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H–O–B–Li isotope systematics for assessing slab-derived fluids: Importance of postdehydration processes 用于评估平板衍生流体的H-O-B-Li同位素系统:脱水后过程的重要性
IF 3.4 3区 地球科学 Q1 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2026-01-01 Epub Date: 2025-12-26 DOI: 10.1016/j.apgeochem.2025.106667
Rofiqul Umam , Ikuya Adachi , Tsutomu Yamanaka
In this study, the isotopic alteration of boron (B) and lithium (Li) in slab-derived fluids after they undergo dehydration processes is investigated using deep groundwater samples from the eastern Kii Peninsula of Japan. Isotopic and elemental analyses of hydrogen (H), oxygen (O), B, and Li reveal complex subsurface fluid mixing and geochemical interactions that exceed simple meteoric recharge. Three distinct groundwater groups were identified on the basis of δ2H–δ18O–Cl relationships: Group I has strong slab-derived water signatures, particularly along the Median Tectonic Line and near 34°50′N, with up to 60 % slab-derived contributions; Group II reflects mixing between meteoric water and ocean water; and Group III is predominantly meteoric. Spatial variations in δ11B and δ7Li isotopes suggest that local geochemical processes such as clay adsorption, silicate weathering, and igneous rock contributions significantly alter the original slab-derived isotopic signals. Rayleigh-type fractionation models explain the increased isotopic values in some wells, whereas low δ11B and δ7Li values elsewhere indicate localized sources. Notably, high Li values with low δ7Li values in the southwest indicate a Li supply from Miocene igneous intrusions beneath the Mesozoic accretionary complex. These findings highlight the need for an integrated multi-isotope approach to accurately trace fluid origins and reconstruct the geochemical pathways of slab-derived fluids in forearc groundwater systems.
在这项研究中,利用日本Kii半岛东部的深层地下水样本,研究了板状衍生流体脱水过程后硼(B)和锂(Li)的同位素变化。氢(H)、氧(O)、氢(B)和锂(Li)的同位素和元素分析揭示了复杂的地下流体混合和地球化学相互作用,超出了简单的大气补给。根据δ2H -δ18O-Cl关系,确定了3个不同的地下水类群:类群ⅰ具有强烈的板源水特征,特别是沿中构造线和34°50′n附近,板源水贡献高达60%;第二组反映了大气水和海水的混合;第三族主要是流星。δ11B和δ7Li同位素的空间变化表明,粘土吸附、硅酸盐风化和火成岩作用等局部地球化学过程显著改变了原始板源同位素信号。瑞利分馏模式解释了某些井中同位素值的增加,而其他井的低δ11B和δ7Li值表明了局部来源。值得注意的是,西南地区Li值高,δ7Li值低,表明中生代增生杂岩下中新世火成岩侵入岩提供了Li。这些发现强调了采用综合多同位素方法精确追踪流体来源和重建弧前地下水系统中板源流体的地球化学路径的必要性。
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引用次数: 0
Modes of occurrence of critical elements in coals from the Guanbanwusu mine, Inner Mongolia, China: A novel stratigraphy-constrained sliding-window correlation approach 内蒙古关班乌苏矿煤中关键元素赋存模式:一种新的地层约束滑动窗对比方法
IF 3.4 3区 地球科学 Q1 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2026-01-01 Epub Date: 2025-11-24 DOI: 10.1016/j.apgeochem.2025.106638
Wei Zhu , Wei Liu , Na Xu , Robert B. Finkelman
Critical metals such as rare earth elements and yttrium (REY), lithium, gallium, and germanium are essential to modern technologies, but face increasing supply uncertainties. Numerous studies have shown that coal is a promising alternative source for these critical metals. Understanding modes of occurrence of these elements is critical for efficient recovery from coal and its by-products. Traditional statistical analyses, performed on bulk mine datasets, overlook stratigraphic variability, limiting insight into elemental associations. To address this limitation, a sliding-window correlation analysis combined with stratigraphically-constrained Synthetic Minority Over-Sampling Technique was applied to investigate the modes of occurrence of critical elements in coal from the Guanbanwusu mine, Inner Mongolia, China, with specific consideration of vertical stratigraphy. The results reveal significant vertical heterogeneity in modes of occurrence of elements. Lithium exhibits strong correlations with kaolinite and chlorite across most coal benches but shows localized associations with inertinite in the lower part (benches G18-G12 and G8-G1). Gallium and germanium are primarily hosted in goyazite, with variable associations with boehmite, chlorite, and kaolinite. Rare earth elements and yttrium predominantly occur in goyazite, with affinity varying vertically: in upper benches, goyazite shows a stronger affinity for light REY, whereas in lower benches, it is enriched in both light REY and middle REY. In contrast, inertinite exhibits an opposite REY affinity compared to goyazite and chlorite. These trends demonstrate that the modes of occurrence of critical elements are not uniform throughout coal benches but are influenced by localized geochemical conditions and mineralogical variations.
