{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,8]],"date-time":"2026-10-08T20:54:42Z","timestamp":1791492882205,"version":"4.3.4"},"reference-count":48,"publisher":"MDPI AG","issue":"2","license":[{"start":{"date-parts":[[2024,1,18]],"date-time":"2024-01-18T00:00:00Z","timestamp":1705536000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"French ANR","award":["ANR-22-CE50-0019"],"award-info":[{"award-number":["ANR-22-CE50-0019"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Nanomaterials"],"abstract":"<jats:p>Adsorption isotherms of pure vapors and vapor mixtures of water, methanol, and cyclohexane were studied using a synthesized 13X zeolite (FAU topology), by means of a DVS gravimetric vapor analyzer. These results were validated by GCMC calculations. The surface chemistry of the adsorbent was characterized by the thermodesorption of ammonia, and its textural properties were studied using nitrogen physisorption. The 13X zeolite was found to be strongly acidic (Br\u00d8nsted acid sites, Si\/Al = 1.3) and its specific surface area around 1100 m2\u00b7g\u22121. Water was found to be able to diffuse within both the supercages and the sodalite cavities of the FAU structure, whereas methanol and cyclohexane were confined in the supercages only. The water\/methanol sorption selectivity of the 13X zeolite was demonstrated by co-adsorption measurements. The composition of the water\/methanol adsorbed phase could be calculated by assuming IAST hypotheses. This model failed in the case of the water\/cyclohexane co-adsorption system, which is in line with the non-miscibility of the components in the adsorbed state. The sorption isotherms could be successfully simulated, confirming the robustness of the forcefields used. The 13X zeolite confirmed its a priori expected hydrophilic nature, which is useful for the selective adsorption of water in a methanol\u2013water vapor mixture.<\/jats:p>","DOI":"10.3390\/nano14020213","type":"journal-article","created":{"date-parts":[[2024,1,18]],"date-time":"2024-01-18T11:28:46Z","timestamp":1705577326000},"page":"213","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":20,"title":["Evaluation of the Hydrophilic\/Hydrophobic Balance of 13X Zeolite by Adsorption of Water, Methanol, and Cyclohexane as Pure Vapors or as Mixtures"],"prefix":"10.3390","volume":"14","author":[{"given":"Meryem","family":"Saidi","sequence":"first","affiliation":[{"name":"ICGM, Universit\u00e9 de Montpellier, CNRS, ENSCM, 34090 Montpellier, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fran\u00e7ois","family":"Bihl","sequence":"additional","affiliation":[{"name":"ICPEES, UMR 7515, Universit\u00e9 de Strasbourg, CNRS, 25 Rue Becquerel, 67087 Strasbourg, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4288-9675","authenticated-orcid":false,"given":"Olinda","family":"Gimello","sequence":"additional","affiliation":[{"name":"ICGM, Universit\u00e9 de Montpellier, CNRS, ENSCM, 34090 Montpellier, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Benoit","family":"Louis","sequence":"additional","affiliation":[{"name":"ICPEES, UMR 7515, Universit\u00e9 de Strasbourg, CNRS, 25 Rue Becquerel, 67087 Strasbourg, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1675-3491","authenticated-orcid":false,"given":"Anne-C\u00e9cile","family":"Roger","sequence":"additional","affiliation":[{"name":"ICPEES, UMR 7515, Universit\u00e9 de Strasbourg, CNRS, 25 Rue Becquerel, 67087 Strasbourg, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9162-8263","authenticated-orcid":false,"given":"Philippe","family":"Trens","sequence":"additional","affiliation":[{"name":"ICGM, Universit\u00e9 de Montpellier, CNRS, ENSCM, 34090 Montpellier, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8069-533X","authenticated-orcid":false,"given":"Fabrice","family":"Salles","sequence":"additional","affiliation":[{"name":"ICGM, Universit\u00e9 de Montpellier, CNRS, ENSCM, 34090 Montpellier, France"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2024,1,18]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"64","DOI":"10.1016\/j.cis.2017.10.002","article-title":"Water Adsorption on Carbon\u2014A Review","volume":"250","author":"Liu","year":"2017","journal-title":"Adv. Colloid Interface Sci."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"898","DOI":"10.1039\/C5QI00077G","article-title":"Carbon Dioxide Capture in the Presence of Water Vapour in InOF-1","volume":"2","author":"Peralta","year":"2015","journal-title":"Inorg. Chem. Front."