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Monazite chemistry for iron sulfide-copper-gold exploration in the Mount Isa Province, Queensland, Australia 澳大利亚昆士兰州伊萨山省硫化铁-铜-金勘查的独居石化学
IF 3.4 3区 地球科学 Q1 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2026-01-14 DOI: 10.1016/j.apgeochem.2025.106674
Travis Batch , Caroline Tiddy , Adrienne Brotodewo , David Giles , Courteney Dhnaram , Vladimir Lisitsin
The chemistry of hydrothermal monazite can be used as an indicator of iron sulfide-copper-gold (ISCG) mineralisation based on a case study of the Kulthor deposit in the Cloncurry District. Monazite associated with mineralisation has elevated La, Nd and S, and a moderately negative chondrite-normalised Eu anomaly, and is typically polycrystalline and intimately associated with pyrite, pyrrhotite and chalcopyrite. Monazite from mineralised and unmineralised rocks can be separated on a plot of Ce versus La + Nd using a line with the equation y = 0.95x. Monazite that is found within unmineralised rocks is enriched in Y, Dy, Th and U relative to mineralised samples and have a strong negative chondrite-normalised Eu anomaly. A plot of Y versus Dy shows two distinct gradients for the monazite analyses, whereby monazite analyses in unmineralised rocks follow the gradient of 0.24 (r2 = 0.946), in contrast to mineralisation-associated and proximal monazite analyses which follow a gradient of 0.47 (r2 = 0.889). Monazite grains from unmineralised rocks have well defined, jagged grain boundaries and commonly contain inclusions of zircon, apatite, rutile and xenotime. Integration of monazite data from Kulthor with a previous study on the nearby Jericho ISCG deposit allowed development of geochemical discrimination diagrams for ISCG deposits whereby Ca/Th ratios >5 and S/Th ratios >0.1 are indicative of monazite associated with ISCG mineralisation.
以Cloncurry地区Kulthor矿床为例,热液独居石的化学性质可作为硫化铁-铜-金(ISCG)成矿的指示物。与矿化有关的独居石具有较高的La, Nd和S,以及中度负球粒正化的Eu异常,并且通常是多晶的,与黄铁矿,磁黄铁矿和黄铜矿密切相关。矿化和未矿化岩石中的独居石可以用方程为y = 0.95x的直线在Ce与La + Nd的图上分离。在未矿化岩石中发现的独居石相对于矿化样品富含Y、Dy、Th和U,具有强烈的负球粒正化Eu异常。Y与Dy的图显示了独居石分析的两个不同梯度,其中,未矿化岩石中的独居石分析遵循0.24 (r2 = 0.946)的梯度,而与矿化相关的和近独居石分析遵循0.47 (r2 = 0.889)的梯度。来自未矿化岩石的独居石颗粒具有清晰的锯齿状晶界,通常含有锆石、磷灰石、金红石和xenotime包裹体。将Kulthor的独居石数据与之前对附近Jericho ISCG矿床的研究相结合,开发了ISCG矿床的地球化学辨别图,其中Ca/Th比值>;5和S/Th比值>;0.1指示与ISCG矿化有关的独居石。
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引用次数: 0
Age-dependent cementitious leachate effects on metal and radionuclide sorption to sediments from a subsurface waste-disposal site 年龄依赖性胶凝渗滤液对地下废物处理场沉积物中金属和放射性核素吸附的影响
IF 3.4 3区 地球科学 Q1 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2026-01-14 DOI: 10.1016/j.apgeochem.2026.106701
Peng Lin , Karah Greene , Wei Xing , Steven Simner , Christina Logan , Richard Henry , Daniel I. Kaplan
<div><div>Risk assessment to evaluate long-term disposal for heavy metal and radioactive constituents at the subsurface engineered disposal facilities rely on distribution coefficients (<em>K</em><sub><em>d</em></sub> <em>=</em> <em>C</em><sub><em>solid</em></sub><em>/C</em><sub><em>liquid</em></sub>). Low-level solid and liquid radioactive waste is disposed in the subsurface environment using various cementitious engineered barriers. This study measured <em>K</em><sub><em>d</em></sub> values to quantify the sorption–including adsorption, absorption, and/or precipitation for multiple metals/radionuclides in subsurface sediments impacted by cementitious leachates representing different cement aging stages, experimentally introduced