Establishing nursery estuary otolith geochemical tags for Sea Bass (Dicentrarchus labrax): Is temporal stability estuary dependent?

NASA Astrophysics Data System (ADS)

Ryan, Diarmuid; Wögerbauer, Ciara; Roche, William

2016-12-01

The ability to determine connectivity between juveniles in nursery estuaries and adult populations is an important tool for fisheries management. Otoliths of juvenile fish contain geochemical tags, which reflect the variation in estuarine elemental chemistry, and allow discrimination of their natal and/or nursery estuaries. These tags can be used to investigate connectivity patterns between juveniles and adults. However, inter-annual variability of geochemical tags may limit the accuracy of nursery origin determinations. Otolith elemental composition was used to assign a single cohort of 0-group sea bass Dicentrarchus labrax to their nursery estuary thus establishing an initial baseline for stocks in waters around Ireland. Using a standard LDFA model, high classification accuracies to nursery sites (80-88%) were obtained. Temporal stability of otolith geochemical tags was also investigated to assess if annual sampling is required for connectivity studies. Geochemical tag stability was found to be strongly estuary dependent.

Produced water re-injection in a non-fresh water aquifer with geochemical reaction, hydrodynamic molecular dispersion and adsorption kinetics controlling: model development and numerical simulation

NASA Astrophysics Data System (ADS)

Obe, Ibidapo; Fashanu, T. A.; Idialu, Peter O.; Akintola, Tope O.; Abhulimen, Kingsley E.

2017-06-01

An improved produced water reinjection (PWRI) model that incorporates filtration, geochemical reaction, molecular transport, and mass adsorption kinetics was developed to predict cake deposition and injectivity performance in hydrocarbon aquifers in Nigeria oil fields. Thus, the improved PWRI model considered contributions of geochemical reaction, adsorption kinetics, and hydrodynamic molecular dispersion mechanism to alter the injectivity and deposition of suspended solids on aquifer wall resulting in cake formation in pores during PWRI and transport of active constituents in hydrocarbon reservoirs. The injectivity decline and cake deposition for specific case studies of hydrocarbon aquifers in Nigeria oil fields were characterized with respect to its well geometry, lithology, and calibrations data and simulated in COMSOL multiphysics software environment. The PWRI model was validated by comparisons to assessments of previous field studies based on data and results supplied by operator and regulator. The results of simulation showed that PWRI performance was altered because of temporal variations and declinations of permeability, injectivity, and cake precipitation, which were observed to be dependent on active adsorption and geochemical reaction kinetics coupled with filtration scheme and molecular dispersion. From the observed results and findings, transition time t r to cake nucleation and growth were dependent on aquifer constituents, well capacity, filtration coefficients, particle-to-grain size ratio, water quality, and more importantly, particle-to-grain adsorption kinetics. Thus, the results showed that injectivity decline and permeability damage were direct contributions of geochemical reaction, hydrodynamic molecular diffusion, and adsorption kinetics to the internal filtration mechanism, which are largely dependent on the initial conditions of concentration of active constituents of produced water and aquifer capacity.

Lead Isotope Compositions of Acid Residues from Olivine-Phyric Shergottite Tissint: Implications for Heterogeneous Shergottite Source Reservoirs

NASA Technical Reports Server (NTRS)

Moriwaki, R.; Usui, T.; Yokoyama, T.; Simon, J. I.; Jones, J. H.

2015-01-01

Geochemical studies of shergottites suggest that their parental magmas reflect mixtures between at least two distinct geochemical source reservoirs, producing correlations between radiogenic isotope compositions and trace element abundances. These correlations have been interpreted as indicating the presence of a reduced, incompatible element- depleted reservoir and an oxidized, incompatible- element-enriched reservoir. The former is clearly a depleted mantle source, but there is ongoing debate regarding the origin of the enriched reservoir. Two contrasting models have been proposed regarding the location and mixing process of the two geochemical source reservoirs: (1) assimilation of oxidized crust by mantle derived, reduced magmas, or (2) mixing of two distinct mantle reservoirs during melting. The former requires the ancient Martian crust to be the enriched source (crustal assimilation), whereas the latter requires isolation of a long-lived enriched mantle domain that probably originated from residual melts formed during solidification of a magma ocean (heterogeneous mantle model). This study conducts Pb isotope and trace element concentration analyses of sequential acid-leaching fractions (leachates and the final residues) from the geochemically depleted olivine-phyric shergottite Tissint. The results suggest that the Tissint magma is not isotopically uniform and sampled at least two geochemical source reservoirs, implying that either crustal assimilation or magma mixing would have played a role in the Tissint petrogenesis.

Contaminant source identification using semi-supervised machine learning

NASA Astrophysics Data System (ADS)

Vesselinov, Velimir V.; Alexandrov, Boian S.; O'Malley, Daniel

2018-05-01

Identification of the original groundwater types present in geochemical mixtures observed in an aquifer is a challenging but very important task. Frequently, some of the groundwater types are related to different infiltration and/or contamination sources associated with various geochemical signatures and origins. The characterization of groundwater mixing processes typically requires solving complex inverse models representing groundwater flow and geochemical transport in the aquifer, where the inverse analysis accounts for available site data. Usually, the model is calibrated against the available data characterizing the spatial and temporal distribution of the observed geochemical types. Numerous different geochemical constituents and processes may need to be simulated in these models which further complicates the analyses. In this paper, we propose a new contaminant source identification approach that performs decomposition of the observation mixtures based on Non-negative Matrix Factorization (NMF) method for Blind Source Separation (BSS), coupled with a custom semi-supervised clustering algorithm. Our methodology, called NMFk, is capable of identifying (a) the unknown number of groundwater types and (b) the original geochemical concentration of the contaminant sources from measured geochemical mixtures with unknown mixing ratios without any additional site information. NMFk is tested on synthetic and real-world site data. The NMFk algorithm works with geochemical data represented in the form of concentrations, ratios (of two constituents; for example, isotope ratios), and delta notations (standard normalized stable isotope ratios).

Contaminant source identification using semi-supervised machine learning

DOE PAGES

Vesselinov, Velimir Valentinov; Alexandrov, Boian S.; O’Malley, Dan

2017-11-08

Identification of the original groundwater types present in geochemical mixtures observed in an aquifer is a challenging but very important task. Frequently, some of the groundwater types are related to different infiltration and/or contamination sources associated with various geochemical signatures and origins. The characterization of groundwater mixing processes typically requires solving complex inverse models representing groundwater flow and geochemical transport in the aquifer, where the inverse analysis accounts for available site data. Usually, the model is calibrated against the available data characterizing the spatial and temporal distribution of the observed geochemical types. Numerous different geochemical constituents and processes may needmore » to be simulated in these models which further complicates the analyses. In this paper, we propose a new contaminant source identification approach that performs decomposition of the observation mixtures based on Non-negative Matrix Factorization (NMF) method for Blind Source Separation (BSS), coupled with a custom semi-supervised clustering algorithm. Our methodology, called NMFk, is capable of identifying (a) the unknown number of groundwater types and (b) the original geochemical concentration of the contaminant sources from measured geochemical mixtures with unknown mixing ratios without any additional site information. NMFk is tested on synthetic and real-world site data. Finally, the NMFk algorithm works with geochemical data represented in the form of concentrations, ratios (of two constituents; for example, isotope ratios), and delta notations (standard normalized stable isotope ratios).« less

Contaminant source identification using semi-supervised machine learning

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vesselinov, Velimir Valentinov; Alexandrov, Boian S.; O’Malley, Dan

Identification of the original groundwater types present in geochemical mixtures observed in an aquifer is a challenging but very important task. Frequently, some of the groundwater types are related to different infiltration and/or contamination sources associated with various geochemical signatures and origins. The characterization of groundwater mixing processes typically requires solving complex inverse models representing groundwater flow and geochemical transport in the aquifer, where the inverse analysis accounts for available site data. Usually, the model is calibrated against the available data characterizing the spatial and temporal distribution of the observed geochemical types. Numerous different geochemical constituents and processes may needmore » to be simulated in these models which further complicates the analyses. In this paper, we propose a new contaminant source identification approach that performs decomposition of the observation mixtures based on Non-negative Matrix Factorization (NMF) method for Blind Source Separation (BSS), coupled with a custom semi-supervised clustering algorithm. Our methodology, called NMFk, is capable of identifying (a) the unknown number of groundwater types and (b) the original geochemical concentration of the contaminant sources from measured geochemical mixtures with unknown mixing ratios without any additional site information. NMFk is tested on synthetic and real-world site data. Finally, the NMFk algorithm works with geochemical data represented in the form of concentrations, ratios (of two constituents; for example, isotope ratios), and delta notations (standard normalized stable isotope ratios).« less

Singularity analysis based on wavelet transform of fractal measures for identifying geochemical anomaly in mineral exploration

NASA Astrophysics Data System (ADS)

Chen, Guoxiong; Cheng, Qiuming

2016-02-01

Multi-resolution and scale-invariance have been increasingly recognized as two closely related intrinsic properties endowed in geofields such as geochemical and geophysical anomalies, and they are commonly investigated by using multiscale- and scaling-analysis methods. In this paper, the wavelet-based multiscale decomposition (WMD) method was proposed to investigate the multiscale natures of geochemical pattern from large scale to small scale. In the light of the wavelet transformation of fractal measures, we demonstrated that the wavelet approximation operator provides a generalization of box-counting method for scaling analysis of geochemical patterns. Specifically, the approximation coefficient acts as the generalized density-value in density-area fractal modeling of singular geochemical distributions. Accordingly, we presented a novel local singularity analysis (LSA) using the WMD algorithm which extends the conventional moving averaging to a kernel-based operator for implementing LSA. Finally, the novel LSA was validated using a case study dealing with geochemical data (Fe2O3) in stream sediments for mineral exploration in Inner Mongolia, China. In comparison with the LSA implemented using the moving averaging method the novel LSA using WMD identified improved weak geochemical anomalies associated with mineralization in covered area.

Mineral dissolution and precipitation during CO 2 injection at the Frio-I Brine Pilot: Geochemical modeling and uncertainty analysis

DOE PAGES

Ilgen, A. G.; Cygan, R. T.

2015-12-07

During the Frio-I Brine Pilot CO 2 injection experiment in 2004, distinct geochemical changes in response to the injection of 1600 tons of CO 2 were recorded in samples collected from the monitoring well. Previous geochemical modeling studies have considered dissolution of calcite and iron oxyhydroxides, or release of adsorbed iron, as the most likely sources of the increased ion concentrations. We explore in this modeling study possible alternative sources of the increasing calcium and iron, based on the data from the detailed petrographic characterization of the Upper Frio Formation “C”. Particularly, we evaluate whether dissolution of pyrite andmore » oligoclase (anorthite component) can account for the observed geochemical changes. Due to kinetic limitations, dissolution of pyrite and anorthite cannot account for the increased iron and calcium concentrations on the time scale of the field test (10 days). However, dissolution of these minerals is contributing to carbonate and clay mineral precipitation on the longer time scales (1000 years). The one-dimensional reactive transport model predicts carbonate minerals, dolomite and ankerite, as well as clay minerals kaolinite, nontronite and montmorillonite, will precipitate in the Frio Formation “C” sandstone as the system progresses towards chemical equilibrium during a 1000-year period. Cumulative uncertainties associated with using different thermodynamic databases, activity correction models (Pitzer vs. B-dot), and extrapolating to reservoir temperature, are manifested in the difference in the predicted mineral phases. Furthermore, these models are consistent with regards to the total volume of mineral precipitation and porosity values which are predicted to within 0.002%.« less

A modified procedure for mixture-model clustering of regional geochemical data

USGS Publications Warehouse

Ellefsen, Karl J.; Smith, David B.; Horton, John D.

2014-01-01

A modified procedure is proposed for mixture-model clustering of regional-scale geochemical data. The key modification is the robust principal component transformation of the isometric log-ratio transforms of the element concentrations. This principal component transformation and the associated dimension reduction are applied before the data are clustered. The principal advantage of this modification is that it significantly improves the stability of the clustering. The principal disadvantage is that it requires subjective selection of the number of clusters and the number of principal components. To evaluate the efficacy of this modified procedure, it is applied to soil geochemical data that comprise 959 samples from the state of Colorado (USA) for which the concentrations of 44 elements are measured. The distributions of element concentrations that are derived from the mixture model and from the field samples are similar, indicating that the mixture model is a suitable representation of the transformed geochemical data. Each cluster and the associated distributions of the element concentrations are related to specific geologic and anthropogenic features. In this way, mixture model clustering facilitates interpretation of the regional geochemical data.

Long-term climate change and the geochemical cycle of carbon

NASA Technical Reports Server (NTRS)

Marshall, Hal G.; Walker, James C. G.; Kuhn, William R.

1988-01-01

The response of the coupled climate-geochemical system to changes in paleography is examined in terms of the biogeochemical carbon cycle. The simple, zonally averaged energy balance climate model combined with a geochemical carbon cycle model, which was developed to study climate changes, is described. The effects of latitudinal distributions of the continents on the carbon cycle are investigated, and the global silicate weathering rate as a function of latitude is measured. It is observed that a concentration of land area at high altitudes results in a high CO2 partial pressure and a high global average temperature, and for land at low latitudes a cold globe and ice are detected. It is noted that the CO2 greenhouse feedback effect is potentially strong and has a stabilizing effect on the climate system.

Geophysical monitoring and reactive transport modeling of ureolytically-driven calcium carbonate precipitation

PubMed Central

2011-01-01

Ureolytically-driven calcium carbonate precipitation is the basis for a promising in-situ remediation method for sequestration of divalent radionuclide and trace metal ions. It has also been proposed for use in geotechnical engineering for soil strengthening applications. Monitoring the occurrence, spatial distribution, and temporal evolution of calcium carbonate precipitation in the subsurface is critical for evaluating the performance of this technology and for developing the predictive models needed for engineering application. In this study, we conducted laboratory column experiments using natural sediment and groundwater to evaluate the utility of geophysical (complex resistivity and seismic) sensing methods, dynamic synchrotron x-ray computed tomography (micro-CT), and reactive transport modeling for tracking ureolytically-driven calcium carbonate precipitation processes under site relevant conditions. Reactive transport modeling with TOUGHREACT successfully simulated the changes of the major chemical components during urea hydrolysis. Even at the relatively low level of urea hydrolysis observed in the experiments, the simulations predicted an enhanced calcium carbonate precipitation rate that was 3-4 times greater than the baseline level. Reactive transport modeling results, geophysical monitoring data and micro-CT imaging correlated well with reaction processes validated by geochemical data. In particular, increases in ionic strength of the pore fluid during urea hydrolysis predicted by geochemical modeling were successfully captured by electrical conductivity measurements and confirmed by geochemical data. The low level of urea hydrolysis and calcium carbonate precipitation suggested by the model and geochemical data was corroborated by minor changes in seismic P-wave velocity measurements and micro-CT imaging; the latter provided direct evidence of sparsely distributed calcium carbonate precipitation. Ion exchange processes promoted through NH4+ production during urea hydrolysis were incorporated in the model and captured critical changes in the major metal species. The electrical phase increases were potentially due to ion exchange processes that modified charge structure at mineral/water interfaces. Our study revealed the potential of geophysical monitoring for geochemical changes during urea hydrolysis and the advantages of combining multiple approaches to understand complex biogeochemical processes in the subsurface. PMID:21943229

Modeling background radiation using geochemical data: A case study in and around Cameron, Arizona.