稀土元素和钇(REY)、锂、镓和锗等关键金属对现代技术至关重要,但面临越来越多的供应不确定性。大量研究表明,煤炭是这些关键金属的一个有希望的替代来源。了解这些元素的赋存模式对于有效地从煤及其副产品中回收至关重要。传统的统计分析是在大量矿山数据集上进行的,忽略了地层的可变性,限制了对元素关联的了解。针对这一局限性,采用滑动窗口相关分析结合地层约束的合成少数派过采样技术,结合垂向地层学对内蒙古关坂乌苏矿煤中关键元素赋存模式进行了研究。结果揭示了元素出现方式的显著垂直异质性。在大多数煤台中,锂与高岭石和绿泥石表现出很强的相关性,但在下部(G18-G12和G8-G1台中)与惰性岩表现出局部相关性。镓和锗主要赋存于goyazite中,与薄水铝石、绿泥石和高岭石有不同的关联。稀土元素和钇主要赋存于goyazite中,其亲和性呈垂直变化,上台阶goyazite对轻REY的亲和性较强,下台阶goyazite对轻REY和中REY均富集。相比之下,惰质岩表现出相反的REY亲和性,与goyazite和绿泥石。这些趋势表明,关键元素的赋存方式在整个煤层中并不均匀,而是受局部地球化学条件和矿物学变化的影响。
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引用次数: 0
Unique migration-distribution processes and pollution risks of typical elements from geothermal spring discharge: A systematic assessment on Gudui geothermal field (southern Tibet)
IF 3.4 3区 地球科学 Q1 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2026-01-01 Epub Date: 2025-12-15 DOI: 10.1016/j.apgeochem.2025.106656
Xiuying Yang , Hongbing Tan , Zhiwei Shi , Hongkai Zhu , Kang Qiang , Hao Long
The Gudui geothermal field in southern Tibet, China's second-largest non-volcanic high-temperature geothermal system, exhibits vigorous hydrothermal activity, with widespread geothermal springs discharging harmful elements that threaten around environment. However, the enrichment and migration mechanisms of hazardous elements during geothermal spring discharge remain unclear, in particular, the unusual enriched and highly hazardous elements like Tl has not been drawn attention by previous researches. This study focuses on a high-temperature geothermal spring discharge area in Karugou watershed in Gudui and systematically track the distribution and partition law of As, Tl, and B in geothermal deposits, river water, sediments, and around farmland soils. Results indicate that concentrations of As, Tl, and B progressively increase along the river, with corresponding trends observed in sediments. Concentration of these elements exceed basic permission limits by 302.22, 1326.61 and 15.16 times, respectively. In farmland soils irrigated with river water, As and Tl levels at 40 cm depth exceed natural soil by 1.2 times, while surface B concentrations are over 4.2 times. Harmful elements from geothermal discharge exhibit systematic migration-distribution-partition patterns in geothermal deposits, river sediments, and soils, where elements first accumulate in geothermal deposits, with partial partitioning into travertine or sinter. With respect to As and B that enrich more in general travertine, Tl prefers to be enriched in sinter. Irrigation has distinctly introduced these elements into downstream farmland soils (0–40 cm). Such high enrichment poses significant potential environmental risks. Future geological events like tectonic activities, floods, or large-scale development could trigger massive release of these harmful elements from geothermal fluids or remobilization from river sediments, potentially endangering downstream populated areas. This study firstly highlights the uncommon natural hazardous elements like Tl enriched in geothermal spring and provides a reference for environmental impact assessments of geothermal exploitation in Tibet as well as worldwide.
