{"refrec":{"BRefID":352885,"RR":"<b>Humphreys, M.P.; Lewis, E.R.; Sharp, J.D.; Pierrot, D.</b> (2022). PyCO2SYS v1.8: marine carbonate system calculations in Python. <i>Geosci. Model Dev. 15(1)</i>: 15-43. <a href=\"https://dx.doi.org/10.5194/gmd-15-15-2022\" target=\"_blank\">https://dx.doi.org/10.5194/gmd-15-15-2022</a>","BEntID":350594,"PublicFlag":1,"CheckedFlag":0,"wosflag":1,"vabbflag":1,"RefStringPartII":". <i>Geosci. Model Dev. 15(1)</i>: 15-43. <a href=\"https://dx.doi.org/10.5194/gmd-15-15-2022\" target=\"_blank\">https://dx.doi.org/10.5194/gmd-15-15-2022</a>","DocTypID":8,"DocType":"Journal article","MarineFlag":0,"FreshFlag":0,"BrackishFlag":0,"TerrestrialFlag":0,"Authorstring":"Humphreys, M.P.; Lewis, E.R.; Sharp, J.D.; Pierrot, D.","OrigTitleTranslFlag":0,"Authorstringtrunc":"Humphreys, M.P. <i>et al.</i>","Englishabstract":" Oceanic dissolved inorganic carbon (<i>T</i><sub>C</sub>) is the largest    pool of carbon that substantially interacts with the atmosphere on human    timescales. Oceanic <i>T</i><sub>C</sub> is increasing through uptake of    anthropogenic carbon dioxide (CO<sub>2</sub>), and seawater pH is    decreasing as a consequence. Both the exchange of CO<sub>2</sub> between    the ocean and atmosphere and the pH response are governed by a set of    parameters that interact through chemical equilibria, collectively known as    the marine carbonate system. To investigate these processes, at least two    of the marine carbonate system's parameters are typically measured – mostcommonly, two from <i>T</i><sub>C</sub>, total alkalinity (<i>A</i>    <sub>T</sub>), pH, and seawater CO<sub>2</sub> fugacity (; or its partial    pressure, , or its dry-air mole fraction, ) – from which the remaining    parameters can be calculated and the equilibrium state of seawater solved.    Several software tools exist to carry out these calculations, but no fully    functional and rigorously validated tool written in Python, a popular    scientific programming language, was previously available. Here, we present    PyCO2SYS, a Python package intended to fill this capability gap. We    describe the elements of PyCO2SYS that have been inherited from the    existing CO2SYS family of software and explain subsequent adjustments and    improvements. For example, PyCO2SYS uses automatic differentiation to solve    the marine carbonate system and calculate chemical buffer factors, ensuring    that the effect of every modelled solute and reaction is accurately    included in all its results. We validate PyCO2SYS with internal consistency    tests and comparisons against other software, showing that PyCO2SYS    produces results that are either virtually identical or different for known    reasons, with the differences negligible for all practical purposes. We    discuss insights that guided the development of PyCO2SYS: for example, the    fact that the marine carbonate system cannot be unambiguously solved from    certain pairs of parameters. Finally, we consider potential future    developments to PyCO2SYS and discuss the outlook for this and other    software for solving the marine carbonate system. The code for PyCO2SYS is    distributed via GitHub (    <a href=\"https://github.com/mvdh7/PyCO2SYS\" target=\"_blank\">        https://github.com/mvdh7/PyCO2SYS    </a>    , last access: 23 December 2021) under the GNU General Public License v3,    archived on Zenodo (    <a href=\"https://gmd.copernicus.org/articles/15/15/2022/#bib1.bibx36\">        Humphreys et al.    </a>    ,    <a href=\"https://gmd.copernicus.org/articles/15/15/2022/#bib1.bibx36\">        2021    </a>    ), and documented online (    <a href=\"https://pyco2sys.readthedocs.io/en/latest/\" target=\"_blank\">        https://pyco2sys.readthedocs.io/en/latest/    </a>    , last access: 23 December 2021).","AbstractOtherLang":null,"BibLvlCode":"AS","StandardTitle":"PyCO2SYS v1.8: marine carbonate system calculations in Python","OrigTitleLangCode":"en","OrigTitleLangCodeExtended":"eng","OrigTitleLangID":15,"DateLastModified":{"date":"2026-04-20 01:32:51.110148","timezone_type":1,"timezone":"+02:00"},"UserAccessRight":null,"UserAccID":null,"AuthorKeywords":null,"OtherDescriptors":null,"Notes":null,"AnaPub":2022,"MonPub":null,"DateUpdate":"2022-06-23","DateCreate":"2022-06-23","SecASFANote":null,"ConfID":null,"PeerRev":1,"VlizCoreFlag":1,"WoScode":"WOS:000739379700001","VABBcode":null,"OpenAcc":1,"DOI":"10.5194/gmd-15-15-2022"},"refs":null,"anarec":{"AnaID":352885,"PubliDate":2022,"Pagination":"15-43","XtraPublOfAnaID":null,"ISBN":null,"Volume":"15","Issue":"1","BRefMon":null,"BRefMonRR":null,"BRefXtra":null,"BRefXtraRR":null,"SerBRefID":209852,"SerRR":"Geoscientific Model Development. Copernicus Publications: Göttingen.  