PubMed

Marsac, Kara E; Burnley, Pamela C; Adcock, Christopher T; Haber, Daniel A; Malchow, Russell L; Hausrath, Elisabeth M

2016-12-01

This study compares high resolution forward models of natural gamma-ray background with that measured by high resolution aerial gamma-ray surveys. The ability to predict variations in natural background radiation levels should prove useful for those engaged in measuring anthropogenic contributions to background radiation for the purpose of emergency response and homeland security operations. The forward models are based on geologic maps and remote sensing multi-spectral imagery combined with two different sources of data: 1) bedrock geochemical data (uranium, potassium and thorium concentrations) collected from national databases, the scientific literature and private companies, and 2) the low spatial resolution NURE (National Uranium Resource Evaluation) aerial gamma-ray survey. The study area near Cameron, Arizona, is located in an arid region with minimal vegetation and, due to the presence of abandoned uranium mines, was the subject of a previous high resolution gamma-ray survey. We found that, in general, geologic map units form a good basis for predicting the geographic distribution of the gamma-ray background. Predictions of background gamma-radiation levels based on bedrock geochemical analyses were not as successful as those based on the NURE aerial survey data sorted by geologic unit. The less successful result of the bedrock geochemical model is most likely due to a number of factors including the need to take into account the evolution of soil geochemistry during chemical weathering and the influence of aeolian addition. Refinements to the forward models were made using ASTER visualizations to create subunits of similar exposure rate within the Chinle Formation, which contains multiple lithologies and by grouping alluvial units by drainage basin rather than age. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

Modeling background radiation using geochemical data: A case study in and around Cameron, Arizona

DOE Office of Scientific and Technical Information (OSTI.GOV)

Marsac, Kara E.; Burnley, Pamela C.; Adcock, Christopher T.

Here, this study compares high-resolution forward models of natural gamma-ray background with that measured by high resolution aerial gamma-ray surveys. The ability to predict variations in natural background radiation levels should prove useful for those engaged in measuring anthropogenic contributions to background radiation for the purpose of emergency response and homeland security operations. The forward models are based on geologic maps and remote sensing multi-spectral imagery combined with two different sources of data: 1) bedrock geochemical data (uranium, potassium and thorium concentrations) collected from national databases, the scientific literature and private companies, and 2) the low spatial resolution NURE (Nationalmore » Uranium Resource Evaluation) aerial gamma-ray survey. The study area near Cameron, Arizona, is located in an arid region with minimal vegetation and, due to the presence of abandoned uranium mines, was the subject of a previous high resolution gamma-ray survey. We found that, in general, geologic map units form a good basis for predicting the geographic distribution of the gamma-ray background. Predictions of background gamma-radiation levels based on bedrock geochemical analyses were not as successful as those based on the NURE aerial survey data sorted by geologic unit. The less successful result of the bedrock geochemical model is most likely due to a number of factors including the need to take into account the evolution of soil geochemistry during chemical weathering and the influence of aeolian addition. Refinements to the forward models were made using ASTER visualizations to create subunits of similar exposure rate within the Chinle Formation, which contains multiple lithologies and by grouping alluvial units by drainage basin rather than age.« less

Modeling background radiation using geochemical data: A case study in and around Cameron, Arizona

DOE PAGES

Marsac, Kara E.; Burnley, Pamela C.; Adcock, Christopher T.; ...

2016-09-16

Here, this study compares high-resolution forward models of natural gamma-ray background with that measured by high resolution aerial gamma-ray surveys. The ability to predict variations in natural background radiation levels should prove useful for those engaged in measuring anthropogenic contributions to background radiation for the purpose of emergency response and homeland security operations. The forward models are based on geologic maps and remote sensing multi-spectral imagery combined with two different sources of data: 1) bedrock geochemical data (uranium, potassium and thorium concentrations) collected from national databases, the scientific literature and private companies, and 2) the low spatial resolution NURE (Nationalmore » Uranium Resource Evaluation) aerial gamma-ray survey. The study area near Cameron, Arizona, is located in an arid region with minimal vegetation and, due to the presence of abandoned uranium mines, was the subject of a previous high resolution gamma-ray survey. We found that, in general, geologic map units form a good basis for predicting the geographic distribution of the gamma-ray background. Predictions of background gamma-radiation levels based on bedrock geochemical analyses were not as successful as those based on the NURE aerial survey data sorted by geologic unit. The less successful result of the bedrock geochemical model is most likely due to a number of factors including the need to take into account the evolution of soil geochemistry during chemical weathering and the influence of aeolian addition. Refinements to the forward models were made using ASTER visualizations to create subunits of similar exposure rate within the Chinle Formation, which contains multiple lithologies and by grouping alluvial units by drainage basin rather than age.« less

Uncertainty quantification and experimental design based on unsupervised machine learning identification of contaminant sources and groundwater types using hydrogeochemical data

NASA Astrophysics Data System (ADS)

Vesselinov, V. V.

2017-12-01

Identification of the original groundwater types present in geochemical mixtures observed in an aquifer is a challenging but very important task. Frequently, some of the groundwater types are related to different infiltration and/or contamination sources associated with various geochemical signatures and origins. The characterization of groundwater mixing processes typically requires solving complex inverse models representing groundwater flow and geochemical transport in the aquifer, where the inverse analysis accounts for available site data. Usually, the model is calibrated against the available data characterizing the spatial and temporal distribution of the observed geochemical species. Numerous geochemical constituents and processes may need to be simulated in these models which further complicates the analyses. As a result, these types of model analyses are typically extremely challenging. Here, we demonstrate a new contaminant source identification approach that performs decomposition of the observation mixtures based on Nonnegative Matrix Factorization (NMF) method for Blind Source Separation (BSS), coupled with a custom semi-supervised clustering algorithm. Our methodology, called NMFk, is capable of identifying (a) the number of groundwater types and (b) the original geochemical concentration of the contaminant sources from measured geochemical mixtures with unknown mixing ratios without any additional site information. We also demonstrate how NMFk can be extended to perform uncertainty quantification and experimental design related to real-world site characterization. The NMFk algorithm works with geochemical data represented in the form of concentrations, ratios (of two constituents; for example, isotope ratios), and delta notations (standard normalized stable isotope ratios). The NMFk algorithm has been extensively tested on synthetic datasets; NMFk analyses have been actively performed on real-world data collected at the Los Alamos National Laboratory (LANL) groundwater sites related to Chromium and RDX contamination.

Strontium Isotopes and the Reconstruction of the Chaco Regional System: Evaluating Uncertainty with Bayesian Mixing Models

PubMed Central

Drake, Brandon Lee; Wills, Wirt H.; Hamilton, Marian I.; Dorshow, Wetherbee

2014-01-01

Strontium isotope sourcing has become a common and useful method for assigning sources to archaeological artifacts. In Chaco Canyon, an Ancestral Pueblo regional center in New Mexico, previous studies using these methods have suggested that significant portion of maize and wood originate in the Chuska Mountains region, 75 km to the East. In the present manuscript, these results were tested using both frequentist methods (to determine if geochemical sources can truly be differentiated) and Bayesian methods (to address uncertainty in geochemical source attribution). It was found that Chaco Canyon and the Chuska Mountain region are not easily distinguishable based on radiogenic strontium isotope values. The strontium profiles of many geochemical sources in the region overlap, making it difficult to definitively identify any one particular geochemical source for the canyon's pre-historic maize. Bayesian mixing models support the argument that some spruce and fir wood originated in the San Mateo Mountains, but that this cannot explain all 87Sr/86Sr values in Chaco timber. Overall radiogenic strontium isotope data do not clearly identify a single major geochemical source for maize, ponderosa, and most spruce/fir timber. As such, the degree to which Chaco Canyon relied upon outside support for both food and construction material is still ambiguous. PMID:24854352

Lead Isotopes in Olivine-Phyric Shergottite Tissint: Implications for the Geochemical Evolution of the Shergottite Source Mantle

NASA Technical Reports Server (NTRS)

Moriwaki, R.; Usui, T.; Simon, J. I.; Jones, J. H.; Yokoyama, T.

2015-01-01

Geochemically-depleted shergottites are basaltic rocks derived from a martian mantle source reservoir. Geochemical evolution of the martian mantle has been investigated mainly based on the Rb-Sr, Sm-Nd, and Lu-Hf isotope systematics of the shergottites [1]. Although potentially informative, U-Th- Pb isotope systematics have been limited because of difficulties in interpreting the analyses of depleted meteorite samples that are more susceptible to the effects of near-surface processes and terrestrial contamination. This study conducts a 5-step sequential acid leaching experiment of the first witnessed fall of the geochemically-depleted olivinephyric shergottite Tissint to minimize the effect of low temperature distrubence. Trace element analyses of the Tissint acid residue (mostly pyroxene) indicate that Pb isotope compositions of the residue do not contain either a martian surface or terrestrial component, but represent the Tissint magma source [2]. The residue has relatively unradiogenic initial Pb isotopic compositions (e.g., 206Pb/204Pb = 10.8136) that fall within the Pb isotope space of other geochemically-depleted shergottites. An initial µ-value (238U/204Pb = 1.5) of Tissint at the time of crystallization (472 Ma [3]) is similar to a time-integrated mu- value (1.72 at 472 Ma) of the Tissint source mantle calculated based on the two-stage mantle evolution model [1]. On the other hand, the other geochemically-depleted shergottites (e.g., QUE 94201 [4]) have initial µ-values of their parental magmas distinctly lower than those of their modeled source mantle. These results suggest that only Tissint potentially reflects the geochemical signature of the shergottite mantle source that originated from cumulates of the martian magma ocean

MODELING MONOMETHYLMERCURY AND TRIBUTYLTIN SPECIATION WITH EPA'S GEOCHEMICAL SPECIATION MODEL MINTEQA2

EPA Science Inventory

Given the complexity of the various, simultaneous (and competing) equilibrium reactions governing the speciation of ionic species in aquatic systems, EPA has developed and distributed the geochemical speciation model MINTEQA2 (Brown and Allison, 1987, Allison et al., 1991; Hydrog...

Geochemical study of groundwater at Sandia National Laboratories/New Mexico and Kirtland Air Force Base

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

The U.S. Department of Energy (DOE) Grand Junction Projects Office (GJPO) and its contractor, Rust Geotech, support the Kirtland Area Office by assisting Sandia National Laboratories/New Mexico (Sandia/NM) with remedial action, remedial design, and technical support of its Environmental Restoration Program. To aid in determining groundwater origins and flow paths, the GJPO was tasked to provide interpretation of groundwater geochemical data. The purpose of this investigation was to describe and analyze the groundwater geochemistry of the Sandia/NM Kirtland Air Force Base (KAFB). Interpretations of groundwater origins are made by using these data and the results of {open_quotes}mass balance{close_quotes} and {open_quotes}reactionmore » path{close_quote} modeling. Additional maps and plots were compiled to more fully comprehend the geochemical distributions. A more complete set of these data representations are provided in the appendices. Previous interpretations of groundwater-flow paths that were based on well-head, geologic, and geochemical data are presented in various reports and were used as the basis for developing the models presented in this investigation.« less

Porosity Development in a Coastal Setting: A Reactive Transport Model to Assess the Influence of Heterogeneity of Hydrological, Geochemical and Lithological Conditions

NASA Astrophysics Data System (ADS)

Maqueda, A.; Renard, P.; Cornaton, F. J.

2014-12-01

Coastal karst networks are formed by mineral dissolution, mainly calcite, in the freshwater-saltwater mixing zone. The problem has been approached first by studying the kinetics of calcite dissolution and then coupling ion-pairing software with flow and mass transport models. Porosity development models require high computational power. A workaround to reduce computational complexity is to assume the calcite dissolution reaction is relatively fast, thus equilibrium chemistry can be used to model it (Sanford & Konikow, 1989). Later developments allowed the full coupling of kinetics and transport in a model. However kinetics effects of calcite dissolution were found negligible under the single set of assumed hydrological and geochemical boundary conditions. A model is implemented with the coupling of FeFlow software as the flow & transport module and PHREEQC4FEFLOW (Wissmeier, 2013) ion-pairing module. The model is used to assess the influence of heterogeneities in hydrological, geochemical and lithological boundary conditions on porosity evolution. The hydrologic conditions present in the karst aquifer of Quintana Roo coast in Mexico are used as a guide for generating inputs for simulations.

GEOCHEMICAL MODELING OF ARSENIC SPECIATION AND MOBILIZATION: IMPLICATIONS FOR BIOREMEDIATION

EPA Science Inventory

Geochemical modeling techniques were used to examine the biogeochemical linkages between Fe, S, and As in shallow alluvial aquifers. We modeled: 1) the adsorption and desorption of As on the surface of hydrous ferric oxides (HFO’s) in stream beds under aerobic conditions; 2) red...

Experimental Study of Cement - Sandstone/Shale - Brine - CO2 Interactions

PubMed Central

2011-01-01

Background Reactive-transport simulation is a tool that is being used to estimate long-term trapping of CO2, and wellbore and cap rock integrity for geologic CO2 storage. We reacted end member components of a heterolithic sandstone and shale unit that forms the upper section of the In Salah Gas Project carbon storage reservoir in Krechba, Algeria with supercritical CO2, brine, and with/without cement at reservoir conditions to develop experimentally constrained geochemical models for use in reactive transport simulations. Results We observe marked changes in solution composition when CO2 reacted with cement, sandstone, and shale components at reservoir conditions. The geochemical model for the reaction of sandstone and shale with CO2 and brine is a simple one in which albite, chlorite, illite and carbonate minerals partially dissolve and boehmite, smectite, and amorphous silica precipitate. The geochemical model for the wellbore environment is also fairly simple, in which alkaline cements and rock react with CO2-rich brines to form an Fe containing calcite, amorphous silica, smectite and boehmite or amorphous Al(OH)3. Conclusions Our research shows that relatively simple geochemical models can describe the dominant reactions that are likely to occur when CO2 is stored in deep saline aquifers sealed with overlying shale cap rocks, as well as the dominant reactions for cement carbonation at the wellbore interface. PMID:22078161

Advances in the hydrogeochemistry and microbiology of acid mine waters

USGS Publications Warehouse

Nordstrom, D. Kirk

2000-01-01

The last decade has witnessed a plethora of research related to the hydrogeochemistry and microbiology of acid mine waters and associated tailings and waste-rock waters. Numerous books, reviews, technical papers, and proceedings have been published that examine the complex bio-geochemical process of sulfide mineral oxidation, develop and apply geochemical models to site characterization, and characterize the microbial ecology of these environments. This review summarizes many of these recent works, and provides references for those investigating this field. Comparisons of measured versus calculated Eh and measured versus calculated pH for water samples from several field sites demonstrate the reliability of some current geochemical models for aqueous speciation and mass balances. Geochemical models are not, however, used to predict accurately time-dependent processes but to improve our understanding of these systems and to constrain possible processes that contribute to actual or potential water quality issues. Microbiological studies are demonstrating that there is much we have yet to learn about the types of different microorganisms and their function and ecology in mine-waste environments. A broad diversity of green algae, bacteria, archaea, yeasts, and fungi are encountered in acid mine waters, and a better understanding of their ecology and function may potentially enhance remediation possibilities as well as our understanding of the evolution of life.

