geochemical models
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Selene Olea-Olea ◽  
Oscar Escolero ◽  
Jürgen Mahlknecht ◽  
Jorge Mona ◽  
Lucia Ortega ◽  

Minerals ◽  
2022 ◽  
Vol 12 (1) ◽  
pp. 103
Timofey Timkin ◽  
Mahnaz Abedini ◽  
Mansour Ziaii ◽  
Mohammad Reza Ghasemi

In this study, the zonality method has been used to separate geochemical anomalies and to calculate erosional levels in the regional scale for porphyry-Cu deposit, Abrisham-Rud (Semnan province, East of Iran). In geochemical maps of multiplicative haloes, the co-existence of both the supra-ore elements and sub-ore elements local maxima implied blind mineralization in the northwest of the study area. Moreover, considering the calculated zonality indices and two previously presented geochemical models, E and NW of the study have been introduced as ZDM and BM, respectively. For comparison, the geological layer has been created by combining rock units, faults, and alterations utilizing the K-nearest neighbor (KNN) algorithm. The rock units and faults have been identified from the geological map; moreover, alterations have been detected by using remote sensing and ASTER images. In the geological layer map related to E of the study area, many parts have been detected as high potential areas; in addition, both geochemical and geological layer maps only confirmed each other at the south of this area and suggested this part as high potential mineralization. Therefore, high potential areas in the geological layer map could be related to the mineralization or not. Due to the incapability of the geological layer in identifying erosional levels, mineralogy investigation could be used to recognize this level; however, because of the high cost, mineralogy is not recommended for application on a regional scale. The findings demonstrated that the zonality method has successfully distinguished geochemical anomalies including BM and ZDM without dependent on alteration and was able to predict erosional levels. Therefore, this method is more powerful than the geological layer.

2021 ◽  
Vol 56 ◽  
pp. 33-43
Marco De Lucia ◽  
Michael Kühn

Abstract. Advances in computing and experimental capabilities in the research of water-rock-interactions require geoscientists to routinely combine laboratory data and models to produce new knowledge. Data science is hence a more and more pervasive instrument for geochemists, which in turn demands flexible and easy to learn software adaptable to their specific needs. The GNU R language and programming environment has established itself as de facto standard language for statistics and machine learning, enjoying increasing diffusion in many applied scientific fields such as bioinformatics, chemometrics and ecological modelling. The availability of excellent third party extensions as well as its advanced graphical and numerical capabilities make R an ideal platform for comprehensive geochemical data analysis, experiment evaluation and modelling. We introduce the open source RedModRphree extension package, which leverages the R interface to the established PHREEQC geochemical simulator. The aim of RedModRphree is to provide the user with an easy-to-use, high-level interface to program algorithms involving geochemical models: parameter calibration, error and sensitivity analysis, thermodynamical database manipulation, up to CPU-intensive parallel coupled reactive transport models. Among the out-of-the-box features included in RedModRphree, we highlight the computation and visualization of Pourbaix (Eh-pH) diagrams using full speciation as computed by PHREEQC and the implementation of 1D advective reactive transport supporting the use of surrogate models replacing expensive equation-based calculations.

Forests ◽  
2021 ◽  
Vol 12 (10) ◽  
pp. 1352
Tomáš Přívětivý ◽  
Pavel Šamonil

Deadwood is a resource of water, nutrients, and carbon, as well as an important driving factor of spatial pedocomplexity and hillslope processes in forested landscapes. The applicability of existing relevant studies in mountain forests in Central Europe is limited by the low number of data, absence of precise dating, and short time periods studied. Here, we aimed to assess the decomposition pathway in terms of changes and variability in the physical characteristics of deadwood (wood density, biomass, and moisture) during the decomposition process, and to describe differences in decomposition rate. The research was carried out in the Žofínský Primeval Forest, one of the oldest forest reserves in Europe. Samples were taken from sapwood of downed logs of the three main tree species: Fagus sylvatica L., Abies alba Mill., and Picea abies (L.) Karst. The time since the death of each downed log was obtained using tree censuses repeated since 1975 and dendrochronology. The maximal time since the death of a log was species-specific, and ranged from 61–76 years. The rate of change (slope) of moisture content along the time since death in a linear regression model was the highest for F. sylvatica (b = 3.94) compared to A. alba (b = 2.21) and P. abies (b = 1.93). An exponential model showing the dependence of biomass loss on time since death revealed that F. sylvatica stems with a diameter of 50–90 cm had the shortest decomposition rate—51 years—followed by P. abies (71 years) and A. alba (72 years). Our findings can be used in geochemical models of element cycles in temperate old-growth forests, the prediction of deadwood dynamics and changes in related biodiversity, and in refining management recommendations.

