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

DOI

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 exposure mesocosms. Values were calculated from pH, total alkalinity, salinity and temperature measured between 8 May and 10 July 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.

Identifier
DOI https://doi.pangaea.de/10.1594/PANGAEA.996220
Related Identifier IsPartOf https://doi.pangaea.de/10.1594/PANGAEA.996264
Related Identifier References https://doi.pangaea.de/10.1594/PANGAEA.996219
Related Identifier References https://doi.pangaea.de/10.1594/PANGAEA.996222
Related Identifier References https://doi.pangaea.de/10.1594/PANGAEA.996218
Related Identifier References https://doi.pangaea.de/10.1594/PANGAEA.996216
Related Identifier References https://doi.pangaea.de/10.1594/PANGAEA.996221
Related Identifier References https://doi.pangaea.de/10.1594/PANGAEA.996217
Related Identifier References https://doi.pangaea.de/10.1594/PANGAEA.996214
Related Identifier References https://doi.pangaea.de/10.1594/PANGAEA.996215
Metadata Access https://ws.pangaea.de/oai/provider?verb=GetRecord&metadataPrefix=datacite4&identifier=oai:pangaea.de:doi:10.1594/PANGAEA.996220
Provenance
Creator Rump, Marco ORCID logo; Lannig, Gisela (ORCID: 0000-0002-9210-256X); Bock, Christian ORCID logo; Benthien, Albert ORCID logo; Pogoda, Bernadette (ORCID: 0000-0003-3997-426X); Antoni, Dominik; Gerdts, Gunnar ORCID logo
Publisher PANGAEA
Publication Year 2026
Funding Reference Bundesamt für Naturschutz https://doi.org/10.13039/501100010415 Crossref Funder ID 3522830300 https://www.awi.de/en/science/biosciences/shelf-sea-system-ecology/main-research-focus/european-oyster/translate-to-english-define.html DEFINE2
Rights Creative Commons Attribution 4.0 International; Data access is restricted (moratorium, sensitive data, license constraints); https://creativecommons.org/licenses/by/4.0/
OpenAccess false
Representation
Resource Type Dataset
Format text/tab-separated-values
Size 1200 data points
Discipline Earth System Research
Spatial Coverage (7.889 LON, 54.180 LAT); Helgoland, Germany
Temporal Coverage Begin 2024-04-17T00:00:00Z
Temporal Coverage End 2025-03-12T00:00:00Z