Understanding the effects of amine and morpholine adsorption on unglazed earthenware using density functional theory.
• Amines off-gassed from polyester polyurethane foam can impact museum objects. • DFT is used here to probe interactions between clay mineral surfaces and amines. • Energetically favorable interactions observed when kaolinic surfaces are exposed. • Surface dehydration is key factor in how reactive a...
| Publicado en: | Journal of Cultural Heritage Vol. 61; pp. 168 - 177 |
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| Autores principales: | , , |
| Formato: | Artículo |
| Publicado: |
Elsevier B.V.
May2023
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| Materias: | |
| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=164260517&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 164260517 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 12962074 KK8 jtl: Journal of Cultural Heritage issn: 12962074 maglogo: N pubinfo: dt: May2023 vid: 61 pid: 467 pub: Elsevier B.V. artinfo: ui: 164260517 10.1016/j.culher.2023.04.002 ppf: 168 ppct: 9 formats: tig: atl: Understanding the effects of amine and morpholine adsorption on unglazed earthenware using density functional theory. aug: au: Heimann, Jessica E. Rosenzweig, Zeev Bennett, Joseph W. affil: Department of Chemistry and Biochemistry, University of Maryland Baltimore County, Baltimore, MD 21250, USA su: Density functional theory Pottery Morpholine Urethane foam Amines sug: subj: Density functional theory Pottery Morpholine Urethane foam Amines keyword: Adsorption Density functional theory (DFT) Kaolinite Metakaolin Morpholines ab: • Amines off-gassed from polyester polyurethane foam can impact museum objects. • DFT is used here to probe interactions between clay mineral surfaces and amines. • Energetically favorable interactions observed when kaolinic surfaces are exposed. • Surface dehydration is key factor in how reactive a structure is toward amines. • Special precautions are recommended when storing unglazed earthenware objects. Recent efforts within the field of conservation science have focused on understanding how chemicals off-gassed from common storage materials impact museum objects. One source of particular concern is the identification of amines and morpholines as chemicals volatilized from polyester polyurethane foam, which is used extensively as crate padding for artwork storage and transport. Although a white-colored efflorescence on the surface of objects has been linked with amines off-gassed from these foams, little is known about the surface interactions that lead to these deposits. In the present work, periodic density functional theory (DFT) is used to investigate the molecular-level interactions that occur when clay mineral surfaces (such as those encountered in unglazed earthenware objects) are exposed to amines and alkylmorpholines. The data obtained here show that energetically favorable interactions are observed when kaolinite, partially dehydrated kaolinite, and metakaolin surfaces are exposed to different categories of amines including neutral amines, amine salts, morpholines, and morpholinium salts. Furthermore, it is demonstrated that surface dehydration is a key factor in how reactive a structure is toward these amine adsorbates. Special precautions are therefore recommended when storing unglazed earthenware in the presence of polyester polyurethane foam. [Display omitted] pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2023 holdings: @attributes: islocal: N |
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