Geology ◽  
2021 ◽  
Jussi S. Heinonen ◽  
Frank J. Spera ◽  
Wendy A. Bohrson

Some geochemical models for basaltic and more primitive rocks suggest that their parental magmas have assimilated tens of weight percent of crustal silicate wall rock. But what are the thermodynamic limits for assimilation in primitive magmas? We pursue this question quantitatively using a freely available thermodynamic tool for phase equilibria modeling of open magmatic systems—the Magma Chamber Simulator (—and focus on modeling assimilation of wall-rock partial melts, which is thermodynamically more efficient compared to bulk assimilation of stoped wall-rock blocks in primitive igneous systems. In the simulations, diverse komatiitic, picritic, and basaltic parental magmas assimilate progressive partial melts of preheated average lower, middle, and upper crust in amounts allowed by thermodynamics. Our results indicate that it is difficult for any subalkaline primitive magma to assimilate more than 20–30 wt% of upper or middle crust before evolving to compositions with higher SiO2 than a basaltic magma (52 wt%). On the other hand, typical komatiitic magmas have thermodynamic potential to assimilate as much as their own mass (59–102 wt%) of lower crust and retain a basaltic composition. The compositions of the parental melt and the assimilant heavily influence both how much assimilation is energetically possible in primitive magmas and the final magma composition given typical temperatures. These findings have important implications for the role of assimilation in the generation and evolution of, e.g., ultramafic to mafic trans-Moho magmatic systems, siliceous high-Mg basalts, and massif-type anorthosites.

2021 ◽  
S. Clark

The three-way collision of the Indo-Australian, Eurasian and Pacific plates have resulted in Southeast Asia being the most tectonically complex region on Earth. This is particularly true for Offshore Aceh’s Andaman Sub-Basin, which has undergone complex late Eocene-Recent evolution. Despite a long history of hydrocarbon exploration and production, data scarcity in the offshore means that the Sub-Basin’s regional tectonics and structural framework have been poorly understood. Pre-1996 2D seismic data were low-fold and low-offset, however the 2019 PGS (NSMC3D) regional 3D survey imaged the entire Cenozoic sequence, enabling the delineation of a high-resolution tectonic framework for the first time. Integration of interpretations drawn from geophysical datasets with a 2019 biostratigraphy study has refined the ages of critical sequence boundaries and advanced the understanding of major structural elements. GEM™, the Geognostics Earth Model, has been used to place these interpretations in a regional tectonic and kinematic context using a series of high resolution plate animations. Andaman Sub-Basin formation initiated in response to the northward motion of India and collision with Eurasia, suturing the West Burma and Sibumasu Terranes through the middle-late Eocene. Continued northward motion of the Indo-Australian Plate resulted in further subduction along the Sunda Trench with associated oblique back-arc extension in present-day onshore and offshore Java and Sumatra. Concurrent rotation of Sundaland, with sinistral strike-slip motion along the Ranong and Khlong Mauri fault zones, resulted in the two rifting phases within the late Eocene (~40Ma) to early Oligocene in the Andaman Sub-Basin. Significant inversion events at 30Ma and 23Ma formed in response to dextral transpression associated with rotational extrusion of Indochina and Sundaland. Rapid subsidence followed the 30Ma inversion, resulting in a switch to post-rift sag and bathyal conditions during which turbidites infilled seabed topography. The onset of dextral strike slip between the West Burma Terrane along the Saigang fault system occurred at ~26Ma, causing transtension in the Andaman Sub-basin that terminated at 23Ma. At approximately 5Ma inversion and toe thrusts developed along the Sub-Basin’s southern margin due to uplift within the Barisan mountains. Refinement of the tectonic model, integrated with updated biostratigraphic and geochemical models, resulted in a revised tectono-stratigraphy for the Andaman Sub-Basin, which provides a predictive depositional model in which paleogeography and structural reactivation can be understood in a regional context.

Minerals ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 723
Veerle Vandeginste

The formation of dolomite is very challenging in the laboratory under ambient conditions due to kinetic inhibition. The goal of this study was to test the impact of pH cycling and zinc ions on the formation of magnesium-rich carbonates in saline fluids at a low temperature. Batch reactor experiments were conducted in two series of pH cycling experiments, one without and one with zinc ions, at 43 °C. The results after 36 diel pH cycles indicate a reaction product assemblage of hydromagnesite, aragonite and magnesite in the experiments without zinc ions, and of magnesite and minor aragonite in the experiments with zinc ions. The presence of zinc ions leads to a decrease in the pH in the acid phase of the cycling experiments, which likely plays a role in the reaction product assemblage. Moreover, the hydration enthalpy and other specific ion effects could be additional factors in the formation of magnesium-rich carbonate. The results show a clear evolution towards increasing incorporation of magnesium in the carbonate phase with cycle number, especially in the experiments with zinc ions, reflecting a ripening process that is enhanced by pH cycling. Hence, repeated pH cycling did not lead to more ordered dolomite (from protodolomite), but rather to the formation of magnesite with 92 mol% MgCO3 after 36 cycles, even though geochemical models indicate a higher saturation index for dolomite than for magnesite.

