Acta GeochimicaPub Date : 2024-04-17DOI: 10.1007/s11631-024-00685-3
Yu Zhang, Can Cui, Sen Lin, Heping Li, Lian Yang, Yadian Xie, Hailiang Hu, Lingyun Zhou, Huanjiang Wang, Chunyan Li
{"title":"In-situ electrochemical study on the effects of Fe(III) on kinetics of pyrite acidic pressure oxidation","authors":"Yu Zhang, Can Cui, Sen Lin, Heping Li, Lian Yang, Yadian Xie, Hailiang Hu, Lingyun Zhou, Huanjiang Wang, Chunyan Li","doi":"10.1007/s11631-024-00685-3","DOIUrl":"10.1007/s11631-024-00685-3","url":null,"abstract":"<div><p>Fe(III) has been proved to be a more effective oxidant than dissolved oxygen at ambient temperature, however, the role of Fe(III) in pyrite acidic pressure oxidation was rarely discussed so far. In this paper, in-situ electrochemical investigation was performed using a flow-through autoclave system in acidic pressure oxidation environment. The results illustrated that increasing Fe(III) concentrations led to raising in redox potential of the solution, and decreased passivation of pyrite caused by deposition of elemental sulfur. Reduction of Fe(III) at pyrite surface was a fast reaction with low activation energy, it was only slightly promoted by rising temperatures. While, the oxidation rate of pyrite at all investigated Fe(III) concentrations increased obviously with rising temperatures, the anodic reaction was the rate-limiting step in the overall reaction. Activation energy of pyrite oxidation decreased from 47.74 to 28.79 kJ/mol when Fe(III) concentration was increased from 0.05 to 0.50 g/L, showing that the reaction kinetics were limited by the rate of electrochemical reaction at low Fe(III) concentrations, while, it gradually turned to be diffusion control with increasing Fe(III) concentrations.</p></div>","PeriodicalId":7151,"journal":{"name":"Acta Geochimica","volume":"43 4","pages":"814 - 825"},"PeriodicalIF":1.4,"publicationDate":"2024-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140693868","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Acta GeochimicaPub Date : 2024-04-09DOI: 10.1007/s11631-024-00688-0
Qing-Qing Zhang, You-Wei Chen, Jian-Feng Gao
{"title":"Trace elements in magmatic and hydrothermal quartz: Implications on the genesis of the Xingluokeng Tungsten Deposit, South China","authors":"Qing-Qing Zhang, You-Wei Chen, Jian-Feng Gao","doi":"10.1007/s11631-024-00688-0","DOIUrl":"10.1007/s11631-024-00688-0","url":null,"abstract":"<div><p>The Xingluokeng deposit is the largest granite-related tungsten deposit within the Wuyi metallogenic belt in South China. The Xingluokeng intrusion primarily consists of porphyritic biotite granite, biotite granite, and fine-grained granite. The deposit is represented by veinlet-disseminated mineralization with K-feldspathization and biotitization, alongside quartz-vein mineralization with greisenization and sericitization. This study investigates <i>in-situ</i> analyses of quartz compositions from both the intrusion and hydrothermal veinlets and veins. Trace element correlations indicate that trivalent Al<sup>3+</sup> and Fe<sup>3+</sup> replace Si<sup>4+</sup> within the quartz lattice, with monovalent cations (such as Li<sup>+</sup>, Na<sup>+</sup>, and K<sup>+</sup>) primarily serving as charge compensators. Low Ge/Al ratios (< 0.013) of quartz from granites suggest a magmatic origin. The low Al/Ti and Ge/Ti ratios, accompanied by high Ti contents in quartz, suggest that the porphyritic biotite granite and biotite granite are characterized by relatively low levels of differentiation and high crystallization temperatures. In contrast, the fine-grained granite exhibits a higher degree of fractionation, lower crystallization temperatures, and a closer association with tungsten mineralization. Ti contents in quartz from quartz veins indicate Qz-I formed at temperatures above 400 °C, while Qz-II to Qz-V formed at temperatures below 350 °C. Variations in different generations of quartz, as indicated by Al content and (Al + Fe)/(Li + Na + K) ratio, suggest that Qz-I precipitated from a less acidic fluid with a stable pH, whereas Qz-II to Qz-V originated from a more acidic fluid with notable pH variations. Consequently, alkaline alteration and acidic alteration supplied the essential Ca and Fe for the precipitation of scheelite and wolframite, respectively, highlighting a critical mechanism in tungsten mineralization at the Xingluokeng deposit.</p></div>","PeriodicalId":7151,"journal":{"name":"Acta Geochimica","volume":"43 3","pages":"441 - 458"},"PeriodicalIF":1.4,"publicationDate":"2024-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140727761","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Acta GeochimicaPub Date : 2024-04-09DOI: 10.1007/s11631-024-00690-6