Chemical modeling constraints on Martian surface mineralogies formed in an early, warm, wet climate, and speculations on the occurrence of phosphate minerals in the Martian regolith

NASA Technical Reports Server (NTRS)

Plumlee, Geoffrey S.; Ridley, W. Ian; Debraal, Jeffrey D.

1992-01-01

This is one in a series of reports summarizing our chemical modeling studies of water-rock-gas interactions at the martian surface through time. The purpose of these studies is to place constraints on possible mineralogies formed at the martian surface and to model the geochemical implications of martian surficial processes proposed by previous researchers. Plumlee and Ridley summarize geochemical processes that may have occurred as a result of inferred volcano- and impact-driven hydrothermal activity on Mars. DeBraal et al. model the geochemical aspects of water-rock interactions and water evaporation near 0 C, as a prelude to future calculations that will model sub-0 C brine-rock-clathrate interactions under the current martian climate. In this report, we discuss reaction path calculations that model chemical processes that may have occurred at the martian surface in a postulated early, warm, wet climate. We assume a temperature of 25 C in all our calculations. Processes we model here include (1) the reaction of rainwater under various ambient CO2 and O2 pressures with basaltic rocks at the martian surface, (2) the formation of acid rain by volcanic gases such as HCl and SO2, (3) the reactions of acid rain with basaltic surficial materials, and (4) evaporation of waters resulting from rainwater-basalt interactions.

Hydrological and geochemical processes constraining groundwater salinity in wetland areas related to evaporitic (karst) systems. A case study from Southern Spain

NASA Astrophysics Data System (ADS)

Gil-Márquez, J. M.; Barberá, J. A.; Andreo, B.; Mudarra, M.

2017-01-01

Chemical and isotopic evolution of groundwater in an evaporite karst plateau (including wetland areas and saline to hyper-saline springs) located at S Spain was studied. Physicochemical parameters, major ions and stable isotopes were analyzed in rain, brine spring, wetland and leakage water samples, from which the most common mineral saturation indexes were computed and geochemical and isotopic modelling were performed. Results show an apparent relationship between the elevation of brine springs and their water mineralization, indicating that drainage at higher altitude may be associated to gravity-driven flows, since brackish groundwater is isotopically fractionated due to evaporation. On the other hand, the lower altitude springs could drain deeper flows with longer residence time, resulting in highly mineralized and warmer (briny) groundwater. The dissolution of halite and gypsum has proved to be the main geochemical processes, which are favored by the great ionic strength of groundwater. Calcite precipitation occurs in brackish waters draining wetlands, being boosted by common ion effect (when CaSO4 waters are present) and solute concentration caused by evaporation. Modelling results strongly support the hypothesis that most of the selected springs geochemically evolve in a common (S-N) flowpath. The methods used in this research contribute to a better understanding of the hydrogeological processes occurring in the studied evaporitic system, but also in equivalent hydrological environments worldwide.

Adaptive Multiscale Modeling of Geochemical Impacts on Fracture Evolution

NASA Astrophysics Data System (ADS)

Molins, S.; Trebotich, D.; Steefel, C. I.; Deng, H.

2016-12-01

Understanding fracture evolution is essential for many subsurface energy applications, including subsurface storage, shale gas production, fracking, CO2 sequestration, and geothermal energy extraction. Geochemical processes in particular play a significant role in the evolution of fractures through dissolution-driven widening, fines migration, and/or fracture sealing due to precipitation. One obstacle to understanding and exploiting geochemical fracture evolution is that it is a multiscale process. However, current geochemical modeling of fractures cannot capture this multi-scale nature of geochemical and mechanical impacts on fracture evolution, and is limited to either a continuum or pore-scale representation. Conventional continuum-scale models treat fractures as preferential flow paths, with their permeability evolving as a function (often, a cubic law) of the fracture aperture. This approach has the limitation that it oversimplifies flow within the fracture in its omission of pore scale effects while also assuming well-mixed conditions. More recently, pore-scale models along with advanced characterization techniques have allowed for accurate simulations of flow and reactive transport within the pore space (Molins et al., 2014, 2015). However, these models, even with high performance computing, are currently limited in their ability to treat tractable domain sizes (Steefel et al., 2013). Thus, there is a critical need to develop an adaptive modeling capability that can account for separate properties and processes, emergent and otherwise, in the fracture and the rock matrix at different spatial scales. Here we present an adaptive modeling capability that treats geochemical impacts on fracture evolution within a single multiscale framework. Model development makes use of the high performance simulation capability, Chombo-Crunch, leveraged by high resolution characterization and experiments. The modeling framework is based on the adaptive capability in Chombo which not only enables mesh refinement, but also refinement of the model-pore scale or continuum Darcy scale-in a dynamic way such that the appropriate model is used only when and where it is needed. Explicit flux matching provides coupling betwen the scales.

Meeting models and mineralogy

NASA Astrophysics Data System (ADS)

Bridges, John C.

2018-03-01

A new geochemical study shows that short-lived warm and wet episodes during a globally cold early Mars could have formed the clay deposits detected on the Martian surface. This model can reconcile climate models with mineralogical and geomorphological evidence.

Solid phase studies and geochemical modelling of low-cost permeable reactive barriers.

PubMed

Bartzas, Georgios; Komnitsas, Kostas

2010-11-15

A continuous column experiment was carried out under dynamic flow conditions in order to study the efficiency of low-cost permeable reactive barriers (PRBs) to remove several inorganic contaminants from acidic solutions. A 50:50 w/w waste iron/sand mixture was used as candidate reactive media in order to activate precipitation and promote sorption and reduction-oxidation mechanisms. Solid phase studies of the exhausted reactive products after column shutdown, using scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD), confirmed that the principal Fe corrosion products identified in the reactive zone are amorphous iron (hydr)oxides (maghemite/magnetite and goethite), intermediate products (sulfate green rust), and amorphous metal sulfides such as amFeS and/or mackinawite. Geochemical modelling of the metal removal processes, including interactions between reactive media, heavy metal ions and sulfates, and interpretation of the ionic profiles was also carried out by using the speciation/mass transfer computer code PHREEQC-2 and the WATEQ4F database. Mineralogical characterization studies as well as geochemical modelling calculations also indicate that the effect of sulfate and silica sand on the efficiency of the reactive zone should be considered carefully during design and operation of low-cost field PRBs. Copyright © 2010 Elsevier B.V. All rights reserved.

A graphical method to evaluate predominant geochemical processes occurring in groundwater systems for radiocarbon dating

USGS Publications Warehouse

Han, Liang-Feng; Plummer, Niel; Aggarwal, Pradeep

2012-01-01

A graphical method is described for identifying geochemical reactions needed in the interpretation of radiocarbon age in groundwater systems. Graphs are constructed by plotting the measured 14C, δ13C, and concentration of dissolved inorganic carbon and are interpreted according to specific criteria to recognize water samples that are consistent with a wide range of processes, including geochemical reactions, carbon isotopic exchange, 14C decay, and mixing of waters. The graphs are used to provide a qualitative estimate of radiocarbon age, to deduce the hydrochemical complexity of a groundwater system, and to compare samples from different groundwater systems. Graphs of chemical and isotopic data from a series of previously-published groundwater studies are used to demonstrate the utility of the approach. Ultimately, the information derived from the graphs is used to improve geochemical models for adjustment of radiocarbon ages in groundwater systems.

Matlab Geochemistry: An open source geochemistry solver based on MRST

NASA Astrophysics Data System (ADS)

McNeece, C. J.; Raynaud, X.; Nilsen, H.; Hesse, M. A.

2017-12-01

The study of geological systems often requires the solution of complex geochemical relations. To address this need we present an open source geochemical solver based on the Matlab Reservoir Simulation Toolbox (MRST) developed by SINTEF. The implementation supports non-isothermal multicomponent aqueous complexation, surface complexation, ion exchange, and dissolution/precipitation reactions. The suite of tools available in MRST allows for rapid model development, in particular the incorporation of geochemical calculations into transport simulations of multiple phases, complex domain geometry and geomechanics. Different numerical schemes and additional physics can be easily incorporated into the existing tools through the object-oriented framework employed by MRST. The solver leverages the automatic differentiation tools available in MRST to solve arbitrarily complex geochemical systems with any choice of species or element concentration as input. Four mathematical approaches enable the solver to be quite robust: 1) the choice of chemical elements as the basis components makes all entries in the composition matrix positive thus preserving convexity, 2) a log variable transformation is used which transfers the nonlinearity to the convex composition matrix, 3) a priori bounds on variables are calculated from the structure of the problem, constraining Netwon's path and 4) an initial guess is calculated implicitly by sequentially adding model complexity. As a benchmark we compare the model to experimental and semi-analytic solutions of the coupled salinity-acidity transport system. Together with the reservoir simulation capabilities of MRST the solver offers a promising tool for geochemical simulations in reservoir domains for applications in a diversity of fields from enhanced oil recovery to radionuclide storage.

The geochemical evolution of riparian ground water in a forested piedmont catchment

USGS Publications Warehouse

Burns, Douglas A.; Plummer, Niel; McDonnell, Jeffrey J.; Busenberg, Eurybiades; Casile, Gerolamo C.; Kendall, Carol; Hooper, Richard P.; Freer, James E.; Peters, Norman E.; Beven, Keith; Schlosser, Peter

2003-01-01

The principal weathering reactions and their rates in riparian ground water were determined at the Panola Mountain Research Watershed (PMRW) near Atlanta, Georgia. Concentrations of major solutes were measured in ground water samples from 19 shallow wells completed in the riparian (saprolite) aquifer and in one borehole completed in granite, and the apparent age of each sample was calculated from chloroflourocarbons and tritium/helium-3 data. Concentrations of SiO2, Na+, and Ca2+ generally increased downvalley and were highest in the borehole near the watershed outlet. Strong positive correlations were found between the concentrations of these solutes and the apparent age of ground water that was modern (zero to one year) in the headwaters, six to seven years midway down the valley, and 26 to 27 years in the borehole, located ∼500 m downstream from the headwaters. Mass-balance modeling of chemical evolution showed that the downstream changes in ground water chemistry could be largely explained by weathering of plagioclase to kaolinite, with possible contributions from weathering of K-feldspar, biotite, hornblende, and calcite. The in situ rates of weathering reactions were estimated by combining the ground water age dates with geochemical mass-balance modeling results. The weathering rate was highest for plagioclase (∼6.4 μmol/L/year), but could not be easily compared with most other published results for feldspar weathering at PMRW and elsewhere because the mineral-surface area to which ground water was exposed during geochemical evolution could not be estimated. However, a preliminary estimate of the mineral-surface area that would have contacted the ground water to provide the observed solute concentrations suggests that the plagioclase weathering rate calculated in this study is similar to the rate calculated in a previous study at PMRW, and three to four orders of magnitude slower than those published in previous laboratory studies of feldspar weathering. An accurate model of the geochemical evolution of riparian ground water is necessary to accurately model the geochemical evolution of stream water at PMRW.

VIRUS TRANSPORT IN PHYSICALLY AND GEOCHEMICALLY HETEROGENEOUS SUBSURFACE POROUS MEDIA. (R826179)

EPA Science Inventory

A two-dimensional model for virus transport in physically and geochemically heterogeneous subsurface porous media is presented. The model involves solution of the advection–dispersion equation, which additionally considers virus inactivation in the solution, as well as ...

INEEL Subregional Conceptual Model Report Volume 2: Summary of Existing Knowledge of Geochemical Influences on the Fate and Transport of Contaminants in the Subsurface at the INEEL

DOE Office of Scientific and Technical Information (OSTI.GOV)

Paul L. Wichlacz; Robert C. Starr; Brennon Orr

2003-09-01

This document summarizes previous descriptions of geochemical system conceptual models for the vadose zone and groundwater zone (aquifer) beneath the Idaho National Engineering and Environmental Laboratory (INEEL). The primary focus is on groundwater because contaminants derived from wastes disposed at INEEL are present in groundwater, groundwater provides a pathway for potential migration to receptors, and because geochemical characteristics in and processes in the aquifer can substantially affect the movement, attenuation, and toxicity of contaminants. The secondary emphasis is perched water bodies in the vadose zone. Perched water eventually reaches the regional groundwater system, and thus processes that affect contaminants inmore » the perched water bodies are important relative to the migration of contaminants into groundwater. Similarly, processes that affect solutes during transport from nearsurface disposal facilities downward through the vadose zone to the aquifer are relevant. Sediments in the vadose zone can affect both water and solute transport by restricting the downward migration of water sufficiently that a perched water body forms, and by retarding solute migration via ion exchange. Geochemical conceptual models have been prepared by a variety of researchers for different purposes. They have been published in documents prepared by INEEL contractors, the United States Geological Survey (USGS), academic researchers, and others. The documents themselves are INEEL and USGS reports, and articles in technical journals. The documents reviewed were selected from citation lists generated by searching the INEEL Technical Library, the INEEL Environmental Restoration Optical Imaging System, and the ISI Web of Science databases. The citation lists were generated using the keywords ground water, groundwater, chemistry, geochemistry, contaminant, INEL, INEEL, and Idaho. In addition, a list of USGS documents that pertain to the INEEL was obtained and manually searched. The documents that appeared to be the most pertinent were selected from further review. These documents are tabulated in the citation list. This report summarizes existing geochemical conceptual models, but does not attempt to generate a new conceptual model or select the ''right'' model. This document is organized as follows. Geochemical models are described in general in Section 2. Geochemical processes that control the transport and fate of contaminants introduced into groundwater are described in Section 3. The natural geochemistry of the Eastern Snake River Plain Aquifer (SRPA) is described in Section 4. The effect of waste disposal on the INEEL subsurface is described in Section 5. The geochemical behavior of the major contaminants is described in Section 6. Section 7 describes the site-specific geochemical models developed for various INEEL facilities.« less

A Watched Ocean World Never Boils: Inspecting the Geochemical Impact on Ocean Worlds from Their Thermal Evolution

NASA Astrophysics Data System (ADS)

Spiers, E. M.; Schmidt, B. E.

2018-05-01

I aim to acquire better understanding of coupled thermal evolution and geochemical fluxes of an ocean world through a box model. A box model divides the system into plainer elements with realistically-solvable, dynamic equations.

Merging Hydrologic, Geochemical, and Geophysical Approaches to Understand the Regolith Architecture of a Deeply Weathered Piedmont Critical Zone

NASA Astrophysics Data System (ADS)

Cosans, C.; Moore, J.; Harman, C. J.

