Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/12666
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dc.contributor.authorBayram, Abdullahtr
dc.contributor.authorFarzaneh, Amirtr
dc.contributor.authorEsrafili, Mehdi D.tr
dc.contributor.authorOkur, Salihtr
dc.contributor.authorÖzdemir, Ekremtr
dc.date.accessioned2022-12-12T11:09:20Z-
dc.date.available2022-12-12T11:09:20Z-
dc.date.issued2023-02-
dc.identifier.urihttps://doi.org/10.1016/j.chemosphere.2022.137334-
dc.identifier.urihttps://hdl.handle.net/11147/12666-
dc.description.abstractAir is the most critical and necessary for life, and air quality significantly impacts people's health. Both indoor and outdoor pollution frequently contain volatile organic compounds (VOCs). Such contaminants provide immediate or long-term health risks to the living system. The present study investigates sorption characteristics of VOCs on hollow nano calcite (CaCO3) particles with 250 nm and 40 nm pore sizes to remove from the air ambient using the quartz crystal microbalance (QCM) technique at room temperature both experimentally and theoretically. The results were supported by density functional theory (DFT), and adsorption-desorption characteristics were studied with Langmuir adsorption isotherms. The QCM measurements showed a stable signal without having hysteresis, and the response of polar VOCs on hollow nano-CaCO3 particles such as ethanol, propanol, and humidity with higher polarity was less compared to solvents such as chloroform and dichloromethane, which revealed that the surfaces of CaCO3 particles have mostly non-polar properties. CaCO3 surface and VOC molecule interactions overlap with the Langmuir model. With DFT calculations, VOC and water molecule adsorption changes the CaCO3 Egap. Our findings show that the ΔEgap values increase as chloroform > dichloromethane > propanol > ethanol > water. This order suggests that the sensing response of the hollow CaCO3 structure is linearly proportional to the adsorption energies of VOC and water. The linear adsorption characteristics, high sensing response, and short recovery time illustrated that the newly synthesized nano-CaCO3 could be implemented as a new VOC adsorbent material for health, environmental sustainability, and in vitro microbiome cultures.en_US
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.relation.ispartofChemosphereen_US
dc.rightsinfo:eu-repo/semantics/embargoedAccessen_US
dc.subjectDensity functional theoryen_US
dc.subjectLangmuir adsorption isothermen_US
dc.subjectQuartz crystal microbalanceen_US
dc.subjectVOC adsorbentsen_US
dc.titleHollow nano-CaCO3's VOC sensing properties: A DFT calculation and experimental assessmentsen_US
dc.typeArticleen_US
dc.authorid0000-0002-5117-5834en_US
dc.institutionauthorÖzdemir, Ekremen_US
dc.departmentİzmir Institute of Technology. Chemical Engineeringen_US
dc.identifier.wosWOS:000904130900009en_US
dc.identifier.scopus2-s2.0-85142726205en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıtr
dc.identifier.doi10.1016/j.chemosphere.2022.137334-
dc.identifier.pmid36427584-
dc.relation.issn0045-6535en_US
dc.description.volume313en_US
dc.identifier.scopusqualityQ1-
item.languageiso639-1en-
item.cerifentitytypePublications-
item.grantfulltextembargo_20250201-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.openairetypeArticle-
item.fulltextWith Fulltext-
crisitem.author.dept04.05. Department of Pyhsics-
crisitem.author.dept03.02. Department of Chemical Engineering-
Appears in Collections:Chemical Engineering / Kimya Mühendisliği
PubMed İndeksli Yayınlar Koleksiyonu / PubMed Indexed Publications Collection
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
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