然而,地热泉排放过程中有害元素的富集和迁移机制尚不清楚,特别是Tl等异常富集和高危险元素的研究尚未引起重视。本研究以孤堆卡鲁沟流域高温地热泉排放区为研究对象,系统追踪了地热矿床、河流水体、沉积物以及农田周围土壤中As、Tl、B的分布和分配规律。结果表明,As、Tl和B的浓度沿河流逐渐增加,沉积物中也有相应的趋势。这些元素的浓度分别超出了基本许可的302.22倍、1326.61倍和15.16倍。在河水灌溉的农田土壤中,40 cm深度的As和Tl含量是天然土壤的1.2倍,地表B浓度超过4.2倍。来自地热排放的有害元素在地热沉积物、河流沉积物和土壤中表现出系统的迁移-分布-分配模式,这些元素首先在地热沉积物中积累,部分分配成石灰华或烧结矿。相对于在一般石灰华中富集较多的As和B, Tl更倾向于在烧结矿中富集。灌溉明显地将这些元素引入下游农田土壤(0-40厘米)。如此高的富集会带来巨大的潜在环境风险。未来的地质事件,如构造活动、洪水或大规模开发,可能会引发地热流体中这些有害元素的大量释放或河流沉积物的再活化,潜在地危及下游人口稠密地区。
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引用次数: 0
Reactive pathways of synthetic forsterite and Mg/Ni-serpentine: Insights into incipient dissolution and carbonation 合成森林石和镁镍蛇纹石的反应途径:对早期溶解和碳酸化的认识
IF 3.4 3区 地球科学 Q1 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2026-01-01 Epub Date: 2025-12-08 DOI: 10.1016/j.apgeochem.2025.106650
Mattia Corti , Daniela D'Alessio , Mara Murri , Giancarlo Capitani , Marcello Campione , Nadia Malaspina
Carbon capture, utilisation and storage is among the key strategies to mitigate the increasing concentration of atmospheric carbon dioxide. Mineral carbonation stands out as a promising solution for long-term carbon sequestration by exploiting Ca–Mg-bearing oxides, hydroxides, and silicate minerals such as olivine and serpentine. Although the reaction occurs spontaneously in nature, it is strongly hindered by mineralogical and structural factors.
In this study, nanocrystalline pure forsterite and Mg- and Ni-endmember serpentines were synthesised as model phases to disentangle the role of composition, crystal structure, and morphology in incipient dissolution and carbonation and to maximise reactivity through increased surface-to-volume ratios. The choice of Ni-serpentine endmember aims to investigate the fate of Ni after dissolution and carbonation, considering that in nature serpentine can incorporate up to 0.5 wt% of nickel oxide. A systematic experimental strategy was designed to investigate their early-stage dissolution and carbonation behaviour under mild hydrothermal conditions (100 °C, pCO2 ≤ 6 bar), using microwave-assisted treatments in a controlled environment. The products were thoroughly characterised, both as solid precipitates and aqueous components, through X-ray Powder Diffraction, Scanning Electron Microscopy, Transmission Electron Microscopy, micro-Raman and Inductively Coupled Plasma – Optical Emission Spectroscopy. This direct, parallel comparison reveals distinct behaviours among the tested materials, with forsterite and Mg-serpentine releasing Mg into solution and promoting the formation of hydrated Mg-carbonates, whereas Ni-serpentine nanocrystals remain largely inert, immobilising Ni within their structure. These findings have potential implications not only for carbon dioxide sequestration but also for critical metal recovery processes.