2017-12-01

Located in the deeply weathered Piedmont in Maryland, Pond Branch has a rich legacy of hydrological and geochemical research dating back to the first geochemical mass balance study published in 1970. More recently, geophysical investigations including seismic and electrical resistivity tomography have characterized the subsurface at Pond Branch and contributed to new hypotheses about critical zone evolution. Heterogeneity in electrical resistivity in the shallow subsurface may suggest disparate flow paths for recharge, with some regions with low hydraulic conductivity generating perched flow, while other hillslope sections recharge to the much deeper regolith boundary. These shallow and deep flow paths are hypothesized to be somewhat hydrologically and chemically connected, with the spatially and temporally discontinuous connections resulting in different hydraulic responses to recharge and different concentrations of weathering solutes. To test this hypothesis, we combined modeling and field approaches. We modeled weathering solutes along the hypothesized flow paths using PFLOTRAN. We measured hydrologic gradients in the hillslopes and riparian zone using piezometer water levels. We collected geochemical data including major ions and silica. Weathering solute concentrations were measured directly in the precipitation, hillslope springs, and the riparian zone for comparison to modeled concentration values. End member mixing methods were used to determine contributions of precipitation, hillslopes, and riparian zone to the stream. Combining geophysical, geochemical, and hydrological methods may offer insights into the source of stream water and controls on chemical weathering. Previous hypotheses that Piedmont critical zone architecture results from a balance of erosion, soil, and weathering front advance rates cannot account for the inverted regolith structure observed through seismic investigations at Pond Branch. Recent alternative hypotheses including weathering along tectonically-induced fractures and weathering front advance have been proposed, but additional data are needed to test them. Developing a thorough, nuanced understanding of the geochemical and hydrological behavior of Pond Branch may help test and refine hypotheses for Piedmont critical zone evolution.

Multivariate analysis of ATR-FTIR spectra for assessment of oil shale organic geochemical properties

USGS Publications Warehouse

Washburn, Kathryn E.; Birdwell, Justin E.

2013-01-01

In this study, attenuated total reflectance (ATR) Fourier transform infrared spectroscopy (FTIR) was coupled with partial least squares regression (PLSR) analysis to relate spectral data to parameters from total organic carbon (TOC) analysis and programmed pyrolysis to assess the feasibility of developing predictive models to estimate important organic geochemical parameters. The advantage of ATR-FTIR over traditional analytical methods is that source rocks can be analyzed in the laboratory or field in seconds, facilitating more rapid and thorough screening than would be possible using other tools. ATR-FTIR spectra, TOC concentrations and Rock–Eval parameters were measured for a set of oil shales from deposits around the world and several pyrolyzed oil shale samples. PLSR models were developed to predict the measured geochemical parameters from infrared spectra. Application of the resulting models to a set of test spectra excluded from the training set generated accurate predictions of TOC and most Rock–Eval parameters. The critical region of the infrared spectrum for assessing S1, S2, Hydrogen Index and TOC consisted of aliphatic organic moieties (2800–3000 cm−1) and the models generated a better correlation with measured values of TOC and S2 than did integrated aliphatic peak areas. The results suggest that combining ATR-FTIR with PLSR is a reliable approach for estimating useful geochemical parameters of oil shales that is faster and requires less sample preparation than current screening methods.

Assessment of groundwater quality: a fusion of geochemical and geophysical information via Bayesian neural networks.

PubMed

Maiti, Saumen; Erram, V C; Gupta, Gautam; Tiwari, Ram Krishna; Kulkarni, U D; Sangpal, R R

2013-04-01

Deplorable quality of groundwater arising from saltwater intrusion, natural leaching and anthropogenic activities is one of the major concerns for the society. Assessment of groundwater quality is, therefore, a primary objective of scientific research. Here, we propose an artificial neural network-based method set in a Bayesian neural network (BNN) framework and employ it to assess groundwater quality. The approach is based on analyzing 36 water samples and inverting up to 85 Schlumberger vertical electrical sounding data. We constructed a priori model by suitably parameterizing geochemical and geophysical data collected from the western part of India. The posterior model (post-inversion) was estimated using the BNN learning procedure and global hybrid Monte Carlo/Markov Chain Monte Carlo optimization scheme. By suitable parameterization of geochemical and geophysical parameters, we simulated 1,500 training samples, out of which 50 % samples were used for training and remaining 50 % were used for validation and testing. We show that the trained model is able to classify validation and test samples with 85 % and 80 % accuracy respectively. Based on cross-correlation analysis and Gibb's diagram of geochemical attributes, the groundwater qualities of the study area were classified into following three categories: "Very good", "Good", and "Unsuitable". The BNN model-based results suggest that groundwater quality falls mostly in the range of "Good" to "Very good" except for some places near the Arabian Sea. The new modeling results powered by uncertainty and statistical analyses would provide useful constrain, which could be utilized in monitoring and assessment of the groundwater quality.

Modeling Low-temperature Geochemical Processes

NASA Astrophysics Data System (ADS)

Nordstrom, D. K.

2003-12-01

Geochemical modeling has become a popular and useful tool for a wide number of applications from research on the fundamental processes of water-rock interactions to regulatory requirements and decisions regarding permits for industrial and hazardous wastes. In low-temperature environments, generally thought of as those in the temperature range of 0-100 °C and close to atmospheric pressure (1 atm=1.01325 bar=101,325 Pa), complex hydrobiogeochemical reactions participate in an array of interconnected processes that affect us, and that, in turn, we affect. Understanding these complex processes often requires tools that are sufficiently sophisticated to portray multicomponent, multiphase chemical reactions yet transparent enough to reveal the main driving forces. Geochemical models are such tools. The major processes that they are required to model include mineral dissolution and precipitation; aqueous inorganic speciation and complexation; solute adsorption and desorption; ion exchange; oxidation-reduction; or redox; transformations; gas uptake or production; organic matter speciation and complexation; evaporation; dilution; water mixing; reaction during fluid flow; reaction involving biotic interactions; and photoreaction. These processes occur in rain, snow, fog, dry atmosphere, soils, bedrock weathering, streams, rivers, lakes, groundwaters, estuaries, brines, and diagenetic environments. Geochemical modeling attempts to understand the redistribution of elements and compounds, through anthropogenic and natural means, for a large range of scale from nanometer to global. "Aqueous geochemistry" and "environmental geochemistry" are often used interchangeably with "low-temperature geochemistry" to emphasize hydrologic or environmental objectives.Recognition of the strategy or philosophy behind the use of geochemical modeling is not often discussed or explicitly described. Plummer (1984, 1992) and Parkhurst and Plummer (1993) compare and contrast two approaches for modeling groundwater chemistry: (i) "forward modeling," which predicts water compositions from hypothesized reactions and user assumptions and (ii) "inverse modeling," which uses water, mineral, and isotopic compositions to constrain hypothesized reactions. These approaches simply reflect the amount of information one has to work with. With minimal information on a site, a modeler is forced to rely on forward modeling. Optimal information would include detailed mineralogy on drill cores or well cuttings combined with detailed water analyses at varying depths and sufficient spatial distribution to follow geochemical reactions and mixing of waters along defined flow paths. With optimal information, a modeler will depend on inverse modeling.This chapter outlines the main concepts and key developments in the field of geochemical modeling for low-temperature environments and illustrates their use with examples. It proceeds with a short discussion of what modeling is, continues with concepts and definitions commonly used, and follows with a short history of geochemical models, a discussion of databases, the codes that embody models, and recent examples of how these codes have been used in water-rock interactions. An important new stage of development seems to have been reached in this field with questions of reliability and validity of models. Future work will be obligated to document ranges of certainty and sources of uncertainty, sensitivity of models and codes to parameter errors and assumptions, propagation of errors, and delineation of the range of applicability.

An array processing system for lunar geochemical and geophysical data

NASA Technical Reports Server (NTRS)

Eliason, E. M.; Soderblom, L. A.

1977-01-01

A computerized array processing system has been developed to reduce, analyze, display, and correlate a large number of orbital and earth-based geochemical, geophysical, and geological measurements of the moon on a global scale. The system supports the activities of a consortium of about 30 lunar scientists involved in data synthesis studies. The system was modeled after standard digital image-processing techniques but differs in that processing is performed with floating point precision rather than integer precision. Because of flexibility in floating-point image processing, a series of techniques that are impossible or cumbersome in conventional integer processing were developed to perform optimum interpolation and smoothing of data. Recently color maps of about 25 lunar geophysical and geochemical variables have been generated.

A combined geodynamical-geochemical modelling approach to investigating the Lu-Hf isotopic evolution of the terrestrial mantle and crust

NASA Astrophysics Data System (ADS)

Jones, R.; Van Keken, P. E.; Hauri, E.; Vervoort, J. D.; Ballentine, C. J.

2017-12-01

The chemical and isotopic evolution of the Earth's mantle is largely influenced by the formation of oceanic and continental crust at spreading ridges and through arc volcanism, and the subsequent recycling of this crust back into the mantle via subduction. In this study we use a combined geodynamical-geochemical modelling approach to investigate the Lu-Hf isotopic evolution of the terrestrial mantle and crust. We utilise the geodynamic mantle convection model developed by Brandenburg et al., 2008. This model satisfies the geophysical constraints of oceanic heat flow and average plate velocities, as well as geochemical observations such as 40Ar in the atmosphere. It has also been shown to reproduce the observed geochemical distributions in multiple isotope systems (U-Th-Pb, Rb-Sr, Sm-Nd, and Re-Os) that define the DMM, HIMU and EM1 mantle endmembers. We go on to extend this application to investigate the Lu-Hf isotope system, specifically in combination with Sm-Nd. The model has been updated to include a self-consistent reorganisation of the plates with regions of up-/down-wellings. The model is initiated at 4.55 Ga, assumes continental crust is produced from 4 Ga and that a transition from `dry' to `wet' subduction occurs at 3 Ga. The results of the geodynamic model suggest that the ƐHf composition and evolution of the upper mantle can be generated through the extraction and recycling of oceanic crust, which creates an enriched and radiogenic reservoir at the core-mantle boundary. The formation of continental crust, which is extracted at each time-step from the oceanic crust to imitate subduction zone processes, and the recycling of this continental crust as sediments, plays a lesser role. Depending on the selected partition coefficients DMM, FOZO and HIMU mantle endmember compositions are also produced via the simple extraction and recycling of oceanic crust. The formation of continental crust produces spread in the ƐNd vs. ƐHf array and extends the model values into the HIMU region of the terrestrial array. We go on to use this geodynamic-geochemical model to investigate different models of continental growth, by observing the effects on the coupled crustal-mantle reservoirs. Brandenburg, J.P., Hauri, E.H., van Keken, P.E., Ballentine, C.J., 2008. Earth and Planetary Science Letters 276, 1-13.

Equilibrium geochemical modeling of a seasonal thermal energy storage aquifer field test

NASA Technical Reports Server (NTRS)

Stottlemyre, J. S.

1980-01-01

A geochemical mathematical modeling study designed to investigate the well plugging problems encountered at the Auburn University experimental field tests is summarized. The results, primarily of qualitative interest, include: (1) loss of injectivity was probably due to a combination of native particulate plugging and clay swelling and dispersion; (2) fluid-fluid incompatibilities, hydrothermal reactions, and oxidation reactions were of insignificant magnitude or too slow to have contributed markedly to the plugging; and (3) the potential for and contributions from temperature-induced dissolved gas solubility reductions, capillary boundary layer viscosity increases, and microstructural deformation cannot be deconvolved from the available data.

The mineralogic evolution of the Martian surface through time: Implications from chemical reaction path modeling studies

NASA Technical Reports Server (NTRS)

Plumlee, G. S.; Ridley, W. I.; Debraal, J. D.; Reed, M. H.

1993-01-01

Chemical reaction path calculations were used to model the minerals that might have formed at or near the Martian surface as a result of volcano or meteorite impact driven hydrothermal systems; weathering at the Martian surface during an early warm, wet climate; and near-zero or sub-zero C brine-regolith reactions in the current cold climate. Although the chemical reaction path calculations carried out do not define the exact mineralogical evolution of the Martian surface over time, they do place valuable geochemical constraints on the types of minerals that formed from an aqueous phase under various surficial and geochemically complex conditions.

Evaluation of CO 2 -Fluid-Rock Interaction in Enhanced Geothermal Systems: Field-Scale Geochemical Simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pan, Feng; McPherson, Brian J.; Kaszuba, John

Recent studies suggest that using supercritical CO 2 (scCO 2 ) instead of water as a heat transmission fluid in Enhanced Geothermal Systems (EGS) may improve energy extraction. While CO 2 -fluid-rock interactions at “typical” temperatures and pressures of subsurface reservoirs are fairly well known, such understanding for the elevated conditions of EGS is relatively unresolved. Geochemical impacts of CO 2 as a working fluid (“CO 2 -EGS”) compared to those for water as a working fluid (H 2 O-EGS) are needed. The primary objectives of this study are (1) constraining geochemical processes associated with CO 2 -fluid-rock interactions undermore » the high pressures and temperatures of a typical CO 2 -EGS site and (2) comparing geochemical impacts of CO 2 -EGS to geochemical impacts of H 2 O-EGS. The St. John’s Dome CO 2 -EGS research site in Arizona was adopted as a case study. A 3D model of the site was developed. Net heat extraction and mass flow production rates for CO 2 -EGS were larger compared to H 2 O-EGS, suggesting that using scCO 2 as a working fluid may enhance EGS heat extraction. More aqueous CO 2 accumulates within upper- and lower-lying layers than in the injection/production layers, reducing pH values and leading to increased dissolution and precipitation of minerals in those upper and lower layers. Dissolution of oligoclase for water as a working fluid shows smaller magnitude in rates and different distributions in profile than those for scCO 2 as a working fluid. It indicates that geochemical processes of scCO 2 -rock interaction have significant effects on mineral dissolution and precipitation in magnitudes and distributions.« less

Evaluation of CO 2 -Fluid-Rock Interaction in Enhanced Geothermal Systems: Field-Scale Geochemical Simulations

DOE PAGES

Pan, Feng; McPherson, Brian J.; Kaszuba, John

2017-01-01

Recent studies suggest that using supercritical CO 2 (scCO 2 ) instead of water as a heat transmission fluid in Enhanced Geothermal Systems (EGS) may improve energy extraction. While CO 2 -fluid-rock interactions at “typical” temperatures and pressures of subsurface reservoirs are fairly well known, such understanding for the elevated conditions of EGS is relatively unresolved. Geochemical impacts of CO 2 as a working fluid (“CO 2 -EGS”) compared to those for water as a working fluid (H 2 O-EGS) are needed. The primary objectives of this study are (1) constraining geochemical processes associated with CO 2 -fluid-rock interactions undermore » the high pressures and temperatures of a typical CO 2 -EGS site and (2) comparing geochemical impacts of CO 2 -EGS to geochemical impacts of H 2 O-EGS. The St. John’s Dome CO 2 -EGS research site in Arizona was adopted as a case study. A 3D model of the site was developed. Net heat extraction and mass flow production rates for CO 2 -EGS were larger compared to H 2 O-EGS, suggesting that using scCO 2 as a working fluid may enhance EGS heat extraction. More aqueous CO 2 accumulates within upper- and lower-lying layers than in the injection/production layers, reducing pH values and leading to increased dissolution and precipitation of minerals in those upper and lower layers. Dissolution of oligoclase for water as a working fluid shows smaller magnitude in rates and different distributions in profile than those for scCO 2 as a working fluid. It indicates that geochemical processes of scCO 2 -rock interaction have significant effects on mineral dissolution and precipitation in magnitudes and distributions.« less

Using multifractal modeling as a standard tool in geochemical exploration for predicting mineralized areas

NASA Astrophysics Data System (ADS)

Gonçalves, Mario A.

