Statistical mechanics of a two-dimensional lattice model of benzene adsorption in zeolites |
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| Affiliation: | 1. School of Applied Science, South Bank University, London SE1 0AA, UK;2. School of Computing, Information Systems and Mathematics, South Bank University, London SE1 0AA, UK;3. School of Chemistry, Physics and Environmental Science, University of Sussex, Falmer, Brighton BN1 9QJ, UK;4. Department of Chemical Engineering, University College London, Torrington Place, London WC1E 7JE, UK;1. Department of Chemical and Pharmaceutical Sciences, University of Trieste, P.zle Europa 1, 34127 Trieste, Italy;2. Department of Drug Sciences, University of Pavia, Via Taramelli 12, Pavia, Italy;3. Center for Studies and Researches in Ethno Pharmacy (C.I.St.R.E.), University of Pavia, Via Taramelli 12, 27100 Pavia, Italy;1. Department of Chemical Physics, Faculty of Pharmacy, University of Santiago de Compostela, Spain;2. Faculty of Chemistry, Jagiellonian University, Gronostajowa 2, 30-387 Kraków, Poland;1. Department of Environmental Health Engineering, Faculty of Health and Research Center for Health Sciences, Hamadan University of Medical Science, Hamadan, Iran;2. Department of Environmental Health Engineering, Student Research Committee, Ahvaz Jundishapur University of Medical Sciences, Ahvaz, Iran;1. The Key Laboratory of Resource Chemistry of Ministry of Education, The Development Centre of Plant Germplasm Resources, College of Life and Environmental Science, Shanghai Normal University, 100 Guilin Road, Shanghai 200234, PR China;2. State Key Laboratory Breeding Base of Green Pesticide and Agricultural Bioengineering/Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Guizhou University, Guiyang 550025, PR China |
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| Abstract: | In this Letter, we present a mean field calculation of the statistical mechanics of a lattice model of benzene adsorption in the quasi two-dimensional network of pores in zeolites. A lattice fluid model is introduced with monomer states to represent molecules standing perpendicular to the principle axis of the pore, dimer states to represent molecules lying flat against the pore wall, and vacant sites or holes. For a wide range of interaction parameters the model gives steps in adsorption isotherms similar to those observed experimentally for benzene adsorption in silicalite. Our treatment attributes the experimentally observed steps in the level of adsorption with rising pressure, to orientational transitions amongst molecules in the adsorbed phase with two possible ground states arrangements of the benzene molecules in the zeolite pores energetically competing with each other. |
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