as Cs(I), Sr(II), Ni(II), Eu(III), Th(IV), U(VI), Cr(VI), and Tc(VII), serving as chemical analogs of different chemical groups. Simulated groundwater (Stage IV) was used as a baseline besides three leachate simulants: freshly made concrete leachate (Stage I), portlandite (Stage II), and calcite (Stage III) to calculate the cementitious leachate impact factor (<em>f</em><sub>CementLeach</sub>), defined as <em>K</em><sub><em>d</em></sub>-CementLeach/<em>K</em><sub><em>d</em></sub>-groundwater. Results showed significant changes in sorption between groundwater and leachate simulants. Monovalent cation analog Cs exhibited <em>K</em><sub><em>d</em></sub> values of 28–2390 L/kg (sandy) and 84–4230 L/kg (clayey), with <em>f</em><sub>CementLeach</sub> up to 62 in sandy sediments impacted by young grout leachate. Divalent cations (Ni and Sr) and trivalent/tetravalent cations (Eu, Th) also showed strong enhancements in high-pH cementitious leachate environments; for example, Eu <em>K</em><sub><em>d</em></sub> increased from 25 L/kg in Stage IV groundwater to >67000 L/kg in leachates. Tetravalent cation analog Th showed very strong sorption (>10000 L/kg) in young and aged leachates, consistent with prior trivalent cation trends (Eu). Enhanced retention of multivalent cations (e.g., Ni<sup>2+</sup>, Eu<sup>3+</sup>, Th<sup>4+</sup>, and UO<sub>2</sub><sup>2+</sup>) in cementitious leachate-impacted sediments reflects not only surface sorption processes but also precipitation under elevated pH conditions, particularly in young grout leachate environments. Such precipitation-driven mechanisms were not evident for Cs<sup>+</sup>. Across cement aging stages, enhanced (Stage III) and/or reduced sorption (Stage II) can be observed for anionic species CrO<sub>4</sub><sup>2−</sup>, while <sup>99</sup>TcO<sub>4</sub><sup>−</sup>, a key risk driver, displayed minimal sorption and negligible response to cementitious leachates. These results represent the first extensive dataset quantifying cementitious leachate effects on sorption to sediments for different types of cation and anion metal contaminants. It also underscores how the evolution of cementitious barriers reshapes groundwater chemistry, directly influencing the predicted mobil
评估地下工程处置设施中重金属和放射性成分长期处置的风险评估依赖于分布系数(Kd = Csolid/ cliquids)。低水平固体和液体放射性废物在地下环境中使用各种胶凝工程屏障进行处理。本研究测量了Kd值,以量化受水泥渗滤液影响的地下沉积物中多种金属/放射性核素的吸附,包括吸附、吸收和/或沉淀,这些金属/放射性核素代表了不同的水泥老化阶段,实验中引入了Cs(I)、Sr(II)、Ni(II)、Eu(III)、Th(IV)、U(VI)、Cr(VI)和Tc(VII),作为不同化学基的化学类似物。除了三种渗滤液模拟物:现浇混凝土渗滤液(阶段I)、波特兰土(阶段II)和方解石(阶段III)外,还使用模拟地下水(阶段IV)作为基线,计算胶凝渗滤液影响因子(fCementLeach),定义为Kd-CementLeach/Kd-groundwater。结果表明,地下水和渗滤液模拟物的吸附变化显著。一价阳离子类似物Cs的Kd值分别为28-2390 L/kg(砂质)和84-4230 L/kg(粘土),在受幼浆渗滤液影响的砂质沉积物中,fCementLeach高达62。二价阳离子(Ni和Sr)和三价/四价阳离子(Eu、Th)在高ph胶凝渗滤液环境中也表现出较强的增强;例如,Eu Kd从IV期地下水的25 L/kg增加到渗滤液的67000 L/kg。四价阳离子类似物Th在年轻和老年渗滤液中表现出很强的吸附(>10000 L/kg),与先前的三价阳离子趋势(Eu)一致。多价阳离子(如Ni2+、Eu3+、Th4+和UO22+)在胶凝渗滤液影响下的保留增强,不仅反映了表面吸附过程,也反映了pH升高条件下的沉淀,特别是在年轻的灌浆渗滤液环境中。这种降水驱动机制在Cs+中并不明显。在水泥老化阶段,阴离子物种CrO42−的吸附增强(III阶段)和/或减少(II阶段),而99TcO4−是一个关键的风险驱动因素,对胶凝渗出液的吸附最小,反应可以忽略不计。这些结果代表了第一个广泛的数据集,量化胶结渗滤液对沉积物中不同类型的阳离子和阴离子金属污染物的吸附作用。它还强调了胶凝屏障的演变如何重塑地下水化学,直接影响风险评估中重金属和放射性核素的预测流动性。
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引用次数: 0
Endolithic environments in hydrothermally altered volcanic rocks from a coastal spring in Baja California, México: Mineralogical interfaces and the search for preserved biosignatures 下加利福尼亚海岸温泉中热液蚀变火山岩的内石器环境:矿物学界面和对保存的生物特征的寻找
