{"refrec":{"BRefID":349291,"RR":"<b>Zhu, K.; Birchill, A.J.; Milne, A.; Ussher, S.; Humphreys, M.P.; Carr, N.; Mahaffey, C.; Lohan, M.C.; Achterberg, E.P.; Gledhill, M.</b> (2021). Equilibrium calculations of iron speciation and apparent iron solubility in the Celtic Sea at ambient seawater pH using the NICA-Donnan model. <i>Mar. Chem. 237</i>: 104038. <a href=\"https://dx.doi.org/10.1016/j.marchem.2021.104038\" target=\"_blank\">https://dx.doi.org/10.1016/j.marchem.2021.104038</a>","BEntID":346986,"PublicFlag":1,"CheckedFlag":0,"wosflag":1,"vabbflag":1,"RefStringPartII":". <i>Mar. Chem. 237</i>: 104038. <a href=\"https://dx.doi.org/10.1016/j.marchem.2021.104038\" target=\"_blank\">https://dx.doi.org/10.1016/j.marchem.2021.104038</a>","DocTypID":8,"DocType":"Journal article","MarineFlag":0,"FreshFlag":0,"BrackishFlag":0,"TerrestrialFlag":0,"Authorstring":"Zhu, K.; Birchill, A.J.; Milne, A.; Ussher, S.; Humphreys, M.P.; Carr, N.; Mahaffey, C.; Lohan, M.C.; Achterberg, E.P.; Gledhill, M.","OrigTitleTranslFlag":0,"Authorstringtrunc":"Zhu, K. <i>et al.</i>","Englishabstract":" We used a combined ion pairing - organic matter speciation model    (NICA-Donnan) to predict the organic complexation of iron (Fe) at ambient    pH and temperature in the Celtic Sea. We optimized our model by direct    comparison with Fe speciation determined by Adsorptive Cathodic Stripping    Voltammetry using the added Fe-binding ligand 1-nitroso-2-naphthol (HNN) in    the presence and absence of natural organic matter. We compared determined    Fe speciation with simulated titrations obtained via application of the    NICA-Donnan model with four different NICA parameter sets representing a    range of binding site strengths and heterogeneities. We tested the    assumption that binding sites scale to dissolved organic carbon (DOC)    concentrations in marine waters. We found that a constant low DOC    concentration resulted in an improved fit of our titration data to the    simulated titrations, suggesting that inputs of autochthonous marine DOM    may not increase the heterogeneity or concentrations of Fe binding sites.    Using the optimal parameter set, we calculated pFe(III)´ (−log(∑<em>Fe</em>    (<em>OH</em>)<em><sub>i</sub></em><sup>3−<em>i</em></sup>)) and apparent    Fe(III) solubility (SFe(<em>III</em>)<sub>app</sub>) at ambient pH andtemperature in the water column of the Celtic Sea. SFe(<em>III</em>)    <sub>app</sub> was defined as the sum of aqueous inorganic Fe(III) species    and Fe(III) bound to DOM formed at a free Fe (Fe<sup>3+</sup>)concentration equal to the limiting solubility of Fe hydroxide (Fe(OH)    <sub>3</sub>(s)). SFe(<em>III</em>)<sub>app</sub> was within range of the    determined dissolved Fe concentrations observed after winter mixing on the    shelf and in waters >1500 m depth at our most offshore stations. Our    study supports the hypothesis that the ocean dissolved Fe inventory is    controlled by the interplay between Fe solubility and Fe binding by organic    matter, although the overall number of metal binding sites in the marine    environment may not be directly scalable to DOC concentrations.","AbstractOtherLang":null,"BibLvlCode":"AS","StandardTitle":"Equilibrium calculations of iron speciation and apparent iron solubility in the Celtic Sea at ambient seawater pH using the NICA-Donnan model","OrigTitleLangCode":"en","OrigTitleLangCodeExtended":"eng","OrigTitleLangID":15,"DateLastModified":{"date":"2026-04-19 01:32:14.455124","timezone_type":1,"timezone":"+02:00"},"UserAccessRight":null,"UserAccID":null,"AuthorKeywords":"Trace metals; Ocean acidification; Intrinsic binding constants","OtherDescriptors":null,"Notes":null,"AnaPub":2021,"MonPub":null,"DateUpdate":"2022-01-27","DateCreate":"2022-01-25","SecASFANote":null,"ConfID":null,"PeerRev":1,"VlizCoreFlag":1,"WoScode":"WOS:000720846400003","VABBcode":null,"OpenAcc":1,"DOI":"10.1016/j.marchem.2021.104038"},"refs":null,"anarec":{"AnaID":349291,"PubliDate":2021,"Pagination":"104038","XtraPublOfAnaID":null,"ISBN":null,"Volume":"237","Issue":null,"BRefMon":null,"BRefMonRR":null,"BRefXtra":null,"BRefXtraRR":null,"SerBRefID":43353,"SerRR":"Marine Chemistry. 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