Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/142729
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dc.contributor.authorFan, Wuen_US
dc.contributor.authorChakraborty, Anutoshen_US
dc.contributor.authorLeong, Kai Choongen_US
dc.date.accessioned2020-06-29T07:02:37Z-
dc.date.available2020-06-29T07:02:37Z-
dc.date.issued2018-
dc.identifier.citationFan, W., Chakraborty, A., & Leong, K. C. (2018). Theoretical and experimental investigations of isosteric heats for water adsorption on silica gel surfaces. Applied Thermal Engineering, 141, 134-142. doi:10.1016/j.applthermaleng.2018.05.096en_US
dc.identifier.issn1359-4311en_US
dc.identifier.urihttps://hdl.handle.net/10356/142729-
dc.description.abstractThe knowledge of the isosteric heats (Qsto) is essential to design porous adsorbents for calculating the performances of adsorption-assisted cooling, separation and gas storage systems. This paper presents a thermodynamic framework to calculate the interaction potentials and isosteric heats for water adsorption on SiO2 structures. Here both Lennard Jones (LJ) and electrostatic potentials are considered. It is found that (i) Qsto varies from 1.37 eV (∼131 kJ/mol) to 0.54 eV (∼52 kJ/mol) for the adsorption of one water molecule on various pore sizes of SiO2 structure, and (ii) Qsto depends on the pore size (H). Qsto is found to be very high in the super-micro-pore regions. The density functional theory (DFT) is applied to calculate Qsto for the adsorption of water on silica. Here water-water interactions are not considered. Later Qsto for five types of silica gels are obtained from experimentally-measured isotherms data at low pressures (up to 0.15 kPa) and wide range of temperatures. The simulation result agrees well with the experimental data.en_US
dc.description.sponsorshipMOE (Min. of Education, S’pore)en_US
dc.language.isoenen_US
dc.relation.ispartofApplied Thermal Engineeringen_US
dc.rights© 2018 Elsevier Ltd. All rights reserved.en_US
dc.subjectEngineering::Mechanical engineeringen_US
dc.titleTheoretical and experimental investigations of isosteric heats for water adsorption on silica gel surfacesen_US
dc.typeJournal Articleen
dc.contributor.schoolSchool of Mechanical and Aerospace Engineeringen_US
dc.identifier.doi10.1016/j.applthermaleng.2018.05.096-
dc.identifier.scopus2-s2.0-85048504253-
dc.identifier.volume141en_US
dc.identifier.spage134en_US
dc.identifier.epage142en_US
dc.subject.keywordsIsosteric Heat of Adsorptionen_US
dc.subject.keywordsPore Widthen_US
item.grantfulltextnone-
item.fulltextNo Fulltext-
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