IF 3.4 3区 地球科学 Q1 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2026-01-14 DOI: 10.1016/j.apgeochem.2026.106700
Enrique Iñiguez , Vladimir Mendoza-Lavaniegos , Thomas G. Kretzschmar
Coastal hydrothermal systems provide valuable analog environments for investigating microbial‒mineral interactions and preserving biosignatures under extreme physicochemical gradients. At the Puertecitos intertidal spring in Baja California, México, we conducted an integrated mineralogical, geochemical, and structural analysis of a hydrothermally altered ignimbrite to characterize endolithic microbial habitats and their fossilization potential. Thin section petrography, SEM, XRD, FTIR, and μXRF revealed a vertically zoned substrate, including an unaltered ignimbrite, a weathered alteration fringe, a dark sulfide-rich transition, and a crystalline barite–quartz assemblage. Elemental mapping (Fe, S, Ba, Sr, and As) and principal component analysis highlighted distinct geochemical domains shaped by episodic hydrothermal fluid pulses and seawater mixing. Microtomography (μCT) revealed very low total and open porosities (0.29 % and 0.017 %, respectively) but unexpectedly high permeabilities attributed to interconnected microfractures. SEM imaging revealed abundant and morphologically diverse microbial biosignatures, which were predominantly preserved in the crystalline and transition zones through rapid silicification and barite precipitation. These microenvironments, which are structured by mineral precipitation and permeability anisotropy, provide localized redox gradients and nutrient sources that support the preservation of chemolithotrophic endolithic communities. Our results demonstrate that hydrothermal fluid dynamics, mineral precipitation, and rock microstructure govern the habitability and fossilization potential of volcanic substrates in geothermal settings (temperature ranges from 32.7 to 73.7 °C and pH 6.7–8.1). The Puertecitos system offers a compelling terrestrial analog for studying microbial survival, mineral-driven weathering, and biosignature preservation on early Earth and Mars, emphasizing the importance of mineralogical interfaces and hydrothermal processes in structuring habitable niches in extreme environments.
沿海热液系统为研究微生物-矿物相互作用和保存极端物理化学梯度下的生物特征提供了有价值的模拟环境。在m西科州下加利福尼亚州的Puertecitos潮间泉,我们对一种热液蚀变的烟灰岩进行了综合矿物学、地球化学和结构分析,以表征内石器时代微生物栖息地及其石化潜力。薄片岩相、SEM、XRD、FTIR和μXRF显示了一个垂直分带的基底,包括未蚀变的褐煤、风化蚀变条纹、深色富硫化物过渡和结晶重晶石-石英组合。元素填图(Fe, S, Ba, Sr和As)和主成分分析突出了由幕式热液脉冲和海水混合形成的独特地球化学域。微断层扫描(μCT)显示,总孔隙度和开放孔隙度非常低(分别为0.29%和0.017%),但由于相互连接的微裂缝,渗透率出乎意料地高。扫描电镜(SEM)成像显示微生物特征丰富且形态多样,主要保存在结晶区和过渡区,主要通过快速硅化和重晶石沉淀形成。这些由矿物沉淀和渗透率各向异性构成的微环境提供了局部氧化还原梯度和营养来源,支持了趋化岩石营养内生石器群落的保存。研究结果表明,热液流体动力学、矿物沉淀和岩石微观结构决定了地热环境(温度范围为32.7 ~ 73.7℃,pH值为6.7 ~ 8.1)下火山基底的可居住性和石化潜力。Puertecitos系统为研究早期地球和火星上的微生物生存、矿物驱动的风化和生物特征保存提供了令人注目的陆地模拟,强调了矿物界面和热液过程在极端环境中构建宜居生态位的重要性。
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引用次数: 0
Predicting differentiated achondrite parent bodies through machine learning: Insights from major element 通过机器学习预测无球粒陨石的分化母体:来自主要元素的见解
IF 3.4 3区 地球科学 Q1 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2026-01-14 DOI: 10.1016/j.apgeochem.2026.106687
Zhao Yan , Jin-Ting Kang , Weibiao Hsu , Fang Huang