碳捕获、利用和封存是减缓大气中二氧化碳浓度增加的关键战略之一。矿物碳酸化是一种很有前途的长期固碳解决方案,通过开采含钙镁氧化物、氢氧化物和硅酸盐矿物,如橄榄石和蛇纹石。虽然该反应在自然界中自发发生,但受到矿物学和构造因素的强烈阻碍。在这项研究中,纳米晶纯森林石和镁镍端元蛇纹石被合成为模型相,以理清组成、晶体结构和形态在早期溶解和碳化中的作用,并通过增加表面体积比来最大化反应性。选择Ni-蛇纹石端元的目的是研究Ni在溶解和碳化后的命运,考虑到在自然界蛇纹石中可以含有高达0.5 wt%的氧化镍。设计了一个系统的实验策略,研究了它们在温和水热条件下(100°C, pCO2≤6 bar)的早期溶解和碳化行为,在受控环境中使用微波辅助处理。通过x射线粉末衍射、扫描电子显微镜、透射电子显微镜、微拉曼和电感耦合等离子体-光学发射光谱对产物进行了固体沉淀和水相组分的全面表征。这种直接的、平行的比较揭示了测试材料之间的不同行为,前者和Mg-蛇纹石将Mg释放到溶液中,促进水合Mg-碳酸盐的形成,而Ni-蛇纹石纳米晶体在很大程度上保持惰性,将Ni固定在其结构中。这些发现不仅对二氧化碳的封存,而且对关键的金属回收过程都有潜在的影响。
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引用次数: 0
Effects of electrode geometry on electrokinetic removal of heavy metals and salt ions from co-contaminated soils 电极几何形状对共污染土壤中重金属和盐离子电动去除的影响
IF 3.4 3区 地球科学 Q1 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2026-01-01 Epub Date: 2025-12-16 DOI: 10.1016/j.apgeochem.2025.106655
Öznur Karaca , Sonam Taneja , Çetin Kantar , Anil Kumar Haritash
This study evaluated the performance of electrokinetic remediation on multi-metal-contaminated soil based on three electrode configurations: linear (1 anode–2 cathodes), trigonal (1 anode–2 cathodes), and square (1 anode–4 cathodes). The effects of co-contaminants and inter-ionic interferences on metal migration and removal were critically assessed. The findings revealed that the square configuration exhibited better removal efficiencies due to its improved electric field distribution and higher cathode coverage. With the same number of electrodes, the linear arrangement exhibited slightly better removal than the trigonal design, suggesting that spatial arrangement is a key factor in EK performance. The maximum removal was achieved for hexavalent chromium (Cr (VI)), followed by cadmium and lead, mainly because of the high complexation affinity of Cr (VI) for EDTA. Speciation analysis by Visual MINTEQ showed evidence of stable Cr–EDTA complexes being formed, allowing their mobilization. Introduction of EDTA not only enhanced the transport and solubility of target metals but also favoured the migration of natural cations (Na+, K+, Mg2+, Ca2+). In addition, harmful anions, SO42− and Cl were reduced by 90 % and 80 %, respectively. The economic analysis confirmed the square configuration as the most cost-effective, with specific energy consumption (50 kWh/m3/g) and specific cost (701.5 US$/g). The study highlights the critical role of electrode arrangement in optimizing EKR processes and the mobilization and removal of heavy metals from polluted soils.
本研究基于三种电极配置:线性(1个阳极- 2个阴极)、三角形(1个阳极- 2个阴极)和正方形(1个阳极- 4个阴极)评估了电动修复多金属污染土壤的性能。对共污染物和离子间干扰对金属迁移和去除的影响进行了严格评估。结果表明,方形结构由于其改善的电场分布和更高的阴极覆盖率而表现出更好的去除效率。在电极数量相同的情况下,线性排列的去除效果略好于三角排列,这表明空间排列是影响EK性能的关键因素。对六价铬(Cr (VI))的去除率最高,其次是镉和铅,这主要是因为Cr (VI)对EDTA具有较高的络合亲和力。通过visualminteq进行的物种形成分析显示,形成了稳定的Cr-EDTA复合物,允许其动员。EDTA的引入不仅增强了靶金属的运输和溶解度,而且有利于天然阳离子(Na+、K+、Mg2+、Ca2+)的迁移。有害阴离子SO42 -和Cl -分别减少90%和80%。经济分析证实方形配置是最具成本效益的,比能耗(50 kWh/m3/g)和比成本(701.5美元/g)。该研究强调了电极排列在优化EKR过程和从污染土壤中动员和去除重金属方面的关键作用。
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引用次数: 0
Tracing chemical and biological O2 consumption in the subsurface by 18O isotope enrichment factors 18O同位素富集因子示踪地下化学和生物耗氧量
IF 3.4 3区 地球科学 Q1 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2026-01-01 Epub Date: 2025-12-03 DOI: 10.1016/j.apgeochem.2025.106647
Zhenchen Wan , Yuxuan Tan , Yunsong Zheng , Xiuli Li , Songhu Yuan