Ziqi Wang, You Zhou, Yun Liu
{"title":"Correction: The escape mechanisms of the proto-atmosphere on terrestrial planets: “boil-off” escape, hydrodynamic escape and impact erosion","authors":"Ziqi Wang, You Zhou, Yun Liu","doi":"10.1007/s11631-024-00690-6","DOIUrl":"10.1007/s11631-024-00690-6","url":null,"abstract":"","PeriodicalId":7151,"journal":{"name":"Acta Geochimica","volume":"43 3","pages":"623 - 623"},"PeriodicalIF":1.4,"publicationDate":"2024-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140725502","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Acta GeochimicaPub Date : 2024-04-09DOI: 10.1007/s11631-024-00687-1
Tao Ruan, Zhong-Jie Bai, Wei-Guang Zhu, Shi-Ji Zheng
{"title":"Melting geodynamics reveals a subduction origin for the Purang ophiolite, Tibet, China","authors":"Tao Ruan, Zhong-Jie Bai, Wei-Guang Zhu, Shi-Ji Zheng","doi":"10.1007/s11631-024-00687-1","DOIUrl":"10.1007/s11631-024-00687-1","url":null,"abstract":"<div><p>The debate regarding whether the Yarlung–Zangbo ophiolite (YZO) on the south of the Qinghai-Tibet Plateau, formed in a mid-ocean ridge (MOR) or a supra-subduction zone (SSZ) setting has remained unresolved. Here we present petrological, mineralogical, and geochemical data associated with modeling melting geodynamics of the mantle peridotites from the Purang ophiolite in the western segment of the Yarlung–Zangbo Suture Zone (YZSZ) to explore its tectonic environment. The Purang lherzolites are characterized by the protogranular texture and have abyssal-peridotite-like mineral compositions, including low Cr<sup>#</sup> (20–30) and TiO<sub>2</sub> contents (<0.1wt%) in spinel, high Al<sub>2</sub>O<sub>3</sub> (2.9wt% – 4.4wt%) and CaO (1.9wt% – 3.7wt%) contents in orthopyroxene and LREE-depletion in clinopyroxene. Compositions of these lherzolites can be modeled by ~11% dynamic melting of the DMM source with a small fraction of melt (~0.5%) entrapped within the source, a similar melting process to typical abyssal peridotites. The Purang harzburgites are characterized by the porphyroclastic texture and exhibit highly refractory mineral compositions such as high spinel Cr<sup>#</sup> (40–68), low orthopyroxene Al<sub>2</sub>O<sub>3</sub> (<2.2wt%) and CaO (<1.1wt%) contents. Clinopyroxenes in these harzburgites are enriched in Sr (up to 6.0 ppm) and LREE [(Ce)<sub>N</sub> = 0.02–0.4], but depleted in Ti (200 ppm, on average) and HREE [(Yb)<sub>N</sub> < 2]. Importantly, the more depleted samples tend to have higher clinopyroxene Sr and LREE contents. These observations indicate an open-system hydrous melting with a continuous influx of slab fluid at a subduction zone. The modeled results show that these harzburgites could be formed by 19% – 23% hydrous melting with the supply rate of slab fluid at 0.1%–1%. The lower clinopyroxene V/Sc ratios in harzburgites than those in lherzolites suggest a high oxidation stage of the melting system of harzburgites, which is consistent with a hydrous melting environment for these harzburgites. It is therefore concluded that the Purang ophiolite has experienced a transformation of tectonic setting from MOR to SSZ.</p></div>","PeriodicalId":7151,"journal":{"name":"Acta Geochimica","volume":"43 4","pages":"754 - 773"},"PeriodicalIF":1.4,"publicationDate":"2024-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140724423","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Acta GeochimicaPub Date : 2024-04-08DOI: 10.1007/s11631-024-00683-5
America Yosiris García-Soto, Kailasa Pandarinath, E. Santoyo, Eduardo Gonzalez-Partida
{"title":"Hydrothermal alteration of the surface volcanic rocks at the Acoculco geothermal field, Mexico: a multi-parametric approach","authors":"America Yosiris García-Soto, Kailasa Pandarinath, E. Santoyo, Eduardo Gonzalez-Partida","doi":"10.1007/s11631-024-00683-5","DOIUrl":"10.1007/s11631-024-00683-5","url":null,"abstract":"<div><p>The studies on hydrothermal alteration-induced effects in surface and subsurface rocks provide useful information in the characterization and exploitation of a geothermal reservoir. Generally, these studies are based on traditional, and reliable methods like petrography (primary and secondary minerals, and grade of alteration), and geochemistry (mobility of elements, changes in mass and concentration of elements, and fluid inclusions). Recently, apart from these established methods, some methods based on the geochemical (Chemical Index of Alteration, CIA; Weathering Index of Parkar, WIP; Loss on Ignition, LOI; and Sulfur, S) and rock magnetic properties (magnetic susceptibility, χlf; and percentage frequency-dependent susceptibility, χfd%) are also being applied in the identification of whether a rock is an altered or a fresh one. The Acoculco Geothermal Field (AGF), Mexico, is characterized by high temperature and very low permeability, and it is considered a promissory Enhanced Geothermal System. The following changes are observed in the rocks as a result of an increase in hydrothermal alteration: (1) an increase in CIA, LOI, and S values, and a decrease in WIP; (2) an increase in quartz and quartz polymorph minerals (silicification), and clay minerals (argillization); and (3) decrease in χlf values. At AGF, the most altered surface acid rocks are characterized by entirely quartz and its polymorphs, and clay minerals. The present study also indicates the applicability of the binary plots of major elements (felsic vs mafic component) and rock magnetic parameters (χlf vs. χfd%). The rock with χfd% value of 2–10 and χlf value < 0.5 × 10<sup>–6</sup> m<sup>3</sup> kg<sup>−1</sup> indicate the presence of single domain and stable single domain grains, which in turn suggests that it is an altered rock. These methods are simple to apply, rapid, reliable, and have the potential to become effective tools for the identification of hydrothermally altered rocks during the initial stage of geothermal exploration.</p></div>","PeriodicalId":7151,"journal":{"name":"Acta Geochimica","volume":"43 6","pages":"1037 - 1053"},"PeriodicalIF":1.4,"publicationDate":"2024-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11631-024-00683-5.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140731318","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Acta GeochimicaPub Date : 2024-04-07DOI: 10.1007/s11631-024-00691-5
Chenlu Yang, Yining Zhang, Yun Liu
{"title":"Nuclear volume effects in kinetic isotope fractionation: A case study of mercury oxidation by chlorine species","authors":"Chenlu Yang, Yining Zhang, Yun Liu","doi":"10.1007/s11631-024-00691-5","DOIUrl":"10.1007/s11631-024-00691-5","url":null,"abstract":"<div><p>It is well-known that the equilibrium isotope fractionation of mercury (Hg) includes classical mass-dependent fractionations (MDFs) and nuclear volume effect (NVE) induced mass-independent fractionations (MIFs). However, the effect of the NVE on these kinetic processes is not known. The total fractionations (MDFs + NVE-induced MIFs) of several representative Hg-incorporated substances were selected and calculated with ab initio calculations in this work for both equilibrium and kinetic processes. NVE-induced MIFs were calculated with scaled contact electron densities at the nucleus through systematic evaluations of their accuracy and errors using the Gaussian09 and DIRAC19 packages (named the electron density scaling method). Additionally, the NVE-induced kinetic isotope effect (KIE) of Hg isotopes are also calculated with this method for several representative Hg oxidation reactions by chlorine species. Total KIEs for <sup>202</sup>Hg/<sup>198</sup>Hg ranging from − 2.27‰ to 0.96‰ are obtained. Three anomalous <sup>202</sup>Hg-enriched KIEs (δ<sup>202</sup>Hg/<sup>198</sup>Hg = 0.83‰, 0.94‰, and 0.96‰,) caused by the NVE are observed, which are quite different from the classical view (i.e., light isotopes react faster than the heavy ones). The electron density scaling method we developed in this study can provide an easier way to calculate the NVE-induced KIEs for heavy isotopes and serve to better understand the fractionation mechanisms of mercury isotope systems.</p></div>","PeriodicalId":7151,"journal":{"name":"Acta Geochimica","volume":"43 3","pages":"411 - 423"},"PeriodicalIF":1.4,"publicationDate":"2024-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140733127","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Acta GeochimicaPub Date : 2024-04-05DOI: 10.1007/s11631-024-00684-4
Tao Yang, Zhi-yuan Sun, Ming-liang Wang, Xiao-qiang Zhu, Jing-yu Zhao