Rapid and accurate identification for parent bodies of achondrites is crucial for planetary science research. In this study, we examined the performance of machine learning algorithms using bulk rock major element compositions to classify the origins of achondrites derived from the Moon, Mars, and asteroid 4 Vesta. Literature data on lunar basalts and anorthosites, Martian meteorites, and HED meteorites potentially originating from Vesta, are compiled and cleaned. Multiple machine-learning models were applied including a Tabular Prior-data Fitted Network (TabPFN) and six classical models including Decision Tree, Gradient Boosting, Support Vector Machine, Random Forest, K-Nearest Neighbors, and Multilayer Perceptron. All models demonstrate robust classification performances achieving over 95 % accuracy for the Test Set. Particularly, the K-Nearest Neighbors and TabPFN models achieve an accuracy exceeding 99 %. This study presents a new, automated method in identifying the parent body of achondrites through bulk rock major element data. While these models perform well, further analysis of feature importance is needed to provide deeper insights into the underlying geochemical controls, ensuring the method complements traditional approaches such as petrography and isotope analysis. To facilitate the broader use by meteorite collectors, cosmochemistry community and enthusiasts, a web interface has been developed to quickly apply this technique: https://geo-cosmo-chemistry.shinyapps.io/meteorites_classification/.
快速准确地鉴定无球粒陨石的母体对行星科学研究至关重要。在这项研究中,我们检查了机器学习算法的性能,使用大块岩石主要元素组成来分类来自月球、火星和灶神星小行星的无球粒陨石的来源。整理整理了月球玄武岩和斜长岩、火星陨石和可能来自灶神星的HED陨石的文献资料。应用了包括TabPFN在内的多种机器学习模型和决策树、梯度增强、支持向量机、随机森林、k近邻和多层感知机等六种经典模型。所有模型都展示了鲁棒的分类性能,测试集的准确率超过95%。特别是k近邻模型和TabPFN模型的准确率超过99%。本文提出了一种利用大块岩石主元素数据自动识别无球粒陨石母体的新方法。虽然这些模型表现良好,但需要进一步分析特征的重要性,以更深入地了解潜在的地球化学控制,确保该方法与岩石学和同位素分析等传统方法相辅相成。为了方便陨石收藏家、宇宙化学社区和爱好者更广泛地使用该技术,已经开发了一个快速应用该技术的web界面:https://geo-cosmo-chemistry.shinyapps.io/meteorites_classification/。
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引用次数: 0
Exceptional methylmercury bioaccumulation in rice grain from karst region with high geological background 高地质背景喀斯特地区水稻籽粒甲基汞异常生物富集
IF 3.4 3区 地球科学 Q1 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2026-01-12 DOI: 10.1016/j.apgeochem.2026.106695
Langfei Wei , Shaochen Yang , Ruolan Li , Rasheed Mohammed Abdul , Yanxin Hu , Haiyu Yan , Baolin Wang , Haiyan Hu , Ping Li
Rice consumption poses significant methylmercury (MeHg) exposure risks for residents in mercury (Hg) contaminated areas, yet the corresponding health risks in high geological background (HGB) regions remain overlooked. Here, we systematically evaluated rice Hg levels across two HGB karst regions (DH and XL) and a general background area (XN), and compared them with a Hg mining area (WWR). Despite soil total Hg (THg) concentrations in all study areas being below Chinese risk screening value (0.6 mg/kg, 6.5 < pH ≤ 7.5) and significantly lower than those in WWR, DH rice exhibited alarming THg levels (21.8 ± 13.1 ng/g, n = 131), with 48.5 % exceeding Chinese safety limit (20 ng/g). This was much higher than those from XL (3.26 ± 1.23 ng/g, n = 140), XN (1.91 ± 0.68 ng/g, n = 138), and even in WWR (14.2 ± 6.9 ng/g, n = 24). Furthermore, DH exhibited remarkably elevated MeHg bioaccumulation factors (BAFs) for rice grains (27.3 ± 14.6, n = 25) compared to XL (1.40 ± 1.00, n = 25) and WWR (7.88 ± 6.93, n = 24). Principal component analysis (PCA) integrated with MeHg BAFs and translocation factors (TFs) revealed exceptional MeHg bioaccumulation capacity in DH rice, predominantly attributed to elevated MeHg uptake through rice root system. Our findings highlight a potential underestimation of Hg levels in rice from HGB regions, and propose inhibiting root uptake from soil as a viable strategy to mitigate Hg accumulation in rice.