Dissolved O2 (DO) levels in the shallow subsurface, controlled by both chemical and biological processes, play an important role in contaminant transformation and attenuation. However, methods for tracing chemical and biological DO consumption are not available. Here we show that oxygen isotope enrichment factors (ε) can be used to trace the mechanisms of chemical and biological O2 consumption in the shallow subsurface. In batch solution experiments, the ε values for O2 consumption by dissolved Fe(II), dissolved organic carbon (DOC), and their mixtures at different C/Fe ratios (0.5∼20) were measured to range from -1.74 ‰ to -3.32 ‰. In the oxygenation of reduced clayed sediment suspension, the ε values were relatively small (-6.46 ‰) in the initial 15 h and increased to a large level (-18.14 ‰) afterward; while for the sand sediment suspension, the ε values were always small (ranging from -4.56 ‰ to -4.65 ‰) throughout the duration time of 24 h. Chemical probe and sterilized control experiments proved that the initial stage characterized with small ε values (<-10 ‰) was dominated by chemical O2 consumption and the subsequent stage with large ε values (>-10 ‰) was dominated by biological O2 consumption. As an effective indicator for distinguishing subsurface chemical and biological oxygen consumption pathways, ε will provide a new parameter for exploring carbon and nitrogen cycling and pollution transformation.
浅层地下溶解氧(DO)水平受化学和生物过程的双重控制,在污染物转化和衰减中起着重要作用。然而,目前还没有追踪化学和生物溶解氧消耗的方法。本研究表明,氧同位素富集因子(ε)可用于追踪浅层地下化学和生物耗氧机制。在间歇溶液实验中,测定了不同C/Fe比(0.5 ~ 20)下溶解铁(II)、溶解有机碳(DOC)及其混合物耗氧的ε值,其范围为-1.74‰~ -3.32‰。还原后的泥质悬浮液中,15 h内ε值相对较小(-6.46‰),15 h后ε值逐渐增大(-18.14‰);而沙质悬浮液的ε值在24 h内始终较小(-4.56‰~ -4.65‰)。化学探针和灭菌对照实验证明,ε值较小(<-10‰)的初始阶段以化学耗氧为主,ε值较大(>-10‰)的后续阶段以生物耗氧为主。ε作为识别地下化学和生物耗氧途径的有效指标,将为探索碳氮循环和污染转化提供新的参数。
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引用次数: 0
Regional geochemical prospecting for Li–Be rare earth deposits: A case study in Southern Xinjiang, China 区域Li-Be稀土矿床地球化学找矿——以南疆地区为例
IF 3.4 3区 地球科学 Q1 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2026-01-01 Epub Date: 2025-12-10 DOI: 10.1016/j.apgeochem.2025.106651
Jingjing Gong , Lujun Lin , Jianweng Gao , Yingjie Gao , Hui Wu , Yong Li , Jianzhou Yang , Zhuang Duan , Zuohuai Yang , Shixin Tang
The exploration of critical minerals, such as lithium (Li) and beryllium (Be), plays a vital role in supporting various high-tech industries. The southern margin of Xinjiang, China, which extends from the Western Kunlun to the Altun Mountains, has revealed promising Li–Be rare metal deposits—including the Dahongliutan and Washixianan occurrences—suggesting considerable potential for further discoveries. Regional-scale geochemical surveys (ranging from 1:200,000 to 1:500,000) have provided extensive coverage of this area, yielding abundant geochemical data. While these datasets were originally collected decades ago, their full potential for identifying rare metal deposits via modern compositional data analysis (CoDA) methods has not been fully realized. In this study, we reuse these existing regional geochemical data and apply the isometric log-ratio robust principal component analysis (ilr-RPCA) method to develop a novel composite indicator for effectively delineating pegmatite-type Li–Be deposits. The results indicated that although conventional geochemical anomalies of Li and Be correlate well with known deposits, the intensity and spatial distribution of mineralization-related anomalies vary significantly, potentially leading to the omission of certain mineralized anomalies. Through ilr-RPCA, two distinct element associations were identified: (1) Li, Be, and B, which are closely linked to pegmatite-type Li–Be mineralization, and (2) La, Y, Zr, and Nb, representative of the geochemical background associated with acidic rock formations. Anomaly maps derived from the ratio between these two groups accurately pinpoint the locations of pegmatite-type Li–Be deposits, demonstrating the effectiveness of the CoDA approach in geochemical prospectivity mapping. Based on this approach, four prospective areas for rare metal mineralization have been delineated. This methodology offers practical guidance for mineral exploration companies and government agencies in their decision-making processes.
