Adsorption of Carbon Dioxide, Methane, and Their Mixtute by Montmorillonite in the Presence of Water

Handle URI:
http://hdl.handle.net/10754/593666
Title:
Adsorption of Carbon Dioxide, Methane, and Their Mixtute by Montmorillonite in the Presence of Water
Authors:
Kadoura, Ahmad Salim ( 0000-0001-9317-682X ) ; Nair, Arun Kumar Narayanan; Sun, Shuyu ( 0000-0002-3078-864X )
Abstract:
Using grand canonical Monte Carlo (GCMC) simulations, we study the adsorption behavior of CH4, CO2, and their mixture at 298.15 K and pressures up to 50 bar in Na-, Cs-, and Ca-montmorillonite clays in the presence of water. Montmorillonite clays in the presence of preadsorbed water, preferentially adsorb CO2 over CH4 during both pure component and mixture adsorption. The atomistic model we have used, gives good agreement with available single-component experimental adsorption isotherms, for CH4 and CO2 molecules adsorbed onto montmorillonite clays in the presence of water. We observe the general trend that the presence of increasing preadsorbed water content in the clay interlayers, reduced adsorption amounts of pure CH4 and CO2 molecules. With a relatively large basal spacing (d= 30 Å), the favorability of adsorption of CO2 by montmorillonite at relatively low pressures and intermediate water contents has been demonstrated using simulations. GCMC simulation is also used to assess the effect of water on the adsorption of N2/CH4, H2 S/CH4, CO2/N2, and CO2/H2 S binary mixtures in Na-montmorillonite clay. The ideal adsorbed solution theory is shown to agree well with the observed adsorption capacities and selectivities of mixtures in Na-montmorillonite clay.
KAUST Department:
Computational Transport Phenomena Lab; Physical Sciences and Engineering (PSE) Division
Citation:
Adsorption of Carbon Dioxide, Methane, and Their Mixtute by Montmorillonite in the Presence of Water 2016 Microporous and Mesoporous Materials
Publisher:
Elsevier BV
Journal:
Microporous and Mesoporous Materials
Issue Date:
16-Jan-2016
DOI:
10.1016/j.micromeso.2016.01.010
Type:
Article
ISSN:
13871811
Additional Links:
http://linkinghub.elsevier.com/retrieve/pii/S1387181116000202
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Computational Transport Phenomena Lab

Full metadata record

DC FieldValue Language
dc.contributor.authorKadoura, Ahmad Salimen
dc.contributor.authorNair, Arun Kumar Narayananen
dc.contributor.authorSun, Shuyuen
dc.date.accessioned2016-01-18T08:15:47Zen
dc.date.available2016-01-18T08:15:47Zen
dc.date.issued2016-01-16en
dc.identifier.citationAdsorption of Carbon Dioxide, Methane, and Their Mixtute by Montmorillonite in the Presence of Water 2016 Microporous and Mesoporous Materialsen
dc.identifier.issn13871811en
dc.identifier.doi10.1016/j.micromeso.2016.01.010en
dc.identifier.urihttp://hdl.handle.net/10754/593666en
dc.description.abstractUsing grand canonical Monte Carlo (GCMC) simulations, we study the adsorption behavior of CH4, CO2, and their mixture at 298.15 K and pressures up to 50 bar in Na-, Cs-, and Ca-montmorillonite clays in the presence of water. Montmorillonite clays in the presence of preadsorbed water, preferentially adsorb CO2 over CH4 during both pure component and mixture adsorption. The atomistic model we have used, gives good agreement with available single-component experimental adsorption isotherms, for CH4 and CO2 molecules adsorbed onto montmorillonite clays in the presence of water. We observe the general trend that the presence of increasing preadsorbed water content in the clay interlayers, reduced adsorption amounts of pure CH4 and CO2 molecules. With a relatively large basal spacing (d= 30 Å), the favorability of adsorption of CO2 by montmorillonite at relatively low pressures and intermediate water contents has been demonstrated using simulations. GCMC simulation is also used to assess the effect of water on the adsorption of N2/CH4, H2 S/CH4, CO2/N2, and CO2/H2 S binary mixtures in Na-montmorillonite clay. The ideal adsorbed solution theory is shown to agree well with the observed adsorption capacities and selectivities of mixtures in Na-montmorillonite clay.en
dc.language.isoenen
dc.publisherElsevier BVen
dc.relation.urlhttp://linkinghub.elsevier.com/retrieve/pii/S1387181116000202en
dc.rightsNOTICE: this is the author’s version of a work that was accepted for publication in Microporous and Mesoporous Materials. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Microporous and Mesoporous Materials, 16 January 2016. DOI: 10.1016/j.micromeso.2016.01.010en
dc.subjectMontmorilloniteen
dc.subjectadsorptionen
dc.subjectMonte Carlo simulationsen
dc.subjectIASTen
dc.titleAdsorption of Carbon Dioxide, Methane, and Their Mixtute by Montmorillonite in the Presence of Wateren
dc.typeArticleen
dc.contributor.departmentComputational Transport Phenomena Laben
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalMicroporous and Mesoporous Materialsen
dc.eprint.versionPost-printen
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
kaust.authorKadoura, Ahmad Salimen
kaust.authorNair, Arun Kumar Narayananen
kaust.authorSun, Shuyuen
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