大米消费给汞污染地区居民带来了显著的甲基汞暴露风险,但高地质背景(HGB)地区的相应健康风险仍被忽视。在此,我们系统地评估了两个HGB岩溶区(DH和XL)和一般背景区(XN)的水稻汞水平,并将其与汞矿区(WWR)进行了比较。尽管所有研究区土壤全汞(THg)浓度均低于中国风险筛查值(0.6 mg/kg, 6.5 < pH≤7.5),且显著低于WWR,但DH水稻的THg水平达到了警戒线(21.8±13.1 ng/g, n = 131),其中48.5%超过中国安全限值(20 ng/g)。这远远高于XL(3.26±1.23 ng/g, n = 140), XN(1.91±0.68 ng/g, n = 138),甚至高于WWR(14.2±6.9 ng/g, n = 24)。此外,与XL(1.40±1.00,n = 25)和WWR(7.88±6.93,n = 24)相比,DH的MeHg生物积累因子(27.3±14.6,n = 25)显著提高。主成分分析(PCA)结合MeHg BAFs和转运因子(TFs)揭示了DH水稻的MeHg生物积累能力,这主要归因于水稻根系对MeHg的吸收增加。我们的研究结果强调了对HGB地区水稻中汞含量的潜在低估,并提出了抑制土壤对根系的吸收作为减轻水稻中汞积累的可行策略。
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引用次数: 0
Impact of tectonics and fluid circulations on shale gas isotope geochemistry – A case study of the Rietheim Member at the Mont Terri anticline (Switzerland) 构造和流体循环对页岩气同位素地球化学的影响——以Mont Terri背斜Rietheim段为例(瑞士)
IF 3.4 3区 地球科学 Q1 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2026-01-12 DOI: 10.1016/j.apgeochem.2026.106696
Catherine Lerouge , Michaela Blessing , Marie Bonitz , Ana-Maria Fernández , Christine Flehoc , Nicolas Maubec , Guillaume Wille , David Jaeggi , Michael Kühn
In the framework of the hydrological survey of the Mont Terri anticline (Mont Terri rock Laboratory in the Folded Jura, Switzerland), a 58 m-deep borehole (BHS-1) was drilled through the Jurassic low permeability shale sequence. Dedicated sampling was carried out to characterize gases within a 13 m-thick unit of organic matter-rich Early Jurassic Rietheim black shales and adjacent units, including the underlying Beggingen aquifer. A cone-in-cone calcite, observed at the bottom of the black shale, as identified as an indicator of oil-window conditions and records a maximal burial temperature of ∼80–90 °C. Two fracture zones within the black shales, marked by calcite infillings, provide evidence for at least two episodes of water paleocirculations: (1) an early circulation between fractures at the top of black shales and the Main Fault, and (2) a later circulation between fracture zones within the black shales and the lower Beggingen aquifer. Gas migration was investigated within the complex geological context of regional uplift, Jura folding and thrusting, and associated water flows. Alkane data reveal a partial carbon isotope reversal of thermogenic gases within the black shales between the two fracture zones, strongly suggesting alkane migration linked to the second water paleocirculation episode.