},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"1080","DOI":"10.1039\/C5QI00176E","article-title":"Water Adsorption Properties of a Sc(III) Porous Coordination Polymer for CO2 Capture Applications","volume":"2","author":"Peralta","year":"2015","journal-title":"Inorg. Chem. Front."},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"191","DOI":"10.1039\/B618320B","article-title":"Hybrid Porous Solids: Past, Present, Future","volume":"37","year":"2008","journal-title":"Chem. Soc. Rev."},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"8584","DOI":"10.1039\/D0CS00025F","article-title":"Industrial Carbon Dioxide Capture and Utilization: State of the Art and Future Challenges","volume":"49","author":"Gao","year":"2020","journal-title":"Chem. Soc. Rev."},{"key":"ref_6","doi-asserted-by":"crossref","first-page":"480","DOI":"10.1515\/hfsg.1994.48.6.480","article-title":"Sweiling of Wood","volume":"48","author":"Mantanis","year":"1994","journal-title":"Holzforschung"},{"key":"ref_7","doi-asserted-by":"crossref","first-page":"11586","DOI":"10.1002\/anie.201101891","article-title":"Development and Evaluation of Porous Materials for Carbon Dioxide Separation and Capture","volume":"50","author":"Bae","year":"2011","journal-title":"Angew. Chem. (Int. Ed. Engl.)"},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"1060","DOI":"10.1038\/s41563-021-01054-8","article-title":"Porous Materials for Carbon Dioxide Separations","volume":"20","author":"Siegelman","year":"2021","journal-title":"Nat. Mater."},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"34533","DOI":"10.1021\/acsami.9b08487","article-title":"Trends in Solid Adsorbent Materials Development for CO2 Capture","volume":"11","author":"Pardakhti","year":"2019","journal-title":"ACS Appl. Mater. Interfaces"},{"key":"ref_10","unstructured":"Gas Process Suppliers (2004). Association Engineering Data Book, Gas Processors Suppliers Association."},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"3357","DOI":"10.1039\/C7CS00108H","article-title":"Metal\u2013Organic Frameworks for the Removal of Toxic Industrial Chemicals and Chemical Warfare Agents","volume":"46","author":"Snurr","year":"2017","journal-title":"Chem. Soc. Rev."},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"2335","DOI":"10.1080\/01496399808545278","article-title":"Effect of Water Content on the Selective Coadsorption of Gaseous P-Xylene and m-Xylene on the BaY Zeolite","volume":"33","author":"Bellat","year":"1998","journal-title":"Sep. Sci. Technol."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"9978","DOI":"10.1039\/C5RA26517G","article-title":"CO2 Capture under Humid Conditions in NH2-MIL-53(Al): The Influence of the Amine Functional Group","volume":"6","author":"Peralta","year":"2016","journal-title":"RSC Adv."},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"64","DOI":"10.1016\/j.carbon.2015.12.091","article-title":"Sensing of NH3on Heterogeneous Nanoporous Carbons in the Presence of Humidity","volume":"100","author":"Travlou","year":"2016","journal-title":"Carbon"},{"key":"ref_15","doi-asserted-by":"crossref","first-page":"395","DOI":"10.1002\/9783527618286.ch12","article-title":"Surface Hydrophobicity or Hydrophilicity o f Porous Solids","volume":"1","author":"Glaser","year":"2002","journal-title":"Handb. Porous Solids"},{"key":"ref_16","doi-asserted-by":"crossref","first-page":"21547","DOI":"10.1021\/acs.jpcc.5b06660","article-title":"Solubility of Gases in Water Confined in Nanoporous Materials: ZSM-5, MCM-41, and MIL-100","volume":"119","author":"Ho","year":"2015","journal-title":"J. Phys. Chem. C"},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"479","DOI":"10.1002\/chem.201804730","article-title":"Switch in the Hydrophobic-Hydrophilic Character of the Lipophilic Prussian Blue Analogues: An Affinity Control for Smart Gas Sorption Processes","volume":"25","author":"Boudjema","year":"2019","journal-title":"Chem. Eur. J."},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"119316","DOI":"10.1016\/j.ica.2019.119316","article-title":"Adsorption of Volatile Organic Compounds by ZIF-8, Cu-BTC and a Prussian Blue Analogue: A Comparative Study","volume":"501","author":"Boudjema","year":"2020","journal-title":"Inorg. Chim. Acta"},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"e202201824","DOI":"10.1002\/cssc.202201824","article-title":"A Highly Stable Ortho-Ketoenamine Covalent Organic Framework with Balanced Hydrophilic and Hydrophobic Sites for Atmospheric Water Harvesting","volume":"15","author":"Chen","year":"2022","journal-title":"ChemSusChem"},{"key":"ref_20","doi-asserted-by":"crossref","first-page":"126260","DOI":"10.1016\/j.jclepro.2021.126260","article-title":"Designing Microporous Activated Carbons from Biomass for Carbon Dioxide Adsorption at Ambient Temperature. A Comparison between Bagasse and Rice by-Products","volume":"294","author":"Ho","year":"2021","journal-title":"J. Clean. Prod."