锂(Li)和铍(Be)等关键矿物的勘探,对支持各种高科技产业起着至关重要的作用。中国新疆南缘,从西昆仑延伸到阿尔金山山脉,已经发现了有前途的锂be稀有金属矿床,包括大红柳滩和瓦石县的发现,这表明进一步发现的潜力很大。区域尺度的地球化学测量(1:20万~ 1:50万)为该区提供了广泛的覆盖范围,获得了丰富的地球化学数据。虽然这些数据集最初是在几十年前收集的,但它们通过现代成分数据分析(CoDA)方法识别稀有金属矿床的全部潜力尚未完全实现。在这项研究中,我们重新利用这些现有的区域地球化学数据,并应用等距对数比稳健主成分分析(ilr-RPCA)方法,开发了一种新的复合指标,用于有效圈定辉晶岩型Li-Be矿床。结果表明,虽然常规Li、Be地球化学异常与已知矿床相关性较好,但矿化异常强度和空间分布差异较大,可能导致某些矿化异常被遗漏。通过ir - rpca鉴定出两种不同的元素组合:(1)Li、Be和B,它们与辉晶岩型Li - Be矿化密切相关;(2)La、Y、Zr和Nb,它们代表了与酸性地层相关的地球化学背景。根据这两组比值得到的异常图精确定位了伟晶岩型锂铍矿床的位置,证明了CoDA方法在地球化学远景填图中的有效性。在此基础上,圈定了4个稀有金属成矿远景区。这种方法为矿产勘探公司和政府机构的决策过程提供了实际指导。
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引用次数: 0
THEREDA: Thermodynamic reference database for geochemical modelling of nuclear waste disposal under saline conditions – Application, overview, and new developments 盐碱化条件下核废料处理地球化学模拟的热力学参考数据库——应用、综述和新发展
IF 3.4 3区 地球科学 Q1 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2026-01-01 Epub Date: 2025-11-29 DOI: 10.1016/j.apgeochem.2025.106646
Helge C. Moog , Marcus Altmaier , Frank Bok , Vinzenz Brendler , Daniela Freyer , Xavier Gaona , Sven Hagemann , Claudia Joseph , George-Dan Miron , Melanie Pannach , Julia Sohr , Wolfgang Voigt , Marie Voss , Laurin Wissmeier
The Thermodynamic Reference Database (THEREDA) is designed for geochemical calculations in the context of repositories for radioactive waste under high-saline conditions. For this purpose, it adopts the Pitzer ion-interaction approach. THEREDA is currently the only database worldwide that allows comprehensive polythermal calculations (up to at least 100 °C) of the hexary system of the oceanic salts Na-K-Mg-Ca-Cl-SO4-H2O, including acids, bases, and CO2/carbonates. Its validity is documented primarily, yet not exclusively, by application to solubility data. THEREDA's potential to predict the development of the geochemical environment, e.g. in the event of an intrusion of solution, constitutes a prerequisite for the engineering design of a nuclear waste repository with regard to the selection and placement of plug and sealing system components.
The focus of THEREDA lies on the calculation of solubilities of radionuclides (actinides, fission and activation products), chemotoxic and matrix elements e.g., canister materials, and compounds having an impact on the overall geochemical milieu in the near field of a repository under high-saline conditions.