在Mont Terri背斜水文调查的框架下(Mont Terri rock Laboratory In the褶皱Jura, Switzerland),钻了一个58 m深的井(BHS-1),穿过侏罗纪低渗透页岩层序。研究人员进行了专门的采样,以表征富含有机质的早侏罗世Rietheim黑色页岩及其邻近单元(包括Beggingen含水层)13 m厚单元中的气体特征。在黑色页岩底部观察到的锥中锥方解石被确定为油窗条件的指示物,并记录了最高埋藏温度为~ 80-90°C。黑色页岩中的两个裂缝带,以方解石充填为标志,为至少两期水古循环提供了证据:(1)黑色页岩顶部裂缝与主断层之间的早期循环,(2)黑色页岩裂缝带与Beggingen含水层下部之间的后期循环。在区域隆升、侏罗褶皱和逆冲以及相关水流的复杂地质背景下研究了天然气运移。烷烃数据显示,在两个断裂带之间的黑色页岩中,热成因气体的部分碳同位素反转,强烈表明烷烃运移与第二次水古循环事件有关。
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引用次数: 0
Sulfide mineral weathering in century-old waste rock 百年老废岩中的硫化物矿物风化
IF 3.4 3区 地球科学 Q1 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2026-01-12 DOI: 10.1016/j.apgeochem.2026.106697
Andrew Hicks, Colleen O. Harper, Richard T. Amos
The weathering of sulfide minerals in mining waste-rock piles can release acidity and metals to the environment, potentially for many decades. Although the extent and mechanisms of weathering have been investigated in several studies, most have been done on relatively young waste rock and there is a lack of information on the long-term weathering in these systems. The Ore Chimney site is an abandoned prospecting property with a ∼10 kiloton waste-rock pile that has been in place for ∼100 years. This study provides a detailed mineralogical investigation of waste-rock samples from three vertical profiles obtained in trenches dug through the 5-m depth of the pile. Analysis included optical microscopy, scanning electron microscopy with energy dispersive X-Ray spectrometry, powdered X-ray diffraction, total carbon and sulfur analysis, and solid-phase digestions followed by inductively coupled plasma atomic emission and mass spectrometry on both fine (<0.5 mm) and coarse (0.5–2 mm) fractions of sieved waste rock. The results show relatively uniform weathering throughout the waste-rock pile, and in the coarse and fine waste-rock fractions, with preferential weathering of sulfide minerals in the order sphalerite > galena > pyrite > chalcopyrite. Most sphalerite grains showed 10–30 % weathering of the exposed mineral surfaces, while the other sulfides showed no weathering in many of the grains. This study shows that despite ∼100 years of sub-aerial exposure, sulfide weathering continues, with preferential weathering of sphalerite limiting the oxidation of the other sulfide minerals and the release of acidity, while preserving the buffering capacity of carbonate minerals.
采矿废石堆中硫化物矿物的风化作用可以向环境释放酸度和金属,这种释放可能持续几十年。虽然一些研究已经对风化的程度和机制进行了调查,但大多数研究都是在相对年轻的废岩上进行的,并且缺乏这些系统中长期风化的信息。“矿烟囱”矿区是一个废弃的勘探区,这里有∼100年的∼1万吨级的废石堆。这项研究提供了一个详细的矿物学调查,从三个垂直剖面中获得的废石样本,挖掘穿过5米深的桩。分析方法包括光学显微镜、扫描电子显微镜和能量色散x射线光谱、粉末x射线衍射、总碳和硫分析,以及对筛选后的废石的细(<0.5 mm)和粗(0.5 - 2 mm)组分进行固相消化和电感耦合等离子体原子发射和质谱分析。结果表明:在整个废岩堆中,粗粒和细粒废岩组分中,风化作用相对均匀,硫化物矿物优先风化,顺序为闪锌矿、方铅矿、黄铁矿、黄铜矿。大多数闪锌矿颗粒在暴露的矿物表面表现出10 ~ 30%的风化作用,而其他硫化物在许多颗粒中没有风化作用。该研究表明,尽管暴露在地下约100年,硫化物风化仍在继续,闪锌矿的优先风化限制了其他硫化物矿物的氧化和酸度的释放,同时保留了碳酸盐矿物的缓冲能力。
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引用次数: 0
Predicting the kinetics of Cu release and transport in contaminated soils in the field 田间污染土壤Cu释放和运移动力学预测
IF 3.4 3区 地球科学 Q1 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2026-01-12 DOI: 10.1016/j.apgeochem.2026.106698
Liang Dong , Rong Li , Wenxia Wang , Zhifang Xiao , Zezhen Ren , Qianting Ye , Zhenqing Shi
Accurately predicting heavy metal release from contaminated soils remains challenging because of heterogeneous sorption sites, dynamic organic-matter turnover, and transient hydrological forcing. Here we develop a unified multi-process kinetics model that couples multi-site adsorption–desorption, vertically resolved dissolved organic carbon (DOC) dynamics, and water flow–solute transport to simulate copper (Cu) release in two contaminated field sites during rainfall events. We further accelerate the numerical solver with a machine-learning surrogate model, achieving more than 100-fold speed-up. Rainfall–evaporation experiments at two Cu-contaminated soils with contrasting textures and contamination levels showed that less than 5 % of total Cu was labile, and that soil organic matter dominated Cu binding. The model reproduced depth-resolved dissolved Cu profiles with symmetric mean absolute percentage errors of 26–30 %, by capturing rainfall-driven dilution, adsorption–desorption kinetics, and DOC-mediated mobilization. Our results show that short-term Cu mobility is controlled primarily by its labile fraction rather than total concentration, and that coupling carbon cycling with hydrodynamics is essential for field-scale predictions. This transferable modeling framework enables mechanistic and site-specific forecasts of heavy-metal fate under diverse and changing environmental conditions.