},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"122964","DOI":"10.1016\/j.cej.2019.122964","article-title":"Facile and Efficient Nitrogen Modified Porous Carbon Derived from Sugarcane Bagasse for CO2 Capture: Experimental and DFT Investigation of Nitrogen Atoms on Carbon Frameworks","volume":"382","author":"Adio","year":"2020","journal-title":"Chem. Eng. J."},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"600","DOI":"10.1016\/j.cej.2015.06.032","article-title":"Highly Porous Activated Carbon Materials from Carbonized Biomass with High CO2 Capturing Capacity","volume":"281","author":"Alabadi","year":"2015","journal-title":"Chem. Eng. J."},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"719","DOI":"10.1080\/17597269.2017.1306680","article-title":"Comparative Studies of CO2 Capture Using Acid and Base Modified Activated Carbon from Sugarcane Bagasse","volume":"9","author":"Alhassan","year":"2018","journal-title":"Biofuels"},{"key":"ref_24","first-page":"793","article-title":"Enhancement of CO2 Adsorption by Introducing Mesopores into FAU Zeolite Using Acid-Base Leaching","volume":"26","author":"Phuong","year":"2022","journal-title":"J. Appl. Sci. Eng."},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"135090","DOI":"10.1016\/j.scitotenv.2019.135090","article-title":"A Review on Production of Metal Organic Frameworks (MOF) for CO2 Adsorption","volume":"707","author":"Ghanbari","year":"2020","journal-title":"Sci. Total Environ."},{"key":"ref_26","doi-asserted-by":"crossref","first-page":"485","DOI":"10.1016\/j.crci.2004.11.011","article-title":"Adsorption of Water in Zeolite Sodium-Faujasite","volume":"8","author":"Beauvais","year":"2005","journal-title":"C. R. Chim."},{"key":"ref_27","unstructured":"Baerlocher, C., McCusker, L.B., and Olson, D.H. (2007). Atlas of Zeolite Framework Types, Elsevier."},{"key":"ref_28","unstructured":"Barrier, N. (2013). Verified Syntheses of Zeolitic Materials, XRD Patterns, Elsevier. Volume 3rd Revised Edition."},{"key":"ref_29","doi-asserted-by":"crossref","first-page":"46","DOI":"10.1016\/j.colsurfa.2017.01.036","article-title":"Adsorption and Separation of Hydrocarbons by the Metal Organic Framework MIL-101(Cr)","volume":"520","author":"Trens","year":"2017","journal-title":"Colloids Surf. Physicochem. Eng. Asp."},{"key":"ref_30","doi-asserted-by":"crossref","first-page":"4559","DOI":"10.1021\/jp970393x","article-title":"Neutron Diffraction and Computational Study of Zeolite NaX: Influence of SIII\u2018 Cations on Its Complex with Benzene","volume":"101","author":"Vitale","year":"1997","journal-title":"J. Phys. Chem. B"},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"223","DOI":"10.1016\/j.solmat.2017.11.020","article-title":"On the Use of Metal Cation-Exchanged Zeolites in Sorption Thermochemical Storage: Some Practical Aspects in Reference to the Mechanism of Water Vapor Adsorption","volume":"179","author":"Alby","year":"2018","journal-title":"Sol. Energy Mater. Sol. Cells"},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"10024","DOI":"10.1021\/ja00051a040","article-title":"UFF, a Full Periodic Table Force Field for Molecular Mechanics and Molecular Dynamics Simulations","volume":"114","author":"Casewit","year":"1992","journal-title":"J. Am. Chem. Soc."},{"key":"ref_33","doi-asserted-by":"crossref","first-page":"234505","DOI":"10.1063\/1.2121687","article-title":"A General Purpose Model for the Condensed Phases of Water: TIP4P\/2005","volume":"123","author":"Abascal","year":"2005","journal-title":"J. Chem. Phys."},{"key":"ref_34","doi-asserted-by":"crossref","first-page":"3093","DOI":"10.1021\/jp003882x","article-title":"Monte Carlo Calculations for Alcohols and Their Mixtures with Alkanes. Transferable Potentials for Phase Equilibria. 