{"title":"Zircon U–Pb geochronologic, geochemical and Sr–Nd–Pb isotope characteristics of the Beidaban granites in the North Qilian Orogenic Belt: Petrogenesis and tectonic implications","authors":"Tao Yang, Zhi-yuan Sun, Ming-liang Wang, Xiao-qiang Zhu, Jing-yu Zhao","doi":"10.1007/s11631-024-00684-4","DOIUrl":"10.1007/s11631-024-00684-4","url":null,"abstract":"<div><p>The tectonic evolution and crustal accretion process of the North Qilian Orogenic Belt (NQOB) are still under debate because of a lack of integrated constraints, especially the identification of the tectonic transition from arc to initial collision. Here we present results from zircon U–Pb geochronology, whole-rock geochemistry, and Sr–Nd–Pb isotope geochemistry of the Beidaban granites to provide crucial information for geodynamic evolution of NQOB. Zircon U–Pb dating yields an age of 468 ± 10 Ma for the Beidaban granites and most of the Beidaban samples contain amphibole, are potassium-rich, and have A/CNK values ranging from 0.7 to 0.9, illustrating that the Middle Ordovician Beidaban granites are K-rich, metaluminous, calc-alkaline granitoid. The geochemical characteristics indicate that the Beidaban granites are transitional I/S-type granitoids that formed in an arc setting. The isotopic compositions of initial (<sup>87</sup>Sr/<sup>86</sup>Sr)<sub>i</sub> values ranging from 0.70545 to 0.71082 (0.70842 on average) and εNd(t) values ranging from − 10.9 to − 6.7 (− 8.8 on average) with two-stage Nd model ages (T<sub>DM2</sub>) of 1.74–2.08 Ga suggest that the Beidaban granites originated from Paleoproterozoic crustal materials. In addition, the initial Pb isotopic compositions (<sup>206</sup>Pb/<sup>204</sup>Pb = 19.14–20.26; <sup>207</sup>Pb/<sup>204</sup>Pb = 15.71–15.77; <sup>208</sup>Pb/<sup>204</sup>Pb = 37.70–38.26) and geochemical features, such as high Th/Ta (17.43–30.12) and Rb/Nb (6.01–15.49) values, suggest that the Beidaban granite magma source involved recycled crustal components with igneous rocks. Based on these results in combination with previously published geochronological and geochemical data from other early Paleozoic igneous rocks, we suggest that the timing of the tectonic transition from arc to the initial collision to the final closure of the North Qilian Ocean can be constrained to the Middle-Late Ordovician (ca. 468–450 Ma).</p></div>","PeriodicalId":7151,"journal":{"name":"Acta Geochimica","volume":"43 6","pages":"1087 - 1104"},"PeriodicalIF":1.4,"publicationDate":"2024-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140736370","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Acta GeochimicaPub Date : 2024-04-01DOI: 10.1007/s11631-024-00686-2
Jingwei Guan, Tao Ren, Lei Wang, Shenjin Guan, Lianrong Wu, Baosheng Shi
{"title":"Reduced magma generation and its implications for the Pulang giant porphyry Cu-polymetallic deposit in Northwest Yunnan, China","authors":"Jingwei Guan, Tao Ren, Lei Wang, Shenjin Guan, Lianrong Wu, Baosheng Shi","doi":"10.1007/s11631-024-00686-2","DOIUrl":"10.1007/s11631-024-00686-2","url":null,"abstract":"<div><p>The Pulang giant porphyry Cu-Mo polymetallic deposit is located in the Zhongdian area in the center of the Sanjiang Tethys tectonic domain, which was formed by the westward subduction of the Garze-Litang oceanic slab beneath the Zhongza massif. Chalcopyrite-pyrrhotite-pyrite-molybdenite occurs as disseminations, veins, veinlets, and stockworks distributed in the K-silicate alteration zone in the monzonite porphyry, which is superimposed by propylitization. The chemical compositions of biotite and amphibole analyzed by electron probe microanalysis (EPMA) indicate that the ore-forming magma and exsolved fluids experienced a continuous decrease in the oxygen fugacity (<i>f</i>O<sub>2</sub>). Primary amphibolite and biotite (type I) crystallized at relatively high temperatures (744–827 °C) and low <i>f</i>O<sub>2</sub> (log<i>f</i>O<sub>2</sub> = − 12.26 to − 11.91) during the magmatic stage. Hydrothermal fluids exsolved from the magma have a relatively lower temperature (621–711 °C) and <i>f</i>O<sub>2</sub> (log<i>f</i>O<sub>2</sub> = − 14.36 to − 13.32) than the original magma. In addition, the presence of a high abundance of pyrrhotite and an insufficiency of primary magnetite and sulfate in the ore (i.e., anhydrite and gypsum) indicate that the deposit may be a reduced porphyry deposit. Magma and fluid <i>f</i>O<sub>2</sub> results, combined with previous research on magmatic <i>f</i>O<sub>2</sub> at the Pulang deposit, indicate that the magma associated with the reduced Pulang ore assemblages was initially generated as a highly oxidized magma that was subsequently reduced by sedimentary rocks of the Tumugou Formation.</p></div>","PeriodicalId":7151,"journal":{"name":"Acta Geochimica","volume":"43 4","pages":"802 - 813"},"PeriodicalIF":1.4,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142409192","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Acta GeochimicaPub Date : 2024-03-28DOI: 10.1007/s11631-024-00682-6