准确预测重金属从污染土壤释放仍然具有挑战性,因为不均匀的吸附位置,动态有机质周转和瞬态水文强迫。在此,我们建立了一个统一的多过程动力学模型,该模型耦合了多位点吸附-解吸,垂直溶解有机碳(DOC)动力学和水流-溶质运移,以模拟降雨事件中两个污染场地的铜(Cu)释放。我们使用机器学习代理模型进一步加速数值求解器,实现了超过100倍的加速。在两种不同质地和污染程度的Cu污染土壤上进行的降雨蒸发试验表明,Cu的挥发性低于5%,土壤有机质对Cu的结合起主导作用。该模型通过捕获降雨驱动的稀释、吸附-解吸动力学和doc介导的动员,再现了深度分辨的溶解铜剖面,对称平均绝对百分比误差为26 - 30%。我们的研究结果表明,短期铜迁移率主要由其不稳定部分而不是总浓度控制,并且将碳循环与流体动力学相结合对于现场规模的预测至关重要。这种可转移的建模框架能够在不同和不断变化的环境条件下对重金属的命运进行机械和特定地点的预测。
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引用次数: 0
Deciphering critical factors of rare metal mineralization: New insights from machine learning analysis of zircon geochemistry data 破译稀有金属矿化的关键因素:锆石地球化学数据的机器学习分析的新见解
IF 3.4 3区 地球科学 Q1 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2026-01-08 DOI: 10.1016/j.apgeochem.2026.106686
Yunfei Zhang , Lei Liu , Sun Jiandong , Heng Liu , Chuangye Zhang , Zhou Weijian
Rare metal (Li, Be, Nb, Ta, Rb, Cs) deposits, one of the world's primary sources of lithium, have seen rapidly growing demand due to the accelerated development of strategic emerging industries. The formation of these deposits is closely associated with magmatic-hydrothermal processes that produce highly fractionated pegmatites. However, post-mineralization processes can obscure geochemical signatures recorded in rocks and minerals, inevitably introducing uncertainty when using conventional discrimination diagrams to assess the mineralization potential of pegmatites. To address this uncertainty, we developed a novel semi-supervised machine learning (ML) approach that integrates XGBoost and BPNN (backpropagation neural network) in parallel fusion. This method leverages zircon trace element data to decipher critical mineralization indicators from single-mineral geochemical signatures, aiding in the effective evaluation of pegmatite mineralization potential. To ensure model transparency and interpretability, we employed Shapley Additive explanations (SHAP) for model interpretation. The results revealed the following: (1) high δCe-high U-high Eu values represent a diagnostic signature of granitic zircons; (2) high δEu-high Yb-high Pr values are characteristic of pegmatitic zircons; while (3) high Tb-high Nd-high Pr values comprise the key discriminant of zircons within mineralized pegmatites. The parallel-fused XGBoost + BPNN model demonstrates robust capability in differentiating between granite- and pegmatite-hosted zircons and zircons within mineralized and barren pegmatites, therefore providing a reliable tool for assessing regional rare metal mineralization potential.
