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标题：Determining freshwater pCO 2 based on geochemical calculation and modelling using PHREEQC
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作者：Leonie Pötter ; Ralph Tollrian ; Frank Wisotzky 等
期刊名称：MethodsX
印刷版ISSN：2215-0161
电子版ISSN：2215-0161
出版年度：2021
卷号：8
页码：1-13
DOI：10.1016/j.mex.2021.101430
语种：English
出版社：Elsevier
摘要：AbstractFossil fuel combustion results in rising atmospheric carbon dioxide (CO2), which is known to impact the global climate and the oceans. Latest insights indicate that rising atmospheric CO2levels also affect CO2partial pressure (pCO2) in freshwaters, wherepCO2is controlled by a multitude of parameters. However, up to date there is no standardized method, which allows the determination of current and past freshwaterpCO2levels. Ideally methods should incorporate numerous hydrogeochemical and -physical factors to reflect the interplay of all interacting components and their effect onpCO2. We here describe the application of the geochemical program PHREEQC. This freeware serves as an easy method enabling a plausible and comprehensive analysis ofpCO2for field, laboratory, and especially long-term data. We present the use of the different input parameters of a laboratory- and a field long-term monitoring dataset including dissociation constants of carbonic acid measured as total inorganic carbon (TIC) and total CO2concentration (TCO2) or total alkalinity (TA), together with hydrogeochemical and -physical parameters. Based on current literature and our analyses PHREEQC appears a solid strategy to determine freshwaterpCO2that can moreover be used for long-term datasets.•Comprehensive analysis ofpCO2for field, laboratory, and long-term data.•PHREEQC is not dependent on just one sampling method or parameter scheme.•PHREEQC includes testing the plausibility of a water analysis and enables the assessment of the quality of the laboratory analysis, as well as automatic calculation of all relevant aquatic complexes.Graphical AbstractDisplay Omitted
关键词：PHREEQC;pCO2;Freshwater acidification;Total CO2 concentration (TCO2);Total alkalinity (TA);Total inorganic carbon (TIC);Long–term data;pCO2–linked–process components;Climate change;Global carbon cycle