2015-04-01

It has been 20 years since the pioneering work of Cheng et al (1994) first proposed a quantitative relationship for the areas enclosing concentration values of an element above given thresholds and their distribution in the field, known as concentration-area (CA) method, which is based in multifractal theory. The method allows the definition of geochemical anomalies in wide set of geological backgrounds but it took nearly 15 years before it became a widely used methodology for mineral exploration. The method was also extended to 1D and 3D data sets. It is worth noting the variety of methods that spanned from the theory of fractals. Building on previous models, including multiplicative cascades and size-grade relationships, increasing evidence points to the powerful tools of fractal theory to describe and model ore deposit distribution and formation. However, while much of these approaches become complex and not easy to use, the CA method is remarkable for its utter simplicity and disarming results obtained when confronted with the geological reality in the field. This is most valued by companies and professionals undertaking geochemical exploration surveys for the characterization or refining of potential ore targets or known mineralized areas. Several approaches have combined the CA method with geostatistic modeling and simulation and other established statistical techniques in order to enhance anomalous threshold identification. Examples are not restricted to geochemical exploration alone, other applications being studies on environmental change. Some of these examples will be addressed as they have been applied to different regions in the world, but particular emphasis will be put on geochemical exploration surveys in different geotectonic units of the Variscan basement in the Iberian Peninsula. These include quartz-vein gold mineralization in Northern Portugal and several surveys for base metals over two wide areas, which served to re-evaluate much of the scattered geochemical data sets that have been accumulating for decades of mining exploration in Southern Portugal. The studied zones include: the tectonic controlled quartz-vein Au-Sb mineralizations, the gabbroic and ultramafic complex of the southern border of the Ossa-Morena Zone, and the rocks belonging to the World-class massive sulfide province, the Iberian Pyrite Belt (IPB). The methodology used the CA method but also variogram analysis and modelling to outline and classify different sets of mineral deposits before confirmation in the field. This diversity of geologic contexts serves to show how effective and powerful the CA method can be, since it not only enhances already known mineralizations, it allowed the screening and identification of several new mineralized spots that have been previously overlooked. This has been of particularly economic importance because a major re-analysis of data and new exploration campaigns are currently under way for the next years in the IPB, with the potential for opening a new paradigm in the exploration for massive sulfide deposits in the region. Cheng et al, 1994, J. Geochem. Explor., 51, 109.

Hydrologic and geochemical data assimilation at the Hanford 300 Area

NASA Astrophysics Data System (ADS)

Chen, X.; Hammond, G. E.; Murray, C. J.; Zachara, J. M.

2012-12-01

In modeling the uranium migration within the Integrated Field Research Challenge (IFRC) site at the Hanford 300 Area, uncertainties arise from both hydrologic and geochemical sources. The hydrologic uncertainty includes the transient flow boundary conditions induced by dynamic variations in Columbia River stage and the underlying heterogeneous hydraulic conductivity field, while the geochemical uncertainty is a result of limited knowledge of the geochemical reaction processes and parameters, as well as heterogeneity in uranium source terms. In this work, multiple types of data, including the results from constant-injection tests, borehole flowmeter profiling, and conservative tracer tests, are sequentially assimilated across scales within a Bayesian framework to reduce the hydrologic uncertainty. The hydrologic data assimilation is then followed by geochemical data assimilation, where the goal is to infer the heterogeneous distribution of uranium sources using uranium breakthrough curves from a desorption test that took place at high spring water table. We demonstrate in our study that Ensemble-based data assimilation techniques (Ensemble Kalman filter and smoother) are efficient in integrating multiple types of data sequentially for uncertainty reduction. The computational demand is managed by using the multi-realization capability within the parallel PFLOTRAN simulator.

An archean suture zone in the Tobacco Root Mountains? (1984) Evolution of Archean Continental Crust, SW Montana (1985)

NASA Technical Reports Server (NTRS)

Mogk, D. W.; Kain, L.

1985-01-01

The Lake Plateau area of the Beartooth Mountains, Montana were mapped and geochemically sampled. The allochthonous nature of the Stillwater Complex was interpreted as a Cordilleran-style continental margin. The metamorphic and tectonic history of the Beartooth Mountains was addressed. The Archean geology of the Spanish Peaks area, northern Madison Range was addressed. A voluminous granulite terrain of supracrustal origin was identified, as well as a heretofore unknown Archean batholithic complex. Mapping, petrologic, and geochemical investigations of the Blacktail Mountains, on the western margin of the Wyoming Province, are completed. Mapping at a scale of 1:24000 in the Archean rocks of the Gravelly Range is near completion. This sequence is dominantly of stable-platform origin. Samples were collected for geothermometric/barometric analysis and for U-Pb zircon age dating. The analyses provide the basis for additional geochemical and geochronologic studies. A model for the tectonic and geochemical evolution of the Archean basement of SW Montana is presented.

Geochemical Models of Water-Quality Changes During Aquifer Storage Recovery (ASR) Cycle Tests, Phase 1: Geochemical Models Using Existing Data

DTIC Science & Technology

2006-09-01

Richardson, in review). Figure 1 shows the lithostratigraphic setting for Eocene through Miocene strata, and the occurrence of hydrostratigraphic units of...basal Haw- thorn unit lies unconformably on lithologies informally called “ Eocene limestones,” which consist of Suwannee Limestone, Ocala Limestone

A kinetics database and scripts for PHREEQC

NASA Astrophysics Data System (ADS)

Hu, B.; Zhang, Y.; Teng, Y.; Zhu, C.

2017-12-01

Kinetics of geochemical reactions has been increasingly used in numerical models to simulate coupled flow, mass transport, and chemical reactions. However, the kinetic data are scattered in the literature. To assemble a kinetic dataset for a modeling project is an intimidating task for most. In order to facilitate the application of kinetics in geochemical modeling, we assembled kinetics parameters into a database for the geochemical simulation program, PHREEQC (version 3.0). Kinetics data were collected from the literature. Our database includes kinetic data for over 70 minerals. The rate equations are also programmed into scripts with the Basic language. Using the new kinetic database, we simulated reaction path during the albite dissolution process using various rate equations in the literature. The simulation results with three different rate equations gave difference reaction paths at different time scale. Another application involves a coupled reactive transport model simulating the advancement of an acid plume in an acid mine drainage site associated with Bear Creek Uranium tailings pond. Geochemical reactions including calcite, gypsum, and illite were simulated with PHREEQC using the new kinetic database. The simulation results successfully demonstrated the utility of new kinetic database.

A new statistical model to find bedrock, a prequel to geochemical mass balance

NASA Astrophysics Data System (ADS)

Fisher, B.; Rendahl, A. K.; Aufdenkampe, A. K.; Yoo, K.

2016-12-01

We present a new statistical model to assess weathering trends in deep weathering profiles. The Weathering Trends (WT) model is presented as an extension of the geochemical mass balance model (Brimhall & Dietrich, 1987), and is available as an open-source R library on GitHub (https://github.com/AaronRendahl/WeatheringTrends). WT uses element concentration data to determine the depth to fresh bedrock by assessing the maximum extent of weathering for all elements and the model applies confidence intervals on the depth to bedrock. WT models near-surface features and the shape of the weathering profile using a log transformation of data to capture the magnitude of changes that are relevant to geochemical kinetics and thermodynamics. The WT model offers a new, enhanced opportunity to characterize and understand biogeochemical weathering in heterogeneous rock types. We apply the model to two 21-meter drill cores in the Laurels Schist bedrock in the Christina River Basin Critical Zone Observatory in the Pennsylvania Piedmont. The Laurels Schist had inconclusive weathering indicators prior to development and application of WT model. The model differentiated between rock variability and weathering to delineate the maximum extent of weathering at 12.3 (CI 95% [9.2, 21.3]) meters in Ridge Well 1 and 7.2 (CI 95% [4.3, 13.0]) meters in Interfluve Well 2. The modeled extent to weathering is decoupled from the water table at the ridge, but coincides with the water table at the interfluve. These depths were applied as the parent material for the geochemical mass balance for the Laurels Schist. We test statistical approaches to assess the variability and correlation of immobile elements to facilitate the selection of the best immobile element for use in both models. We apply the model to other published data where the geochemical mass balance was applied, to demonstrate how the WT model provides additional information about weathering depth and weathering trends.

Identification and characterization of tsunami deposits off southeast coast of India from the 2004 Indian Ocean tsunami: Rock magnetic and geochemical approach

NASA Astrophysics Data System (ADS)

Veerasingam, S.; Venkatachalapathy, R.; Basavaiah, N.; Ramkumar, T.; Venkatramanan, S.; Deenadayalan, K.

2014-06-01

The December 2004 Indian Ocean Tsunami (IOT) had a major impact on the geomorphology and sedimentology of the east coast of India. Estimation of the magnitude of the tsunami from its deposits is a challenging topic to be developed in studies on tsunami hazard assessment. Two core sediments (C1 and C2) from Nagapattinam, southeast coast of India were subjected to textural, mineral, geochemical and rock-magnetic measurements. In both cores, three zones (zone I, II and III) have been distinguished based on mineralogical, geochemical and magnetic data. Zone II is featured by peculiar rock-magnetic, textural, mineralogical and geochemical signatures in both sediment cores that we interpret to correspond to the 2004 IOT deposit. Textural, mineralogical, geochemical and rock-magnetic investigations showed that the tsunami deposit is featured by relative enrichment in sand, quartz, feldspar, carbonate, SiO 2, TiO 2, K 2O and CaO and by a depletion in clay and iron oxides. These results point to a dilution of reworked ferromagnetic particles into a huge volume of paramagnetic materials, similar to what has been described in other nearshore tsunami deposits (Font et al. 2010). Correlation analysis elucidated the relationships among the textural, mineral, geochemical and magnetic parameters, and suggests that most of the quartz-rich coarse sediments have been transported offshore by the tsunami wave. These results agreed well with the previously published numerical model of tsunami induced sediment transport off southeast coast of India and can be used for future comparative studies on tsunami deposits.

A COMSOL-GEMS interface for modeling coupled reactive-transport geochemical processes

NASA Astrophysics Data System (ADS)

Azad, Vahid Jafari; Li, Chang; Verba, Circe; Ideker, Jason H.; Isgor, O. Burkan

2016-07-01

An interface was developed between COMSOL MultiphysicsTM finite element analysis software and (geo)chemical modeling platform, GEMS, for the reactive-transport modeling of (geo)chemical processes in variably saturated porous media. The two standalone software packages are managed from the interface that uses a non-iterative operator splitting technique to couple the transport (COMSOL) and reaction (GEMS) processes. The interface allows modeling media with complex chemistry (e.g. cement) using GEMS thermodynamic database formats. Benchmark comparisons show that the developed interface can be used to predict a variety of reactive-transport processes accurately. The full functionality of the interface was demonstrated to model transport processes, governed by extended Nernst-Plank equation, in Class H Portland cement samples in high pressure and temperature autoclaves simulating systems that are used to store captured carbon dioxide (CO2) in geological reservoirs.

Uranium transport in a crushed granodiorite: Experiments and reactive transport modeling

DOE PAGES

Dittrich, T. M.; Reimus, P. W.

2015-02-12

The primary objective of this study was to develop and demonstrate an experimental method to refine and better parameterize process models for reactive contaminant transport in aqueous subsurface environments and to reduce conservatism in such models without attempting to fully describe the geochemical system.

Manual hierarchical clustering of regional geochemical data using a Bayesian finite mixture model

USGS Publications Warehouse

Ellefsen, Karl J.; Smith, David

2016-01-01

Interpretation of regional scale, multivariate geochemical data is aided by a statistical technique called “clustering.” We investigate a particular clustering procedure by applying it to geochemical data collected in the State of Colorado, United States of America. The clustering procedure partitions the field samples for the entire survey area into two clusters. The field samples in each cluster are partitioned again to create two subclusters, and so on. This manual procedure generates a hierarchy of clusters, and the different levels of the hierarchy show geochemical and geological processes occurring at different spatial scales. Although there are many different clustering methods, we use Bayesian finite mixture modeling with two probability distributions, which yields two clusters. The model parameters are estimated with Hamiltonian Monte Carlo sampling of the posterior probability density function, which usually has multiple modes. Each mode has its own set of model parameters; each set is checked to ensure that it is consistent both with the data and with independent geologic knowledge. The set of model parameters that is most consistent with the independent geologic knowledge is selected for detailed interpretation and partitioning of the field samples.

Geochemistry and the Understanding of Groundwater Systems

NASA Astrophysics Data System (ADS)

Glynn, P. D.; Plummer, L. N.; Weissmann, G. S.; Stute, M.

2009-12-01

Geochemical techniques and concepts have made major contributions to the understanding of groundwater systems. Advances continue to be made through (1) development of measurement and characterization techniques, (2) improvements in computer technology, networks and numerical modeling, (3) investigation of coupled geologic, hydrologic, geochemical and biologic processes, and (4) scaling of individual observations, processes or subsystem models into larger coherent model frameworks. Many applications benefit from progress in these areas, such as: (1) understanding paleoenvironments, in particular paleoclimate, through the use of groundwater archives, (2) assessing the sustainability (recharge and depletion) of groundwater resources, and (3) their vulnerability to contamination, (4) evaluating the capacity and consequences of subsurface waste isolation (e.g. geologic carbon sequestration, nuclear and chemical waste disposal), (5) assessing the potential for mitigation/transformation of anthropogenic contaminants in groundwater systems, and (6) understanding the effect of groundwater lag times in ecosystem-scale responses to natural events, land-use changes, human impacts, and remediation efforts. Obtaining “representative” groundwater samples is difficult and progress in obtaining “representative” samples, or interpreting them, requires new techniques in characterizing groundwater system heterogeneity. Better characterization and simulation of groundwater system heterogeneity (both physical and geochemical) is critical to interpreting the meaning of groundwater “ages”; to understanding and predicting groundwater flow, solute transport, and geochemical evolution; and to quantifying groundwater recharge and discharge processes. Research advances will also come from greater use and progress (1) in the application of environmental tracers to ground water dating and in the analysis of new geochemical tracers (e.g. compound specific isotopic analyses, noble gas isotopes, analyses of natural organic tracers), (2) in inverse geochemical and hydrological modeling, (3) in the understanding and simulation of coupled biological, geological, geochemical and hydrological processes, and (4) in the description and quantification of processes occurring at the boundaries of groundwater systems (e.g. unsaturated zone processes, groundwater/surface water interactions, impacts of changing geomorphology and vegetation). Improvements are needed in the integration of widely diverse information. Better techniques are needed to construct coherent conceptual frameworks from individual observations, simulated or reconstructed information, process models, and intermediate scale models. Iterating between data collection, interpretation, and the application of forward, inverse, and statistical modeling tools is likely to provide progress in this area. Quantifying groundwater system processes by using an open-system thermodynamic approach in a common mass- and energy-flow framework will also facilitate comparison and understanding of diverse processes.