Special features of THEREDA besides its focus on high-saline solutions are procedures for testing prior to any release combined with intercode-comparison, extensive and publicly available validation against published experimental data, and systematic application of a scheme to mark data with regard to quality, reliability, and origin. Traceability of data and validated experimental results to published sources is also emphasised. This documentation is in part realised in ready-to-use parameter files for users, and in part on the website (www.thereda.de). Another feature is the possibility for operation of THEREDA by several institutions in a net-worked manner.
To highlight THEREDA's potential, examples for applications of the database are given. Additionally, ongoing efforts for the further development of THEREDA are described in the outlook at the end of this article.
热力学参考数据库(THEREDA)是为高盐条件下放射性废物储存库的地球化学计算而设计的。为此,本文采用了Pitzer离子相互作用方法。THEREDA是目前世界上唯一的数据库,允许全面的多热计算(高达至少100°C)的六元体系的海盐Na-K-Mg-Ca-Cl-SO4-H2O,包括酸,碱,和CO2/碳酸盐。它的有效性主要是通过应用于溶解度数据来证明的,但不是唯一的。THEREDA有可能预测地球化学环境的发展,例如在溶液侵入的情况下,这是核废料处置库工程设计的先决条件,涉及插头和密封系统组件的选择和放置。THEREDA的重点在于计算放射性核素(锕系元素、裂变和活化产物)、化学毒性和基质元素(如罐材料)以及在高盐条件下对储存库近场总体地球化学环境有影响的化合物的溶解度。THEREDA除了专注于高盐溶液外,其特殊之处在于任何发布前的测试程序,结合代码间比较,针对已发表的实验数据进行广泛和公开的验证,以及系统地应用一种方案来标记数据的质量,可靠性和来源。数据的可追溯性和验证的实验结果发表的来源也强调。本文档部分在用户的现成参数文件中实现,部分在网站(www.thereda.de)上实现。另一个特点是有可能由若干机构以网络方式运作THEREDA。为了突出THEREDA的潜力,给出了该数据库的应用实例。此外,本文最后的展望部分描述了THEREDA进一步发展的持续努力。
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引用次数: 0
Hydrogeochemical mechanisms of ore-bearing layer clogging during acid ISL of uranium 铀酸溶出过程中含矿层堵塞的水文地球化学机制
IF 3.4 3区 地球科学 Q1 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2026-01-01 Epub Date: 2025-10-31 DOI: 10.1016/j.apgeochem.2025.106594
Xuefeng Liu , Jinhui Liu , Yongguo Xing , Yihan Yang , Ruyi Wang
This study examined the hydrogeochemical mechanisms of permeability reduction during acid in situ leaching (ISL) in the C12 mining area of the Bayan Ula uranium deposit. It analyzed the spatiotemporal evolution of leaching solution chemistry and conducted hydrogeochemical modeling. The key processes influencing permeability were identified. SO42− concentration decreased significantly over time. Ca2+ concentration initially increased and then declined. This change resulted from the enhanced dissolution of calcium-bearing minerals and subsequent gypsum precipitation. Spatially, Ca2+ showed an increasing and then decreasing trend along the flow path. This pattern corresponded to intensified mineral reactions. SO42− progressively decreased along the pathway, with the main acid consumption zone located downstream. PHREEQC simulations indicated that Ca2+ mainly existed as free Ca2+ and CaSO4 complexes. Gypsum formation occurred when Ca2+ exceeded the precipitation threshold (Ca2+b, CaSO4). The saturation index (SICaSO4) and reaction condition index (RCICa2+) showed that the tendency for gypsum precipitation weakened over time but increased downstream. This change was driven by pH-induced variations in SO42− activity. These findings aligned with observed leaching solution chemistry. They confirmed that gypsum precipitation, especially in downstream regions, played a critical role in reducing ISL permeability.
