Carbonate chemistry parameters calculated from measured pH, total alkalinity, salinity and temperature in the alkalization mesocosms of a chronic Ostrea edulis alkalinity-enhancement exposure experiment

https://doi.pangaea.de/10.1594/PANGAEA.996219Rump, MarcoMarcoRump0009-0004-2329-4889Alfred Wegener Institute - Biological Institute HelgolandLannig, GiselaGiselaLannig0000-0002-9210-256XAlfred Wegener Institute, Helmholtz Centre for Polar and Marine Research, BremerhavenBock, ChristianChristianBock0000-0003-0052-3090Alfred Wegener Institute, Helmholtz Centre for Polar and Marine Research, BremerhavenBenthien, AlbertAlbertBenthien0000-0002-9159-3109Alfred Wegener Institute, Helmholtz Centre for Polar and Marine Research, BremerhavenPogoda, BernadetteBernadettePogoda0000-0003-3997-426XAlfred Wegener Institute, Helmholtz Centre for Polar and Marine Research, BremerhavenAntoni, DominikDominikAntoniAlfred Wegener Institute - Biological Institute HelgolandGerdts, GunnarGunnarGerdts0000-0003-0872-3927Alfred Wegener Institute - Biological Institute HelgolandCarbonate chemistry parameters calculated from measured pH, total alkalinity, salinity and temperature in the alkalization mesocosms of a chronic Ostrea edulis alkalinity-enhancement exposure experimentPANGAEA2026ecotoxicologyocean alkalinity enhancementOstrea edulisEvent labelType of studyIncubation typeExperiment daySampling date/time, experimentTreatmentSalinityTemperature, waterpH, NBS scaleHydrogen ion, activity coefficientpH, total scaleAlkalinity, totalpHCarbon dioxide, dissolvedFugacity of carbon dioxide in seawaterPartial pressure of carbon dioxide (water) at sea surface temperature (wet air)Bicarbonate ionCarbonate ionCarbon, inorganic, dissolvedAragonite saturation stateCalcite saturation stateMesocosm experiment2024-04-17T00:00:00/2025-03-12T00:00:00Datasethttps://doi.pangaea.de/10.1594/PANGAEA.996264https://doi.pangaea.de/10.1594/PANGAEA.996220https://doi.pangaea.de/10.1594/PANGAEA.996222https://doi.pangaea.de/10.1594/PANGAEA.996218https://doi.pangaea.de/10.1594/PANGAEA.996216https://doi.pangaea.de/10.1594/PANGAEA.996221https://doi.pangaea.de/10.1594/PANGAEA.996217https://doi.pangaea.de/10.1594/PANGAEA.996214https://doi.pangaea.de/10.1594/PANGAEA.9962151220 data pointstext/tab-separated-valuesCreative Commons Attribution 4.0 InternationalData access is restricted (moratorium, sensitive data, license constraints)This dataset contains calculated carbonate chemistry parameters, including the concentrations of dissolved CO2, HCO3-, CO32- and dissolved inorganic carbon, the fugacity and partial pressure of CO2 and the saturation states of aragonite (Ωarag) and calcite (Ωcalc), for the alkalization mesocosms. Values were calculated from pH, total alkalinity, salinity and temperature measured between 17 April and 19 June 2024, using the seacarb package (Orr et al., 2018) in R (V. 4.3.2). Measured pH values, which refer to the NBS scale, were first converted to the total scale using the total proton activity coefficient fH of Takahashi et al. (1982), lowering pH by 0.12 to 0.13 units across the measured salinity and temperature range. Calculations used the carbonic acid dissociation constants of Lueker et al. (2000), the bisulfate dissociation constant of Dickson (1990), the hydrogen fluoride constant of Perez & Fraga (1987), total boron after Uppström (1974) and the aragonite and calcite solubility products of Mucci (1983), all evaluated at in situ temperature and salinity. The conversion from the NBS to the total scale carries a residual uncertainty of about 0.01 to 0.02 pH units, because the liquid junction potential between the dilute calibration buffers and seawater is not fully captured by fH. This propagates to an uncertainty of roughly 5 to 15 % in calculated pCO2 and a correspondingly smaller uncertainty in the saturation states.7.88894454.180327Helgoland, GermanyBundesamt für Naturschutzhttps://doi.org/10.13039/5011000104153522830300DEFINE2