Probabilistic, sediment-geochemical parameterisation of the groundwater compartment of the Netherlands for spatially distributed, reactive transport modelling

NASA Astrophysics Data System (ADS)

Janssen, Gijs; Gunnink, Jan; van Vliet, Marielle; Goldberg, Tanya; Griffioen, Jasper

2017-04-01

Pollution of groundwater aquifers with contaminants as nitrate is a common problem. Reactive transport models are useful to predict the fate of such contaminants and to characterise the efficiency of mitigating or preventive measures. Parameterisation of a groundwater transport model on reaction capacity is a necessary step during building the model. Two Dutch, national programs are combined to establish a methodology for building a probabilistic model on reaction capacity of the groundwater compartment at the national scale: the Geological Survey program and the NHI Netherlands Hydrological Instrument program. Reaction capacity is considered as a series of geochemical characteristics that control acid/base condition, redox condition and sorption capacity. Five primary reaction capacity variables are characterised: 1. pyrite, 2. non-pyrite, reactive iron (oxides, siderite and glauconite), 3. clay fraction, 4. organic matter and 5. Ca-carbonate. Important reaction capacity variables that are determined by more than one solid compound are also deduced: 1. potential reduction capacity (PRC) by pyrite and organic matter, 2. cation-exchange capacity (CEC) by organic matter and clay content, 3. carbonate buffering upon pyrite oxidation (CPBO) by carbonate and pyrite. Statistical properties of these variables are established based on c. 16,000 sediment geochemical analyses. The first tens of meters are characterised based on 25 regions using combinations of lithological class and geological formation as strata. Because of both less data and more geochemical uniformity, the deeper subsurface is characterised in a similar way based on 3 regions. The statistical data is used as input in an algoritm that probabilistically calculates the reaction capacity per grid cell. First, the cumulative frequency distribution (cfd) functions are calculated from the statistical data for the geochemical strata. Second, all voxel cells are classified into the geochemical strata. Third, the cfd functions are used to put random reaction capacity variables into the hydrological voxel model. Here, the distribution can be conditioned on two variables. Two important variables are clay content and depth. The first is valid because more dense data is available for clay content than for geochemical variables as pyrite and probabilistic, lithological models are also built at TNO Geological Survey. The second is important to account for locally different depths at which the redox cline between NO3-rich and Fe(II)-rich groundwater occurs within the first tens of meters of the subsurface. An extensive data-set of groundwater quality analyses is used to derive criteria for depth variability of the redox cline. The result is a unique algoritm in order to obtain heterogeneous geochemical reaction capacity models of the entire groundwater compartment of the Netherlands.

Reactive Transport of Petroleum Hydrocarbon Constituents in a Shallow Aquifer: Modeling Geochemical Interactions Between Organic and Inorganic Species

NASA Astrophysics Data System (ADS)

McNab, W. W.; Narasimhan, T. N.

1995-08-01

Dissolved organic contaminants such as petroleum hydrocarbon constituents are often observed to degrade in groundwater environments through biologically mediated transformation reactions into carbon dioxide, methane, or intermediate organic compounds. Such transformations are closely tied to local geochemical conditions. Favorable degradation pathways depend upon local redox conditions through thermodynamic constraints and the availability of appropriate mediating microbial populations. Conversely, the progress of the degradation reactions may affect the chemical composition of groundwater through changes in electron donor/acceptor speciation and pH, possibly inducing mineral precipitation/dissolution reactions. Transport of reactive organic and inorganic aqueous species through open systems may enhance the reaction process by mixing unlike waters and producing a state of general thermodynamic disequilibrium. In this study, field data from an aquifer contaminated by petroleum hydrocarbons have been analyzed using a mathematical model which dynamically couples equilibrium geochemistry of inorganic constituents, kinetically dominated sequential degradation of organic compounds, and advective-dispersive chemical transport. Simulation results indicate that coupled geochemical processes inferred from field data, such as organic biodegradation, iron reduction and dissolution, and methanogenesis, can be successfully modeled using a partial-redox-disequilibrium approach. The results of this study also suggest how the modeling approach can be used to study system sensitivity to various physical and chemical parameters, such as the effect of dispersion on the position of chemical fronts and the impact of alternative buffering mineral phases (e.g., goethite versus amorphous Fe(OH)3) on water chemistry.

Effects of Land-Use Change and Managed Aquifer Recharge on Geochemical Reactions with Implications for Groundwater Quantity and Quality in Atoll Island Aquifers, Roi-Namur, Republic of the Marshall Islands

NASA Astrophysics Data System (ADS)

Hejazian, M.; Swarzenski, P. W.; Gurdak, J. J.; Odigie, K. O.; Storlazzi, C. D.

2015-12-01

This study compares the hydrogeochemistry of two contrasting atoll groundwater systems in Roi-Namur, Republic of the Marshall Islands. Roi-Namur houses a U.S. Department of Defense military installation and presents an ideal study location where a human impacted aquifer is co-located next to a natural aquifer as part of two artificially conjoined atoll islands. The hydrogeology and geochemistry of carbonate atoll aquifers has been well studied, particularly because of its small, well-defined hydrologic system that allows for relatively precise modeling. However, it is unknown how changes in land-use/land cover and managed aquifer recharge (MAR) alters natural geochemical processes in atoll aquifers. A better understanding of this has implications on groundwater quantity and quality, carbonate dissolution, and best aquifer management practices in the context of rising sea level and saltwater intrusion. Roi has been heavily modified to house military and civilian operations; here, lack of vegetation and managed recharge has increased the volume of potable groundwater and affected the geochemical processes in the freshwater lens and saltwater transition zone. Namur is heavily vegetated and the hydrogeology is indicative of a natural atoll island. A suite of monitoring wells were sampled across both island settings for major ions, nutrients, trace elements, DOC/DIC, δ13C and δ18O/2H isotopes. By modeling geochemical reactions using a conservative mixing approach, we measure deviations from expected reactions and compare the two contrasting settings using derived geochemical profiles through a wide salinity spectrum. Results indicate that groundwater on Namur is more heavily depleted in δ13C and has greater dissolved inorganic carbon, suggesting higher microbial oxidation and greater dissolution within the carbonate aquifer. This suggests MAR and reduction of vegetation makes the groundwater supply on atoll islands more resilient to sea level rise.

Geochemical modeling of trivalent chromium migration in saline-sodic soil during Lasagna process: impact on soil physicochemical properties.

PubMed

Lukman, Salihu; Bukhari, Alaadin; Al-Malack, Muhammad H; Mu'azu, Nuhu D; Essa, Mohammed H

2014-01-01

Trivalent Cr is one of the heavy metals that are difficult to be removed from soil using electrokinetic study because of its geochemical properties. High buffering capacity soil is expected to reduce the mobility of the trivalent Cr and subsequently reduce the remedial efficiency thereby complicating the remediation process. In this study, geochemical modeling and migration of trivalent Cr in saline-sodic soil (high buffering capacity and alkaline) during integrated electrokinetics-adsorption remediation, called the Lasagna process, were investigated. The remedial efficiency of trivalent Cr in addition to the impacts of the Lasagna process on the physicochemical properties of the soil was studied. Box-Behnken design was used to study the interaction effects of voltage gradient, initial contaminant concentration, and polarity reversal rate on the soil pH, electroosmotic volume, soil electrical conductivity, current, and remedial efficiency of trivalent Cr in saline-sodic soil that was artificially spiked with Cr, Cu, Cd, Pb, Hg, phenol, and kerosene. Overall desirability of 0.715 was attained at the following optimal conditions: voltage gradient 0.36 V/cm; polarity reversal rate 17.63 hr; soil pH 10.0. Under these conditions, the expected trivalent Cr remedial efficiency is 64.75%.

Geochemical Modeling of Trivalent Chromium Migration in Saline-Sodic Soil during Lasagna Process: Impact on Soil Physicochemical Properties

PubMed Central

Bukhari, Alaadin; Al-Malack, Muhammad H.; Mu'azu, Nuhu D.; Essa, Mohammed H.

2014-01-01

Trivalent Cr is one of the heavy metals that are difficult to be removed from soil using electrokinetic study because of its geochemical properties. High buffering capacity soil is expected to reduce the mobility of the trivalent Cr and subsequently reduce the remedial efficiency thereby complicating the remediation process. In this study, geochemical modeling and migration of trivalent Cr in saline-sodic soil (high buffering capacity and alkaline) during integrated electrokinetics-adsorption remediation, called the Lasagna process, were investigated. The remedial efficiency of trivalent Cr in addition to the impacts of the Lasagna process on the physicochemical properties of the soil was studied. Box-Behnken design was used to study the interaction effects of voltage gradient, initial contaminant concentration, and polarity reversal rate on the soil pH, electroosmotic volume, soil electrical conductivity, current, and remedial efficiency of trivalent Cr in saline-sodic soil that was artificially spiked with Cr, Cu, Cd, Pb, Hg, phenol, and kerosene. Overall desirability of 0.715 was attained at the following optimal conditions: voltage gradient 0.36 V/cm; polarity reversal rate 17.63 hr; soil pH 10.0. Under these conditions, the expected trivalent Cr remedial efficiency is 64.75 %. PMID:25152905

Integrating surrogate models into subsurface simulation framework allows computation of complex reactive transport scenarios

NASA Astrophysics Data System (ADS)

De Lucia, Marco; Kempka, Thomas; Jatnieks, Janis; Kühn, Michael

2017-04-01

Reactive transport simulations - where geochemical reactions are coupled with hydrodynamic transport of reactants - are extremely time consuming and suffer from significant numerical issues. Given the high uncertainties inherently associated with the geochemical models, which also constitute the major computational bottleneck, such requirements may seem inappropriate and probably constitute the main limitation for their wide application. A promising way to ease and speed-up such coupled simulations is achievable employing statistical surrogates instead of "full-physics" geochemical models [1]. Data-driven surrogates are reduced models obtained on a set of pre-calculated "full physics" simulations, capturing their principal features while being extremely fast to compute. Model reduction of course comes at price of a precision loss; however, this appears justified in presence of large uncertainties regarding the parametrization of geochemical processes. This contribution illustrates the integration of surrogates into the flexible simulation framework currently being developed by the authors' research group [2]. The high level language of choice for obtaining and dealing with surrogate models is R, which profits from state-of-the-art methods for statistical analysis of large simulations ensembles. A stand-alone advective mass transport module was furthermore developed in order to add such capability to any multiphase finite volume hydrodynamic simulator within the simulation framework. We present 2D and 3D case studies benchmarking the performance of surrogates and "full physics" chemistry in scenarios pertaining the assessment of geological subsurface utilization. [1] Jatnieks, J., De Lucia, M., Dransch, D., Sips, M.: "Data-driven surrogate model approach for improving the performance of reactive transport simulations.", Energy Procedia 97, 2016, p. 447-453. [2] Kempka, T., Nakaten, B., De Lucia, M., Nakaten, N., Otto, C., Pohl, M., Chabab [Tillner], E., Kühn, M.: "Flexible Simulation Framework to Couple Processes in Complex 3D Models for Subsurface Utilization Assessment.", Energy Procedia, 97, 2016 p. 494-501.

STRATEGY FOR IN SITU BIOREMEDIATION OF ARSENIC IN GROUNDWATER: FIELD AND MODELING STUDIES

EPA Science Inventory

Natural sources of arsenic are a major threat to water quality worldwide. Geochemical modeling techniques were used to examine the biogeochemical linkages between Fe, S, and As in shallow alluvial aquifers. We modeled: 1) the adsorption and desorption of As on the surface of hy...

Impacts of CO2 Leakage on a Shallow Aquifer System: Laboratory Column Experiments and Reactive Transport Modeling

NASA Astrophysics Data System (ADS)

Ha, Jong Heon; Jeen, Sung-Wook

2017-04-01

Groundwater quality change due to the leakage of CO2 in a shallow aquifer system is an important aspect of environmental impact assessment in a carbon dioxide capture and storage (CCS) site. This study evaluated geochemical changes in a shallow aquifer system resulting from leakage of CO2 through laboratory column experiments and reactive transport modeling. In the column experiments, two columns were set up and filled with the sediment from the Environmental Impact Test (EIT) facility of the Korea CO2 Storage Environmental Management (K-COSEM) Research Center. Groundwater, also collected form the EIT site, was purged with CO2 or Ar gases, and was pumped into the columns with the pumping rates of 200-1000 mL day-1 (0.124-0.62 m day-1). Profile and time-series effluent samplings were conducted to evaluate the spatial and temporal geochemical changes in the aquifer materials upon contact with CO2. The experimental results showed that after injecting CO2-purged groundwater, the pH was decreased, and alkalinity, electrical conductivity (EC) and concentrations of major cations were increased. The spatial and temporal geochemical changes from the column experiments indicate that dissolution of aquifer materials in contact with dissolved CO2 is the major contributor to the changes in groundwater geochemistry. The reactive transport modeling has been conducted to reproduce these geochemical changes in the aquifer system by incorporating dissolution of the dominant aluminosilicate minerals in the aquifer such as microcline, anorthite, albite, and biotite. This study suggests that pH, alkalinity, EC and concentrations of major cations are important monitoring parameters for detecting CO2 leakage in a shallow groundwater aquifer system.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Solc, J.

The reclamation effort typically deals with consequences of mining activity instead of being planned well before the mining. Detailed assessment of principal hydro- and geochemical processes participating in pore and groundwater chemistry evolution was carried out at three surface mine localities in North Dakota-the Fritz mine, the Indian Head mine, and the Velva mine. The geochemical model MINTEQUA2 and advanced statistical analysis coupled with traditional interpretive techniques were used to determine site-specific environmental characteristics and to compare the differences between study sites. Multivariate statistical analysis indicates that sulfate, magnesium, calcium, the gypsum saturation index, and sodium contribute the most tomore » overall differences in groundwater chemistry between study sites. Soil paste extract pH and EC measurements performed on over 3700 samples document extremely acidic soils at the Fritz mine. The number of samples with pH <5.5 reaches 80%-90% of total samples from discrete depth near the top of the soil profile at the Fritz mine. Soil samples from Indian Head and Velva do not indicate the acidity below the pH of 5.5 limit. The percentage of samples with EC > 3 mS cm{sup -1} is between 20% and 40% at the Fritz mine and below 20% for samples from Indian Head and Velva. The results of geochemical modeling indicate an increased tendency for gypsum saturation within the vadose zone, particularly within the lands disturbed by mining activity. This trend is directly associated with increased concentrations of sulfate anions as a result of mineral oxidation. Geochemical modeling, statistical analysis, and soil extract pH and EC measurements proved to be reliable, fast, and relatively cost-effective tools for the assessment of soil acidity, the extent of the oxidation zone, and the potential for negative impact on pore and groundwater chemistry.« less

Model simulations of a field experiment on cation exchange-affected multicomponent solute transport in a sandy aquifer

NASA Astrophysics Data System (ADS)

Bjerg, Poul L.; Ammentorp, Hans C.; Christensen, Thomas H.