稀有金属(Li、Be、Nb、Ta、Rb、Cs)矿床是世界上锂的主要来源之一,随着战略性新兴产业的加速发展,其需求迅速增长。这些矿床的形成与产生高分异伟晶岩的岩浆热液作用密切相关。然而,矿化后过程可以模糊岩石和矿物中记录的地球化学特征,不可避免地在使用常规判别图评估伟晶岩的成矿潜力时引入不确定性。为了解决这种不确定性,我们开发了一种新的半监督机器学习(ML)方法,该方法将XGBoost和BPNN(反向传播神经网络)并行融合。该方法利用锆石微量元素数据,从单矿物地球化学特征中破译关键成矿指标,有助于有效评价伟晶岩的成矿潜力。为了保证模型的透明性和可解释性,我们采用Shapley加性解释(SHAP)进行模型解释。结果表明:(1)高δ ce -高u -高Eu值是花岗岩锆石的诊断特征;(2)高δ eu -高yb -高Pr值是伟晶质锆石的特征;(3)高tb -高nd -高Pr值是矿化伟晶岩中锆石的关键判别指标。并行融合的XGBoost + BPNN模型在区分花岗岩和伟晶岩为主的锆石以及矿化和贫瘠伟晶岩中的锆石方面表现出强大的能力,因此为评估区域稀有金属成矿潜力提供了可靠的工具。
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引用次数: 0
Impact of mixing pattern on oil-mineral aggregation and oil removal in coastal waters: A lab-scale study 混合模式对沿海水域油气聚集和除油的影响:实验室规模的研究
IF 3.4 3区 地球科学 Q1 GEOCHEMISTRY & GEOPHYSICS Pub Date : 2026-01-08 DOI: 10.1016/j.apgeochem.2025.106676
T.R. Akshaya , Ethayaraja Mani , K. Murali , Jan Schwarzbauer
Ensuing an oil spill, oil-mineral aggregates (OMAs) are formed due to the aggregation of dispersed oil droplets with suspended sediment particles such as clay minerals. This process mainly occurs in coastal areas where suspended sediments interact with the oil droplets formed by the turbulent action of the waves. To better understand the effect of the mixing patterns on OMA formation, we study the formation and oil removal percentage (ORP) of OMAs under two mixing conditions: (1) orbital shaker and (2) magnetic stirrer, representing inward and outward directional flow patterns, respectively, at similar mixing energies. It impacts OMA formation by altering droplet-particle collision frequency and the balance between aggregation and shear-induced breakup. The experiments are conducted using bentonite and kaolinite clay at various concentrations. The kinetics of ORP are analysed using a logistic saturation curve, and the kinetic parameters are determined. The findings of the study indicate that the ORP is higher for mixing conditions of the orbital shaker, which causes the fluid to move along the container wall creating a swirling motion. The fastest removal occurred at a concentration of 1 g/L for kaolinite OMAs. The maximum ORP was observed to be 70 % for kaolinite and 65 % for bentonite. This work establishes a clear understanding of the effect of the mixing flow directionality on ORP and OMA formation under various concentrations. These findings provide valuable insights into the natural attenuation of dispersed oil in coastal environments and improve the mitigation of the impacts of oil spills.
石油泄漏后,由于分散的油滴与悬浮的沉积物颗粒(如粘土矿物)聚集在一起,形成了石油矿物聚集体(OMAs)。这一过程主要发生在沿海地区,在那里悬浮的沉积物与波浪湍流作用形成的油滴相互作用。为了更好地了解混合模式对OMA形成的影响,我们研究了两种混合条件下OMA的形成和除油率(ORP):(1)轨道振动器和(2)磁力搅拌器,分别代表向内和向外的方向流动模式,在相似的混合能量下。它通过改变液滴-颗粒碰撞频率以及聚集和剪切破碎之间的平衡来影响OMA的形成。实验采用不同浓度的膨润土和高岭土进行。用logistic饱和曲线分析了ORP的动力学,确定了动力学参数。研究结果表明,轨道激振器的混合条件下ORP更高,这使得流体沿着容器壁运动,产生旋转运动。高岭石型OMAs在浓度为1 g/L时去除速度最快。高岭石和膨润土的最大ORP分别为70%和65%。本研究明确了不同浓度下混合流方向对ORP和OMA形成的影响。这些发现对沿海环境中分散的石油的自然衰减提供了有价值的见解,并改善了石油泄漏影响的缓解。
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引用次数: 0
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Applied Geochemistry
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