Data for: Competitive and Cooperative Effects of Chloride on Palladium(II) Adsorption to Iron (Oxyhydr)oxides: Implications for Mobility During Weathering

Data package for manuscript "Competitive and Cooperative Effects of Chloride on Palladium(II) Adsorption to Iron (Oxyhydr)oxides: Implications for Mobility During Weathering" by Emily G. Wright, Xicheng He, Elaine D. Flynn, Daniel E. Giammar, and Jeffrey G. Catalano. The manuscript will be submitted to Geochimica et Cosmochimica Acta. This dataset contains adsorption results from experiments designed to investigate the effect of chloride on Pd(II) adsorption to hematite and 2-line ferrihydrite. This includes lab experiments reacting suspensions of the minerals with various amounts of Pd and chloride at pH 4. We also characterized adsorbed Pd with X-ray absorption fine structure spectroscopy. The file "Wright2024_PdAds_data.csv" contains the target starting Pd concentration (uM), final aqueous Pd and associated error (in uM), calculated adsorbed Pd and associated error (in umol/m2), aqueous chloride (mM), final pH, mineral concentration/loading (in g/L), and the calculated activity of the Pd++ aqueous species (not calculated for pH 3 samples or mineral free controls). Associated mineral-free controls (mineral loading = 0 g/L) are included; the aqueous Pd error was not calculated. These data appear in Figures 1, 2, 4, 7, S2, S3, S8, and S9 and Tables 1 and S2 in the associated manuscript. The file "Wright2024_MineralBatches_data.csv" contains the mineral identity and BET specific surface area (in m2/g) for every mineral batch used in experiments. These data appear in Table S1 in the associated manuscript. The file "Wright2024_XRD_data.csv" contains the powder X-ray diffraction patterns of synthesized batches of hematite and 2-line ferrihydrite. Labels starting with "H" were hematite samples; labels starting with "F" were 2-line ferrihydrite samples. Note that the data were collected under variable conditions that are detailed in the manuscript. These data appear in Figure S1 in the associated manuscript. The file "Wright 2024_ZetaPotential_data.csv" contains the measured zeta potentials for samples of hematite (batch H4) and ferrihydrite (batch F2) at pH 4 in the presence of varying amounts of sodium chloride. Chloride was not measured in these samples. These data appear in Table 2 in the associated manuscript. The file "Wright2024_XAFSSamples_data.csv" contains the specific mineral batch, measured final aqueous Pd (in uM), measured final aqueous chloride (in mM), and estimated adsorbed Pd (in umol/m2) of all XAFS samples. These data appear in Tables 3 and S4 in the associated manuscript. The file "Wright2024_XAFS_data.csv" contains the normalized XAFS spectra of samples of Pd adsorbed to hematite and 2-line ferrihydrite at varying chloride concentrations, as well as reference materials PdO and PdCl2. See "Wright2024_XAFSSamples_data.csv" for a guide to sample names for experimental samples. H05h is equivalent to H0.5h and F05h is equivalent to F0.5h. These data appear in Figures 5, S4, S5, and S6 in the associated manuscript.本数据集配套于由Emily G. Wright、Xicheng He、Elaine D. Flynn、Daniel E. Giammar及Jeffrey G. Catalano撰写的学术手稿"氯离子对钯(II)在铁（羟基）氧化物上吸附的竞争与协同效应：风化过程中迁移性的启示"，该手稿拟投稿至《Geochimica et Cosmochimica Acta》。本数据集包含为探究氯离子对钯(II) (Palladium(II))在赤铁矿 (hematite)与两线水铁矿 (2-line ferrihydrite)上吸附的影响所开展实验的吸附结果。实验内容包括在pH=4条件下，将矿物悬浊液与不同剂量的钯与氯离子进行反应的室内实验。本研究还通过X射线吸收精细结构光谱 (X-ray absorption fine structure spectroscopy)对吸附态钯进行了表征。 文件"Wright2024_PdAds_data.csv"包含以下数据：目标初始钯浓度（单位：uM）、最终水相钯浓度及其误差（单位：uM）、计算得到的吸附态钯浓度及其误差（单位：umol/m²）、水相氯离子浓度（单位：mM）、最终pH值、矿物浓度/投加量（单位：g/L），以及计算得到的水相Pd++物种活度（pH=3的样品与无矿物对照组未计算该活度）。数据集包含配套的无矿物对照组（矿物投加量=0 g/L），但未计算该组的水相钯误差。上述数据对应配套手稿中的图1、图2、图4、图7、补充图S2、补充图S3、补充图S8、补充图S9以及表1和补充表S2。 文件"Wright2024_MineralBatches_data.csv"包含实验所用全部矿物批次的矿物种类与BET比表面积 (BET specific surface area)（单位：m²/g）。上述数据对应配套手稿中的补充表S1。 文件"Wright2024_XRD_data.csv"包含合成制备的赤铁矿与两线水铁矿批次的粉末X射线衍射 (powder X-ray diffraction)图谱。以"H"开头的标记为赤铁矿样品，以"F"开头的标记为两线水铁矿样品。请注意，本数据的采集条件存在差异，具体细节详见手稿正文。上述数据对应配套手稿中的补充图S1。 文件"Wright 2024_ZetaPotential_data.csv"包含在pH=4条件下、不同氯化钠剂量存在时赤铁矿（批次H4）与水铁矿（批次F2）样品的实测ζ电位 (zeta potential)。本批次样品未测定氯离子浓度。上述数据对应配套手稿中的表2。 文件"Wright2024_XAFSSamples_data.csv"包含所有X射线吸收精细结构光谱（XAFS）样品的具体矿物批次、实测最终水相钯浓度（单位：uM）、实测最终水相氯离子浓度（单位：mM）以及估算的吸附态钯浓度（单位：umol/m²）。上述数据对应配套手稿中的表3和补充表S4。 文件"Wright2024_XAFS_data.csv"包含不同氯离子浓度下吸附于赤铁矿与两线水铁矿的钯样品，以及参比物质PdO与PdCl2的归一化XAFS光谱。实验样品的命名规则详见"Wright2024_XAFSSamples_data.csv"。其中H05h等同于H0.5h，F05h等同于F0.5h。上述数据对应配套手稿中的图5、补充图S4、补充图S5以及补充图S6。