1993-04-01

A large-scale and long-term field experiment on cation exchange in a sandy aquifer has been modelled by a three-dimensional geochemical transport model. The geochemical model includes cation-exchange processes using a Gaines-Thomas expression, the closed carbonate system and the effects of ionic strength. Information on geology, hydrogeology and the transient conservative solute transport behaviour was obtained from a dispersion study in the same aquifer. The geochemical input parameters were carefully examined. CEC and selectivity coefficients were determined on the actual aquifer material by batch experiments and by the composition of the cations on the exchange complex. Potassium showed a non-ideal exchange behaviour with KCa selectivity coefficients indicating dependency on equivalent fraction and K + concentration in the aqueous phase. The model simulations over a distance of 35 m and a period of 250 days described accurately the observed attenuation of Na and the expelled amounts of Ca and Mg. Also, model predictions of plateau zones, formed by interaction with the background groundwater, in general agreed satisfactorily with the observations. Transport of K was simulated over a period of 800 days due to a substantially attenuation in the aquifer. The observed and the predicted breakthrough curves showed a reasonable accordance taking the duration of the experiment into account. However, some discrepancies were observed probably caused by the revealed non-ideal exchange behaviour of K +.

Relating soil geochemical properties to arsenic bioaccessibility through hierarchical modeling.

EPA Science Inventory

Interest in improved understanding of relationships among soil properties and arsenic (As) bioaccessibility has motivated the use of regression models for As bioaccessibility prediction. However, limits in the numbers and types of soils included in previous studies restrict the u...

Geochemical Data Package for Performance Assessment Calculations Related to the Savannah River Site

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kaplan, Daniel I.

The Savannah River Site (SRS) disposes of low-level radioactive waste (LLW) and stabilizes high-level radioactive waste (HLW) tanks in the subsurface environment. Calculations used to establish the radiological limits of these facilities are referred to as Performance Assessments (PA), Special Analyses (SA), and Composite Analyses (CA). The objective of this document is to revise existing geochemical input values used for these calculations. This work builds on earlier compilations of geochemical data (2007, 2010), referred to a geochemical data packages. This work is being conducted as part of the on-going maintenance program of the SRS PA programs that periodically updates calculationsmore » and data packages when new information becomes available. Because application of values without full understanding of their original purpose may lead to misuse, this document also provides the geochemical conceptual model, the approach used for selecting the values, the justification for selecting data, and the assumptions made to assure that the conceptual and numerical geochemical models are reasonably conservative (i.e., bias the recommended input values to reflect conditions that will tend to predict the maximum risk to the hypothetical recipient). This document provides 1088 input parameters for geochemical parameters describing transport processes for 64 elements (>740 radioisotopes) potentially occurring within eight subsurface disposal or tank closure areas: Slit Trenches (ST), Engineered Trenches (ET), Low Activity Waste Vault (LAWV), Intermediate Level (ILV) Vaults, Naval Reactor Component Disposal Areas (NRCDA), Components-in-Grout (CIG) Trenches, Saltstone Facility, and Closed Liquid Waste Tanks. The geochemical parameters described here are the distribution coefficient, Kd value, apparent solubility concentration, k s value, and the cementitious leachate impact factor.« less

Reactive transport modeling at uranium in situ recovery sites: uncertainties in uranium sorption on iron hydroxides

USGS Publications Warehouse

Johnson, Raymond H.; Tutu, Hlanganani; Brown, Adrian; Figueroa, Linda; Wolkersdorfer, Christian

2013-01-01

Geochemical changes that can occur down gradient from uranium in situ recovery (ISR) sites are important for various stakeholders to understand when evaluating potential effects on surrounding groundwater quality. If down gradient solid-phase material consists of sandstone with iron hydroxide coatings (no pyrite or organic carbon), sorption of uranium on iron hydroxides can control uranium mobility. Using one-dimensional reactive transport models with PHREEQC, two different geochemical databases, and various geochemical parameters, the uncertainties in uranium sorption on iron hydroxides are evaluated, because these oxidized zones create a greater risk for future uranium transport than fully reduced zones where uranium generally precipitates.

Preliminary study of a potential CO2 reservoir area in Hungary

NASA Astrophysics Data System (ADS)

Sendula, Eszter; Király, Csilla; Szabó, Zsuzsanna; Falus, György; Szabó, Csaba; Kovács, István; Füri, Judit; Kónya, Péter; Páles, Mariann; Forray, Viktória

2014-05-01

Since the first international agreement in 1997 (the Kyoto Protocol) the reduction of greenhouse gas emission has a key role in the European Union's energy and climate change policy. Following the Directive 2009/31/EC we are experiencing a significant change in the Hungarian national activity. Since the harmonization procedure, which was completed in May 2012, the national regulation obligates the competent authority to collect and regularly update all geological complexes that are potential for CO2 geological storage. In Hungary the most abundant potential storage formations are mostly saline aquifers of the Great Hungarian Plain (SE-Hungary), with sandstone reservoir and clayey caprock. The Neogene basin of the Great Hungarian Plain was subsided and then filled by a prograding delta system from NW and NE during the Late Miocene, mostly in the Pannonian time. The most potential storage rock was formed as a fine-grained sandy turbidite interlayered by thin argillaceous beds in the deepest part of the basin. It has relatively high porosity, depth and more than 1000 m thickness. Providing a regional coverage for the sandy turbidite, a 400-500 m thick argillaceous succession was formed in the slope environment. The composition, thickness and low permeability is expected to make it a suitable, leakage-safe caprock of the storage system. This succession is underlain by argillaceous rocks that were formed in the basin, far from sediment input and overlain by interfingering siltstone, sandstone and claystone succession formed in delta and shoreline environments and in the alluvial plain. Core samples have been collected from the potential reservoir rock and its cap rock in the Great Hungarian Plain's succession. The water compositions of the studied depth were known from well-log database. Using the information, acquired from these archive documents, we have constructed input data for geochemical modeling in order to to study the effect of pCO2 injection in the potential CO2 storage environment. From the potential reservoir rock samples (sandstone) thin sections were prepared to determine the mineral composition, pore distribution, pore geometry and grain size. The volume ratio of the minerals was calculated using pixel counter. To have more accurate mineral composition, petrographic observation and SEM analyzes have been carried out. The caprock samples involved in the study can be divided into mudstone and aleurolite samples. To determine the mineral composition of these samples, XRD, DTA, FTIR, SEM analysis has been carried out. To obtain a picture about the geochemical behavior of the potential CO2 storage system, geochemical models were made for the reservoir rocks. For the equilibrium geochemical model, PHREEQC 3.0 was used applying LLNL database. The data used in the model are real pore water compositions from the studied area and an average mineral composition based on petrographic microscope and SEM images. In the model we considered the cation-anion ratio (<10%) and the partial pressure of CO2. First of all, we were interested in the direction of the geochemical reactions during an injection process. Present work is focused on the mineralogy of the most potential storage rock and its caprock, and their expectable geochemical reactions for the effect of scCO2.

Status of volcanic hazard studies for the Nevada Nuclear Waste Storage Investigations. Volume II

DOE Office of Scientific and Technical Information (OSTI.GOV)

Crowe, B.M.; Wohletz, K.H.; Vaniman, D.T.

1986-01-01

Volcanic hazard investigations during FY 1984 focused on five topics: the emplacement mechanism of shallow basalt intrusions, geochemical trends through time for volcanic fields of the Death Valley-Pancake Range volcanic zone, the possibility of bimodal basalt-rhyolite volcanism, the age and process of enrichment for incompatible elements in young basalts of the Nevada Test Site (NTS) region, and the possibility of hydrovolcanic activity. The stress regime of Yucca Mountain may favor formation of shallow basalt intrusions. However, combined field and drill-hole studies suggest shallow basalt intrusions are rare in the geologic record of the southern Great Basin. The geochemical patterns ofmore » basaltic volcanism through time in the NTS region provide no evidence for evolution toward a large-volume volcanic field or increases in future rates of volcanism. Existing data are consistent with a declining volcanic system comparable to the late stages of the southern Death Valley volcanic field. The hazards of bimodal volcanism in this area are judged to be low. The source of a 6-Myr pumice discovered in alluvial deposits of Crater Flat has not been found. Geochemical studies show that the enrichment of trace elements in the younger rift basalts must be related to an enrichment of their mantle source rocks. This geochemical enrichment event, which may have been metasomatic alteration, predates the basalts of the silicic episode and is, therefore, not a young event. Studies of crater dimensions of hydrovolcanic landforms indicate that the worst case scenario (exhumation of a repository at Yucca Mountain by hydrovolcanic explosions) is unlikely. Theoretical models of melt-water vapor explosions, particularly the thermal detonation model, suggest hydrovolcanic explosion are possible at Yucca Mountain. 80 refs., 21 figs., 5 tabs.« less

From mantle peridotites to hybrid troctolites: Textural, structural and geochemical evolution during multi-stage melt-rock interaction history

NASA Astrophysics Data System (ADS)

Basch, V.; Rampone, E.; Crispini, L.; Ferrando, C.; Ildefonse, B.; Godard, M.

2017-12-01

Recent studies investigate the replacive formation of hybrid troctolites from mantle peridotites after multiple stages of melt-rock reactions. However, none of these studies are conducted in a field-controlled geological setting displaying the clear evolution from peridotite to dunite to troctolite. We investigated the Mt.Maggiore and Erro Tobbio ophiolitic peridotites. They both preserve structural and chemical records of two distinct melt-rock interaction stages, from a reactive melt percolation at spinel facies to plagioclase-bearing melt impregnation at shallower lithospheric depths. We performed EBSD and in situ geochemical analyses to document the textural, structural and geochemical variations of the olivine matrix during melt-rock interactions and the associated evolution from peridotite to dunite to troctolite. The olivine-saturated reactive melt percolation leads to the dissolution of mantle pyroxenes in peridotite, and to the formation of replacive dunite. At shallower level, melt impregnation leads to the crystallization of plagioclase in the dunite, and to the formation of hybrid troctolite. The latter is characterized by textural, structural and geochemical features acquired during dunitization and impregnation processes. We documented a textural evolution of the olivine matrix (decrease in grain area, tortuosity and aspect ratio) during impregnation, with a progressive corrosion of mantle olivines by a reactive melt. As a result, olivine in the hybrid troctolites occurs both as coarse deformed relicts and disrupted undeformed grains. During melt-rock interactions, the variation in olivine Crystallographic Preferred Orientation is related to the local melt/rock ratio involved in the percolation process. At high melt/rock ratio, a change from axial-[100] to axial-[010] is observed, with the disaggregation of the solid matrix. REE-enriched compositions are observed in olivine of dunites and troctolites. A geochemical modeling of melt-rock interactions (Plate Model) fits the observed evolution of modal composition with the measured trace element composition variability. The combined field, structural, and geochemical investigation of the evolution from a mantle protolith to the product of the reactions truly supports the hybrid origin of an olivine-rich troctolite.

Mercury Slovenian soils: High, medium and low sample density geochemical maps

NASA Astrophysics Data System (ADS)

Gosar, Mateja; Šajn, Robert; Teršič, Tamara

2017-04-01

Regional geochemical survey was conducted in whole territory of Slovenia (20273 km2). High, medium and low sample density surveys were compared. High sample density represented the regional geochemical data set supplemented by local high-density sampling data (irregular grid, n=2835). Medium-density soil sampling was performed in a 5 x 5 km grid (n=817) and low-density geochemical survey was conducted in a sampling grid 25 x 25 km (n=54). Mercury distribution in Slovenian soils was determined with models of mercury distribution in soil using all three data sets. A distinct Hg anomaly in western part of Slovenia is evident on all three models. It is a consequence of 500-years of mining and ore processing in the second largest mercury mine in the world, the Idrija mine. The determined mercury concentrations revealed an important difference between the western and the eastern parts of the country. For the medium scale geochemical mapping is the median value (0.151 mg /kg) for western Slovenia almost 2-fold higher than the median value (0.083 mg/kg) in eastern Slovenia. Besides the Hg median for the western part of Slovenia exceeds the Hg median for European soil by a factor of 4 (Gosar et al., 2016). Comparing these sample density surveys, it was shown that high sampling density allows the identification and characterization of anthropogenic influences on a local scale, while medium- and low-density sampling reveal general trends in the mercury spatial distribution, but are not appropriate for identifying local contamination in industrial regions and urban areas. The resolution of the pattern generated is the best when the high-density survey on a regional scale is supplemented with the geochemical data of the high-density surveys on a local scale. References: Gosar, M, Šajn, R, Teršič, T. Distribution pattern of mercury in the Slovenian soil: geochemical mapping based on multiple geochemical datasets. Journal of geochemical exploration, 2016, 167/38-48.

Predictions of hydrothermal alteration within near-ridge oceanic crust from coordinated geochemical and fluid flow models

USGS Publications Warehouse

Wetzel, L.R.; Raffensperger, Jeff P.; Shock, E.L.

2001-01-01

Coordinated geochemical and hydrological calculations guide our understanding of the composition, fluid flow patterns, and thermal structure of near-ridge oceanic crust. The case study presented here illustrates geochemical and thermal changes taking place as oceanic crust ages from 0.2 to 1.0 Myr. Using a finite element code, we model fluid flow and heat transport through the upper few hundred meters of an abyssal hill created at an intermediate spreading rate. We use a reaction path model with a customized database to calculate equilibrium fluid compositions and mineral assemblages of basalt and seawater at 500 bars and temperatures ranging from 150 to 400??C. In one scenario, reaction path calculations suggest that volume increases on the order of 10% may occur within portions of the basaltic basement. If this change in volume occurred, it would be sufficient to fill all primary porosity in some locations, effectively sealing off portions of the oceanic crust. Thermal profiles resulting from fluid flow simulations indicate that volume changes along this possible reaction path occur primarily within the first 0.4 Myr of crustal aging. ?? 2001 Elsevier Science B.V. All rights reserved.

Arsenic concentrations, related environmental factors, and the predicted probability of elevated arsenic in groundwater in Pennsylvania

USGS Publications Warehouse

Gross, Eliza L.; Low, Dennis J.

2013-01-01

Logistic regression models were created to predict and map the probability of elevated arsenic concentrations in groundwater statewide in Pennsylvania and in three intrastate regions to further improve predictions for those three regions (glacial aquifer system, Gettysburg Basin, Newark Basin). Although the Pennsylvania and regional predictive models retained some different variables, they have common characteristics that can be grouped by (1) geologic and soils variables describing arsenic sources and mobilizers, (2) geochemical variables describing the geochemical environment of the groundwater, and (3) locally specific variables that are unique to each of the three regions studied and not applicable to statewide analysis. Maps of Pennsylvania and the three intrastate regions were produced that illustrate that areas most at risk are those with geology and soils capable of functioning as an arsenic source or mobilizer and geochemical groundwater conditions able to facilitate redox reactions. The models have limitations because they may not characterize areas that have localized controls on arsenic mobility. The probability maps associated with this report are intended for regional-scale use and may not be accurate for use at the field scale or when considering individual wells.