5. United-Atom Description of Primary, Secondary, and Tertiary Alcohols","volume":"105","author":"Chen","year":"2001","journal-title":"J. Phys. Chem. B"},{"key":"ref_35","doi-asserted-by":"crossref","first-page":"11234","DOI":"10.1021\/jp302975c","article-title":"Transferable Potentials for Phase Equilibria-United Atom Description of Five- and Six-Membered Cyclic Alkanes and Ethers","volume":"116","author":"Keasler","year":"2012","journal-title":"J. Phys. Chem. B"},{"key":"ref_36","doi-asserted-by":"crossref","first-page":"1051","DOI":"10.1515\/pac-2014-1117","article-title":"Physisorption of Gases, with Special Reference to the Evaluation of Surface Area and Pore Size Distribution (IUPAC Technical Report)","volume":"87","author":"Thommes","year":"2015","journal-title":"Pure Appl. Chem."},{"key":"ref_37","unstructured":"Rouquerol, F., Rouquerol, J., and Sing, K.S.W. (1999). Adsorption by Powders and Porous Solids, Academic Press."},{"key":"ref_38","doi-asserted-by":"crossref","first-page":"45","DOI":"10.1016\/0021-9517(72)90151-0","article-title":"X, Y, Aluminum-Deficient and Ultrastable Faujasite-Type Zeolites: 2. Acidic strength and aluminum site reactivity","volume":"27","author":"Beaumont","year":"1972","journal-title":"J. Catal."},{"key":"ref_39","doi-asserted-by":"crossref","first-page":"218","DOI":"10.1016\/0021-9517(72)90052-8","article-title":"X, Y, Aluminum-Deficient and Ultrastable Faujasite-Typezeolites. 1. Acidic and Structural Properties","volume":"26","author":"Beaumont","year":"1972","journal-title":"J. Catal."},{"key":"ref_40","doi-asserted-by":"crossref","first-page":"288","DOI":"10.1016\/0021-9517(73)90076-6","article-title":"X, Y, Aluminum-Deficient, and Ultrastable Faujasite-Type Zeolites: 3. Catalytic Activity","volume":"30","author":"Barthomeuf","year":"1973","journal-title":"J. Catal."},{"key":"ref_41","doi-asserted-by":"crossref","first-page":"559","DOI":"10.1021\/cr00035a006","article-title":"Inorganic Solid Acids and Their Use in Acid-Catalysed Hydrocarbon Reactions","volume":"95","author":"Corma","year":"1995","journal-title":"Chem. Rev."},{"key":"ref_42","doi-asserted-by":"crossref","first-page":"1547","DOI":"10.1021\/acs.jced.5b00927","article-title":"Adsorption Equilibria of Water Vapor on Zeolite 3A, Zeolite 13X, and Dealuminated Y Zeolite","volume":"61","author":"Kim","year":"2016","journal-title":"J. Chem. Eng. Data"},{"key":"ref_43","doi-asserted-by":"crossref","first-page":"41383","DOI":"10.1021\/acsami.9b14367","article-title":"Water\u2013Ethanol and Methanol\u2013Ethanol Separations Using In Situ Confined Polymer Chains in a Metal\u2013Organic Framework","volume":"11","author":"Tang","year":"2019","journal-title":"ACS Appl. Mater. Interfaces"},{"key":"ref_44","doi-asserted-by":"crossref","first-page":"6495","DOI":"10.1039\/C9CC02439E","article-title":"A Robust Etb-Type Metal\u2013Organic Framework Showing Polarity-Exclusive Adsorption of Acetone over Methanol for Their Azeotropic Mixture","volume":"55","author":"Hu","year":"2019","journal-title":"Chem. Commun."},{"key":"ref_45","doi-asserted-by":"crossref","first-page":"1451","DOI":"10.1021\/j100109a033","article-title":"Cyclohexane in ZSM 5. 1. FTIR and x-Ray Studies","volume":"97","author":"Muller","year":"1993","journal-title":"J. Phys. Chem."},{"key":"ref_46","doi-asserted-by":"crossref","first-page":"121","DOI":"10.1002\/aic.690110125","article-title":"Thermodynamics of Mixed-Gas Adsorption","volume":"11","author":"Myers","year":"1965","journal-title":"AIChE J."},{"key":"ref_47","doi-asserted-by":"crossref","unstructured":"Benzaria, S., Mamontova, E., Guari, Y., Larionova, J., Long, J., Trens, P., Salles, F., and Zajac, J. (2021). Heat Release Kinetics upon Water Vapor Sorption Using Cation-Exchanged Zeolites and Prussian Blue Analogues as Adsorbents: Application to Short-Term Low-Temperature Thermochemical Storage of Energy. Energies, 14.","DOI":"10.3390\/en14123505"},{"key":"ref_48","doi-asserted-by":"crossref","first-page":"4317","DOI":"10.1021\/acssuschemeng.2c05369","article-title":"On the Use of Water and Methanol with Zeolites for Heat Transfer","volume":"11","author":"Calero","year":"2023","journal-title":"ACS Sustain. Chem. Eng."}],"container-title":["Nanomaterials"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/2079-4991\/14\/2\/213\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,10]],"date-time":"2025-10-10T13:45:34Z","timestamp":1760103934000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/2079-4991\/14\/2\/213"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,1,18]]},"references-count":48,"journal-issue":{"issue":"2","published-online":{"date-parts":[[2024,1]]}},"alternative-id":["nano14020213"],"URL":"https:\/\/doi.org\/10.3390\/nano14020213","relation":{},"ISSN":["2079-4991"],"issn-type":[{"value":"2079-4991","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,1,18]]}}}