2021 ◽  
Vol 11 (13) ◽  
pp. 5879
Suu-Yan Liang ◽  
Wen-Sheng Lin ◽  
Chan-Po Chen ◽  
Chen-Wuing Liu ◽  
Chihhao Fan

Radionuclides are inorganic substances, and the solubility of inorganic substances is a major factor affecting the disposal of radioactive waste and the release of concentrations of radionuclides. The degree of solubility determines whether a nuclide source migrates to the far field of a radioactive waste disposal site. Therefore, the most effective method for retarding radionuclide migration is to reduce the radionuclide solubility in the aqueous geochemical environment of subsurface systems. In order to assess the performance of disposal facilities, thermodynamic data regarding nuclides in water–rock systems and minerals in geochemical environments are required; the results obtained from the analysis of these data can provide a strong scientific basis for maintaining safety performance to support nuclear waste management. The pH, Eh and time ranges in the environments of disposal sites cannot be controlled, in contrast to those under experimental conditions in laboratories. Using a hypothetical error mechanism for the safety assessment of disposal sites may engender incorrect assessment results. Studies have focused on radionuclide reactions in waste disposal, and have offered evidence suggesting that these reactions are mainly affected by the geochemical environment. However, studies have not examined the thermodynamics of chemical reactions or interactions between water and minerals, such as the surface complexation and adsorption of various nuclide-ion species. Simple coefficient models have usually been applied in order to obtain empirical formulas for deriving Kd to describe nuclide distributions in the solid or liquid phase in water–rock geochemical systems. Accordingly, this study reviewed previous research on the applications of geochemical models, including studies on the development of geochemical models, sources of thermodynamic databases (TDBs) and their applications in programs, the determination of the adequacy of TDBs in surface complexation models and case studies, and the selection and application of activity coefficient equations in geochemical models. In addition, the study conducted case studies and comparisons of the activity coefficients derived by different geochemical models. Three activity coefficient equations, namely the Davies, modified Debye–Hückel, and Pitzer equations, and four geochemical models, namely PHREEQC, MINEQL+, MINTEQA2, and EQ3/6, were used in the study. The results demonstrated that when the solution’s ionic strength was <0.5 m, the differences in the activity coefficients between the Davies and modified Debye–Hückel equations were <5%. The difference between the Pitzer and Davies equations, or between the Pitzer and modified Debye–Hückel equations in terms of the calculated activity coefficients was <8%. The effect of temperature on the activity coefficient slightly influenced the modeling outputs of the Davies and modified Debye–Hückel equations. In the future, the probability distribution and uncertainty of parameters of Kd and the equilibrium constant can be used in geochemical and reactive transport models to simulate the long-term safety of nuclear waste disposal sites. The findings of this study can provide a strong scientific basis for conducting safety assessments of nuclear waste disposal repositories and developing environmental management or remediation schemes to control sites marred by near-surface contamination.

2021 ◽  
Vol 15 (3) ◽  
pp. 1627-1644
Andrea J. Pain ◽  
Jonathan B. Martin ◽  
Ellen E. Martin ◽  
Åsa K. Rennermalm ◽  
Shaily Rahman

Abstract. Accelerated melting of the Greenland Ice Sheet has increased freshwater delivery to the Arctic Ocean and amplified the need to understand the impact of Greenland Ice Sheet meltwater on Arctic greenhouse gas budgets. We evaluate subglacial discharge from the Greenland Ice Sheet for carbon dioxide (CO2) and methane (CH4) concentrations and δ13C values and use geochemical models to evaluate subglacial CH4 and CO2 sources and sinks. We compare discharge from southwest (a sub-catchment of the Isunnguata Glacier, sub-Isunnguata, and the Russell Glacier) and southern Greenland (Kiattut Sermiat). Meltwater CH4 concentrations vary by orders of magnitude between sites and are saturated with respect to atmospheric concentrations at Kiattut Sermiat. In contrast, meltwaters from southwest sites are supersaturated, even though oxidation reduces CH4 concentrations by up to 50 % during periods of low discharge. CO2 concentrations range from supersaturated at sub-Isunnguata to undersaturated at Kiattut Sermiat. CO2 is consumed by mineral weathering throughout the melt season at all sites; however, differences in the magnitude of subglacial CO2 sources result in meltwaters that are either sources or sinks of atmospheric CO2. At the sub-Isunnguata site, the predominant source of CO2 is organic matter (OM) remineralization. However, multiple or heterogeneous subglacial CO2 sources maintain atmospheric CO2 concentrations at Russell but not at Kiattut Sermiat, where CO2 is undersaturated. These results highlight a previously unrecognized degree of heterogeneity in greenhouse gas dynamics under the Greenland Ice Sheet. Future work should constrain the extent and controls of heterogeneity to improve our understanding of the impact of Greenland Ice Sheet melt on Arctic greenhouse gas budgets, as well as the role of continental ice sheets in greenhouse gas variations over glacial–interglacial timescales.

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