ISSN 1991-959X; e-ISSN 1991-9603","StandardTitleSer":"Geoscientific Model Development","ISSN":"1991-959X","AbbrevSer":"Geosci. Model Dev.","StandardTitleMon":null,"StartPage":15,"Pages":29,"ToPubliDate":null,"BRefBibLvlCode":"S","SerNotes":null},"monrec":null,"serrec":null,"relations":null,"relationsRev":null,"addrec":null,"othpubs":null,"ownerships":null,"authors":[{"AutName":"Humphreys","Firstname":"Matthew","Initials":"M.P.","Affiliation":null,"Discriminator":null,"CorporateFlag":0,"BEntID":350594,"AutID":455135,"OrderNr":1,"DegrID":null,"EditorFlag":0,"CorrespFlag":0,"IllustratorFlag":0,"ReviserFlag":0,"TranslatorFlag":0,"InsAcronym":"OCS","InsFSN":"Koninklijk Nederlands Instituut voor Onderzoek der Zee; Ocean Sciences","ORCID":"0000-0002-9371-7128","PersID":39458,"InsID":13654},{"AutName":"Lewis","Firstname":"Ernie","Initials":"E.R.","Affiliation":null,"Discriminator":null,"CorporateFlag":0,"BEntID":350594,"AutID":490575,"OrderNr":2,"DegrID":null,"EditorFlag":0,"CorrespFlag":0,"IllustratorFlag":0,"ReviserFlag":0,"TranslatorFlag":0,"InsAcronym":null,"InsFSN":null,"ORCID":null,"PersID":null,"InsID":null},{"AutName":"Sharp","Firstname":"Jonathan","Initials":"J.D.","Affiliation":null,"Discriminator":null,"CorporateFlag":0,"BEntID":350594,"AutID":443693,"OrderNr":3,"DegrID":null,"EditorFlag":0,"CorrespFlag":0,"IllustratorFlag":0,"ReviserFlag":0,"TranslatorFlag":0,"InsAcronym":null,"InsFSN":null,"ORCID":null,"PersID":null,"InsID":null},{"AutName":"Pierrot","Firstname":"Denis","Initials":"D.","Affiliation":null,"Discriminator":null,"CorporateFlag":0,"BEntID":350594,"AutID":256062,"OrderNr":4,"DegrID":null,"EditorFlag":0,"CorrespFlag":0,"IllustratorFlag":0,"ReviserFlag":0,"TranslatorFlag":0,"InsAcronym":null,"InsFSN":null,"ORCID":null,"PersID":null,"InsID":null}],"mapdetails":null,"datasets":null,"monographs":null,"monparts":null,"serparts":null,"BEntOpen":350594,"BEntPrivate":null,"availability":[{"BInstID":378183,"LibID":2779,"BRefID":352885,"EmbargoDate":null,"FullEmbargoDate":null,"PhysMedID":16,"hasOCRd":1,"ShelfLocCode":"378183","RFID":null,"PaidValue":null,"Medium":"Server","Description":null,"Acronym":null,"Library":"NIOZ","DutchTerm":null,"URL":null,"ClassifID":260,"Classification":"NIOZ Open Repository","ReqLink":null,"ClassifTypID":1,"URLLocation":"https://www.vliz.be/imisdocs/publications/","SubDir":1,"InternalReq":null,"LoggedInReq":null,"Disclaimer":"Disclaimer_NIOZ","DutchDisclaimer":null,"FileFormat":".pdf","FileDescr":"pdf","InsPub":1,"InsID":397,"FileFormID":6,"LendableFlag":null,"PublicFlag":1,"orderLib":"NIOZ","Notes":null,"AccConID":21,"AccessConstraint":"Attribution (CC BY)","LicURL":"https://creativecommons.org/licenses/by/4.0/"}],"litstyles":null,"thespers":null,"arch2discl":805,"SERpubls":[{"PublName":"Copernicus Publications","City":"Göttingen"}],"MONpubls":null,"pictures":[],"thestermsPath":null,"thestermsASFA":null,"taxtermsASFA":null,"geotermsASFA":null,"collections":null,"conf":null,"proj":null,"Physdatasets":null,"spcols":{"805":{"SpName":"Koninklijk Nederlands Instituut voor Onderzoek der Zee","SpColID":805,"ParSpColID":null,"TopParID":null,"ShortName":"NIOZ","URLLocation":"https://www.vliz.be/imis/nioz/imis.php?refid=","LibID":2779,"OpenRepoFlag":1,"SpTypID":1,"TopParIDNotWebsite":null,"SpColPath":"NIOZ"}},"doi":null,"publs":null,"serparttypes":null,"monauthors":null,"MParts":null,"SParts":null,"hLibs":null,"langs":[{"BEntID":350594,"AbstractFlag":0,"LangID":15,"LangCode":"en","Lang":"English","DutchTerm":"Engels","LangCodeExtended":"eng"},{"BEntID":350594,"AbstractFlag":1,"LangID":15,"LangCode":"en","Lang":"English","DutchTerm":"Engels","LangCodeExtended":"eng"}],"urls":[{"URL":"https://dx.doi.org/10.5194/gmd-15-15-2022","externalID":"10.5194/gmd-15-15-2022","URLTypeCode":"DOI","URLID":103582,"URLTypID":13,"URLType":"DOI","URLPrefix":"http://dx.doi.org/"}],"thesterms":null,"taxterms":null,"geoterms":null,"othterms":null,"asfacodes":null,"asfa2codes":null,"thestermsFRIS":null,"taxtermsFRIS":null,"geotermsFRIS":null,"othtermsFRIS":null,"resmessage":"","complete":1,"sessions":{"newSesName":"daan.van.loon@nioz.nl","newSesDate":{"date":"2022-06-23 09:30:06.477000","timezone_type":3,"timezone":"Europe/Brussels"},"updSesName":"daan.van.loon@nioz.nl","updSesDate":{"date":"2022-06-23 09:30:06.477000","timezone_type":3,"timezone":"Europe/Brussels"}}}