Fluids in Slit-Like Pores. A Monte Carlo Simulation Study. In: LeVan, M.D. (eds) Fundamentals of Adsorption. The Kluwer International Series in Engineering and Computer Science, vol 356. Springer, Boston, MA. https://doi.org/10.1007/978-1-4613-1375-5_124
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DOI: https://doi.org/10.1007/978-1-4613-1375-5_124
Publisher Name: Springer, Boston, MA
Print ISBN: 978-1-4612-8594-6
Online ISBN: 978-1-4613-1375-5
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