Monir Modjarrad, Donna L. Whitney, Hadi Omrani
{"title":"Petrologic evolution of the Gysian ophiolitic serpentinites, NW Iran","authors":"Monir Modjarrad, Donna L. Whitney, Hadi Omrani","doi":"10.1007/s11631-024-00682-6","DOIUrl":"10.1007/s11631-024-00682-6","url":null,"abstract":"<div><p>The Gysian ophiolite of NW Iran is located at the intersection of the ophiolite belts of SE Turkey, NE Iraq, and Iran, and provides the opportunity to investigate the preserved subduction and obduction history of an important tectonic site that has not previously been studied. The serpentinized peridotites of the Gysian ophiolite contain the assemblage lizardite + chrysotile + spinel/Mg-spinel with relict clinopyroxene (diopside) and very rare relict orthopyroxene and olivine. The compositions of clinopyroxenes and spinels are more consistent with the formation of the inferred protolith harzburgites in a fore-arc or supra-subduction zone instead of an abyssal environment. The Gysian ophiolite is a remnant of the Neo-Tethyan arc-ophiolitic system and records shallow subduction (< 50 km, indicated by the absence of antigorite) in the Late Cretaceous to Paleocene before obduction along thrust faults over the continental margin. We review the spatial trends of the metamorphic grade of the Neo-Tethyan ophiolites in this region and provide detailed information about the petrology and mineral chemistry of the Gysian ophiolite.</p></div>","PeriodicalId":7151,"journal":{"name":"Acta Geochimica","volume":"43 5","pages":"996 - 1011"},"PeriodicalIF":1.4,"publicationDate":"2024-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140369399","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Acta GeochimicaPub Date : 2024-03-22DOI: 10.1007/s11631-024-00680-8
Ghazal Kooti, Reza Taherdangkoo, Chaofan Chen, Nikita Sergeev, Faramarz Doulati Ardejani, Tao Meng, Christoph Butscher
{"title":"Machine learning prediction of methane, ethane, and propane solubility in pure water and electrolyte solutions: Implications for stray gas migration modeling","authors":"Ghazal Kooti, Reza Taherdangkoo, Chaofan Chen, Nikita Sergeev, Faramarz Doulati Ardejani, Tao Meng, Christoph Butscher","doi":"10.1007/s11631-024-00680-8","DOIUrl":"10.1007/s11631-024-00680-8","url":null,"abstract":"<div><p>Hydraulic fracturing is an effective technology for hydrocarbon extraction from unconventional shale and tight gas reservoirs. A potential risk of hydraulic fracturing is the upward migration of stray gas from the deep subsurface to shallow aquifers. The stray gas can dissolve in groundwater leading to chemical and biological reactions, which could negatively affect groundwater quality and contribute to atmospheric emissions. The knowledge of light hydrocarbon solubility in the aqueous environment is essential for the numerical modelling of flow and transport in the subsurface. Herein, we compiled a database containing 2129 experimental data of methane, ethane, and propane solubility in pure water and various electrolyte solutions over wide ranges of operating temperature and pressure. Two machine learning algorithms, namely regression tree (RT) and boosted regression tree (BRT) tuned with a Bayesian optimization algorithm (BO) were employed to determine the solubility of gases. The predictions were compared with the experimental data as well as four well-established thermodynamic models. Our analysis shows that the BRT-BO is sufficiently accurate, and the predicted values agree well with those obtained from the thermodynamic models. The coefficient of determination (R<sup>2</sup>) between experimental and predicted values is 0.99 and the mean squared error (MSE) is 9.97 × 10<sup>−8</sup>. The leverage statistical approach further confirmed the validity of the model developed.</p></div>","PeriodicalId":7151,"journal":{"name":"Acta Geochimica","volume":"43 5","pages":"971 - 984"},"PeriodicalIF":1.4,"publicationDate":"2024-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11631-024-00680-8.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140215289","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}