研究了巴彦乌拉铀矿床C12矿区酸浸过程中渗透率降低的水文地球化学机理。分析了浸出液化学的时空演化规律,并进行了水文地球化学模拟。确定了影响渗透率的关键过程。SO42−浓度随时间显著降低。Ca2+浓度先升高后下降。这种变化是由于含钙矿物的溶解增强和随后的石膏沉淀造成的。在空间上,Ca2+沿流道呈先升高后降低的趋势。这种模式与矿物反应加剧相对应。SO42−沿路径逐渐减少,主要的酸消耗区位于下游。PHREEQC模拟表明,Ca2+主要以游离Ca2+和CaSO4复合物的形式存在。当Ca2+超过沉淀阈值(Ca2+b, CaSO4)时,石膏形成。饱和指数(SICaSO4)和反应条件指数(RCICa2+)表明,随着时间的推移,石膏沉淀的趋势减弱,但下游的趋势增加。这种变化是由ph诱导的SO42−活性变化驱动的。这些发现与观察到的浸出溶液化学一致。他们证实,石膏沉淀,特别是在下游地区,在降低ISL渗透率方面发挥了关键作用。
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引用次数: 0
Geochemical characterization and potential impact of coal mine drainage on river water quality at selected coal mines in the Livingstonia Coalfield, Malawi 马拉维Livingstonia煤田选定煤矿的地球化学特征及其对河流水质的潜在影响
IF 3.4 3区 地球科学 Q1 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2026-01-01 Epub Date: 2025-11-20 DOI: 10.1016/j.apgeochem.2025.106636
Amidu A. Makwinja , Frances Chikanda , George J. Maneya , Ryosuke Kikuchi , Walubita Mufalo , Akizumi Ishida , Tsubasa Otake
Coal mining can have significant environmental impacts caused by acid mine drainage (AMD). To further our understanding of the environmental impacts of coal mining, a study was conducted in the Livingstonia Coalfield at the Kaziwiziwi and Mchenga coal mines in Malawi. Mine drainage, river water, and rock samples were analyzed to determine their geochemical characteristics and assess potential environmental impacts. Results of onsite measurements and chemical analyses showed that mine drainage at both sites is moderately acidic to neutral (pH = 4.46–7.02) with Fe2+ and SO42− concentrations of 0.30–3.75 and 92.7–593 ppm, respectively. The presence of Fe and SO4 ions is indicative of FeS2 oxidation, which is responsible for AMD. At Kaziwiziwi, AMD was identified at the tailings pond, whereas at Mchenga it occurs in an abandoned underground mine. The underground drainage from the Kaziwiziwi active mine has high concentrations of Ca2+, Mg2+, and HCO3, indicating the natural neutralization of AMD by mixing with alkaline groundwater. River water has a circumneutral pH and low trace element concentrations (<1 ppm), suggesting minimal AMD. However, the rock samples, particularly mudstone, have acid-generating potential and are a long-term AMD risk. Stable S isotopic analysis indicates that sulfate ions in the AMD are derived from the mudstone, suggesting this rock type is a major source of AMD. Geochemical mixing modeling predicts that fluctuations in river water pH and increased concentrations of dissolved metals (e.g., Mn) will occur when mixed with AMD, thereby highlighting the need for monitoring and mitigation strategies.
煤矿开采中酸性矿井水对环境的影响很大。为了进一步了解煤炭开采对环境的影响,我们在马拉维的Kaziwiziwi和Mchenga煤矿的Livingstonia煤田进行了一项研究。对矿井水、河水和岩石样品进行了分析,确定了它们的地球化学特征,并评估了潜在的环境影响。现场测量和化学分析结果表明,两个矿区的矿井水均为中酸性至中性(pH = 4.46 ~ 7.02), Fe2+和SO42−浓度分别为0.30 ~ 3.75 ppm和92.7 ~ 593 ppm。Fe和SO4离子的存在表明FeS2氧化,这是AMD的原因。在Kaziwiziwi, AMD是在尾矿库发现的,而在Mchenga,它发生在一个废弃的地下矿山。Kaziwiziwi活矿地下排水中Ca2+、Mg2+和HCO3−浓度较高,表明AMD与碱性地下水混合自然中和。河水的pH值为环中性,微量元素浓度很低(1 ppm),表明AMD很轻微。然而,岩石样本,特别是泥岩,具有产酸潜力,长期存在AMD风险。稳定S同位素分析表明,AMD中的硫酸盐离子来源于泥岩,表明该岩型是AMD的主要来源。地球化学混合模型预测,当与AMD混合时,河水pH值会出现波动,溶解金属(如锰)的浓度会增加,因此强调需要监测和缓解战略。
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Applied Geochemistry
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