Resolving the Multi-scale Behavior of Geochemical Weathering in the Critical Zone Using High Resolution Hydro-geochemical Models

NASA Astrophysics Data System (ADS)

Pandey, S.; Rajaram, H.

2015-12-01

This work investigates hydrologic and geochemical interactions in the Critical Zone (CZ) using high-resolution reactive transport modeling. Reactive transport models can be used to predict the response of geochemical weathering and solute fluxes in the CZ to changes in a dynamic environment, such as those pertaining to human activities and climate change in recent years. The scales of hydrology and geochemistry in the CZ range from days to eons in time and centimeters to kilometers in space. Here, we present results of a multi-dimensional, multi-scale hydro-geochemical model to investigate the role of subsurface heterogeneity on the formation of mineral weathering fronts in the CZ, which requires consideration of many of these spatio-temporal scales. The model is implemented using the reactive transport code PFLOTRAN, an open source subsurface flow and reactive transport code that utilizes parallelization over multiple processing nodes and provides a strong framework for simulating weathering in the CZ. The model is set up to simulate weathering dynamics in the mountainous catchments representative of the Colorado Front Range. Model parameters were constrained based on hydrologic, geochemical, and geophysical observations from the Boulder Creek Critical Zone Observatory (BcCZO). Simulations were performed in fractured rock systems and compared with systems of heterogeneous and homogeneous permeability fields. Tracer simulations revealed that the mean residence time of solutes was drastically accelerated as fracture density increased. In simulations that include mineral reactions, distinct signatures of transport limitations on weathering arose when discrete flow paths were included. This transport limitation was related to both advective and diffusive processes in the highly heterogeneous systems (i.e. fractured media and correlated random permeability fields with σlnk > 3). The well-known time-dependence of mineral weathering rates was found to be the most pronounced in the fractured systems, with a departure from the maximum system-averaged dissolution rate occurring after ~100 kyr followed by a gradual decrease in the reaction rate with time that persists beyond 104 kyr.

A geochemical and geophysical reappraisal to the significance of the recent unrest at Campi Flegrei caldera (Southern Italy)

NASA Astrophysics Data System (ADS)

Moretti, Roberto; De Natale, Giuseppe; Troise, Claudia

2017-04-01

Volcanic unrest at calderas involve complex interaction between magma, hydrothermal fluids and crustal stress and strain. Campi Flegrei caldera (CFc), located in the Naples (Italy) area and characterised by the highest volcanic risk on Earth for the extreme urbanisation, undergoes unrest phenomena involving several meters of uplift and intense shallow micro-seismicity since several decades. Despite unrest episodes display in the last decade only moderate ground deformation and seismicity, current interpretations of geochemical data point to a highly pressurized hydrothermal system. We show that at CFc, the usual assumption of vapour-liquid coexistence in the fumarole plumes leads to largely overestimated hydrothermal pressures and, accordingly, interpretations of elevated unrest. By relaxing unconstrained geochemical assumptions, we infer an alternative model yielding better agreement between geophysical and geochemical observations. The model reconciles discrepancies between what observed 1) for two decades since the 1982-84 large unrest, when shallow magma was supplying heat and fluids to the hydrothermal system, and 2) in the last decade. Compared to the 1980's unrest, the post-2005 phenomena are characterized by much lower aquifers overpressure and magmatic involvement, as indicated by geophysical data and despite large changes in geochemical indicators. Our interpretation points out a model in which shallow sills, intruded during 1969-1984, have completely cooled, so that fumarole emissions are affected now by deeper, CO2-richer, magmatic gases producing a relatively modest heating and overpressure of the hydrothermal system. Our results do have important implications on the short-term eruption hazard assessment and on the best strategies for monitoring and interpreting geochemical data.

A Quantitative Geochemical Target for Modeling the Formation of the Earth and Moon

NASA Technical Reports Server (NTRS)

Boyce, Jeremy W.; Barnes, Jessica J.; McCubbin, Francis M.

2017-01-01

The past decade has been one of geochemical, isotopic, and computational advances that are bringing the laboratory measurements and computational modeling neighborhoods of the Earth-Moon community to ever closer proximity. We are now however in the position to become even better neighbors: modelers can generate testable hypthotheses for geochemists; and geochemists can provide quantitive targets for modelers. Here we present a robust example of the latter based on Cl isotope measurements of mare basalts.

The use of multifractal modelling for targeting resources from soil and stream geochemistry data: the case of the Variscan basement of the Iberian Peninsula

NASA Astrophysics Data System (ADS)

Gonçalves, Mario; Mateus, Antonio

2016-04-01

The safeguarding of access/use of many critical raw materials for Society requires that much of previously dismissed areas for exploration must be re-evaluated with new criteria in which the significance of "anomaly" should not be treated independently of the geochemical signals of the ore-forming processes and how the different chemical elements are interrelated. For much of the previous decade, several multifractal methods were methodically being refined as automatic tools to analyze and detect geochemical anomalies. These included the early concentration-area method (Cheng et al., 1994), singularity mapping (Cheng, 2007), and spectrum-area (Cheng et al., 2000), which has been recently combined with the bi-dimensional empirical mode decomposition (Xu et al., 2016) as a tool to separate different contributing sources of an otherwise complex geochemical pattern. We propose yet another approach, the use of geochemical indexes, which links to the geological and ore-forming processes known to define a given region in order to assess much of these numerical approaches. Therefore, we picked several areas from the Variscan basement in Portugal, with different geologic and metallogentic contexts, some of them previously analyzed with multifractal methods (Gonçalves et al., 2001; Jesus et al., 2013) and a multi-element geochemical campaign on which to test the different multifractal methods combined with the geochemical indexes, as an advantageous alternative to principal component mapping, for example. Some preliminary essays with stochastic models similar to those reported in Gonçalves (2001) and Agterberg (2007), with different overprinted pulses are presented as well. Acknowledgments: This is a contribution from UID/GEO/50019/2013 - Instituto Dom Luiz, supported by FCT. Agterberg, 2007, Math. Geol., 39, 1. Cheng et al, 1994, J. Geochem. Explor., 51, 109. Cheng et al., 2000, Nat. Resour. Res, 9, 43. Cheng, 2007, Ore Geol. Rev., 32, 314. Gonçalves, 2001, Math. Geol., 33, 41. Gonçalves et al., 2001, J. Geochem. Explor., 72, 91. Jesus et al., 2013, J. Geochem. Explor., 126-127, 23. Xu et al., 2016, J. Geochem. Explor., in press

Pattern recognition analysis and classification modeling of selenium-producing areas

USGS Publications Warehouse

Naftz, D.L.

1996-01-01

Established chemometric and geochemical techniques were applied to water quality data from 23 National Irrigation Water Quality Program (NIWQP) study areas in the Western United States. These techniques were applied to the NIWQP data set to identify common geochemical processes responsible for mobilization of selenium and to develop a classification model that uses major-ion concentrations to identify areas that contain elevated selenium concentrations in water that could pose a hazard to water fowl. Pattern recognition modeling of the simple-salt data computed with the SNORM geochemical program indicate three principal components that explain 95% of the total variance. A three-dimensional plot of PC 1, 2 and 3 scores shows three distinct clusters that correspond to distinct hydrochemical facies denoted as facies 1, 2 and 3. Facies 1 samples are distinguished by water samples without the CaCO3 simple salt and elevated concentrations of NaCl, CaSO4, MgSO4 and Na2SO4 simple salts relative to water samples in facies 2 and 3. Water samples in facies 2 are distinguished from facies 1 by the absence of the MgSO4 simple salt and the presence of the CaCO3 simple salt. Water samples in facies 3 are similar to samples in facies 2, with the absence of both MgSO4 and CaSO4 simple salts. Water samples in facies 1 have the largest selenium concentration (10 ??gl-1), compared to a median concentration of 2.0 ??gl-1 and less than 1.0 ??gl-1 for samples in facies 2 and 3. A classification model using the soft independent modeling by class analogy (SIMCA) algorithm was constructed with data from the NIWQP study areas. The classification model was successful in identifying water samples with a selenium concentration that is hazardous to some species of water-fowl from a test data set comprised of 2,060 water samples from throughout Utah and Wyoming. Application of chemometric and geochemical techniques during data synthesis analysis of multivariate environmental databases from other national-scale environmental programs such as the NIWQP could also provide useful insights for addressing 'real world' environmental problems.

Statistical analysis of soil geochemical data to identify pathfinders associated with mineral deposits: An example from the Coles Hill uranium deposit, Virginia, USA

USGS Publications Warehouse

Levitan, Denise M.; Zipper, Carl E.; Donovan, Patricia; Schreiber, Madeline E.; Seal, Robert; Engle, Mark A.; Chermak, John A.; Bodnar, Robert J.; Johnson, Daniel K.; Aylor, Joseph G.

2015-01-01

Soil geochemical anomalies can be used to identify pathfinders in exploration for ore deposits. In this study, compositional data analysis is used with multivariate statistical methods to analyse soil geochemical data collected from the Coles Hill uranium deposit, Virginia, USA, to identify pathfinders associated with this deposit. Elemental compositions and relationships were compared between the collected Coles Hill soil and reference soil samples extracted from a regional subset of a national-scale geochemical survey. Results show that pathfinders for the Coles Hill deposit include light rare earth elements (La and Ce), which, when normalised by their Al content, are correlated with U/Al, and elevated Th/Al values, which are not correlated with U/Al, supporting decoupling of U from Th during soil generation. These results can be used in genetic and weathering models of the Coles Hill deposit, and can also be applied to future prospecting for similar U deposits in the eastern United States, and in regions with similar geological/climatic conditions.

Segmentation of singularity maps in the context of soil porosity

NASA Astrophysics Data System (ADS)

Martin-Sotoca, Juan J.; Saa-Requejo, Antonio; Grau, Juan; Tarquis, Ana M.

2016-04-01

Geochemical exploration have found with increasingly interests and benefits of using fractal (power-law) models to characterize geochemical distribution, including concentration-area (C-A) model (Cheng et al., 1994; Cheng, 2012) and concentration-volume (C-V) model (Afzal et al., 2011) just to name a few examples. These methods are based on the singularity maps of a measure that at each point define areas with self-similar properties that are shown in power-law relationships in Concentration-Area plots (C-A method). The C-A method together with the singularity map ("Singularity-CA" method) define thresholds that can be applied to segment the map. Recently, the "Singularity-CA" method has been applied to binarize 2D grayscale Computed Tomography (CT) soil images (Martin-Sotoca et al, 2015). Unlike image segmentation based on global thresholding methods, the "Singularity-CA" method allows to quantify the local scaling property of the grayscale value map in the space domain and determinate the intensity of local singularities. It can be used as a high-pass-filter technique to enhance high frequency patterns usually regarded as anomalies when applied to maps. In this work we will put special attention on how to select the singularity thresholds in the C-A plot to segment the image. We will compare two methods: 1) cross point of linear regressions and 2) Wavelets Transform Modulus Maxima (WTMM) singularity function detection. REFERENCES Cheng, Q., Agterberg, F. P. and Ballantyne, S. B. (1994). The separation of geochemical anomalies from background by fractal methods. Journal of Geochemical Exploration, 51, 109-130. Cheng, Q. (2012). Singularity theory and methods for mapping geochemical anomalies caused by buried sources and for predicting undiscovered mineral deposits in covered areas. Journal of Geochemical Exploration, 122, 55-70. Afzal, P., Fadakar Alghalandis, Y., Khakzad, A., Moarefvand, P. and Rashidnejad Omran, N. (2011) Delineation of mineralization zones in porphyry Cu deposits by fractal concentration-volume modeling. Journal of Geochemical Exploration, 108, 220-232. Martín-Sotoca, J. J., Tarquis, A. M., Saa-Requejo, A. and Grau, J. B. (2015). Pore detection in Computed Tomography (CT) soil images through singularity map analysis. Oral Presentation in PedoFract VIII Congress (June, La Coruña - Spain).

A geochemical examination of humidity cell tests

USGS Publications Warehouse

Maest, Ann; Nordstrom, D. Kirk

2017-01-01

Humidity cell tests (HCTs) are long-term (20 to >300 weeks) leach tests that are considered by some to be the among the most reliable geochemical characterization methods for estimating the leachate quality of mined materials. A number of modifications have been added to the original HCT method, but the interpretation of test results varies widely. We suggest that the HCTs represent an underutilized source of geochemical data, with a year-long test generating approximately 2500 individual chemical data points. The HCT concentration peaks and valleys can be thought of as a “chromatogram” of reactions that may occur in the field, whereby peaks in concentrations are associated with different geochemical processes, including sulfate salt dissolution, sulfide oxidation, and dissolution of rock-forming minerals, some of which can neutralize acid. Some of these reactions occur simultaneously, some do not, and geochemical modeling can be used to help distinguish the dominant processes. Our detailed examination, including speciation and inverse modeling, of HCTs from three projects with different geology and mineralization shows that rapid sulfide oxidation dominates over a limited period of time that starts between 40 and 200 weeks of testing. The applicability of laboratory tests results to predicting field leachate concentrations, loads, or rates of reaction has not been adequately demonstrated, although early flush releases and rapid sulfide oxidation rates in HCTs should have some relevance to field conditions. Knowledge of possible maximum solute concentrations is needed to design effective treatment and mitigation approaches. Early flush and maximum sulfide oxidation results from HCTs should be retained and used in environmental models. Factors that complicate the use of HCTs include: sample representation, time for microbial oxidizers to grow, sample storage before testing, geochemical reactions that add or remove constituents, and the HCT results chosen for use in modeling the environmental performance at mine sites. Improved guidance is needed for more consistent interpretation and use of HCT results that rely on identifying: the geochemical processes; the mineralogy, including secondary mineralogy; the available surface area for reactions; and the influence of hydrologic processes on leachate concentrations in runoff, streams, and groundwater.

Geochemical modeling of iron, sulfur, oxygen and carbon in a coastal plain aquifer

NASA Astrophysics Data System (ADS)

Brown, C. J.; Schoonen, M. A. A.; Candela, J. L.

2000-11-01

Fe(III) reduction in the Magothy aquifer of Long Island, NY, results in high dissolved-iron concentrations that degrade water quality. Geochemical modeling was used to constrain iron-related geochemical processes and redox zonation along a flow path. The observed increase in dissolved inorganic carbon is consistent with the oxidation of sedimentary organic matter coupled to the reduction of O 2 and SO 42- in the aerobic zone, and to the reduction of SO 42- in the anaerobic zone; estimated rates of CO 2 production through reduction of Fe(III) were relatively minor by comparison. The rates of CO 2 production calculated from dissolved inorganic carbon mass transfer (2.55×10 -4 to 48.6×10 -4 mmol l -1 yr-1) generally were comparable to the calculated rates of CO 2 production by the combined reduction of O 2, Fe(III) and SO 42- (1.31×10 -4 to 15×10 -4 mmol l -1 yr-1). The overall increase in SO 42- concentrations along the flow path, together with the results of mass-balance calculations, and variations in δ34S values along the flow path indicate that SO 42- loss through microbial reduction is exceeded by SO 42- gain through diffusion from sediments and through the oxidation of FeS 2. Geochemical and microbial data on cores indicate that Fe(III) oxyhydroxide coatings on sediment grains in local, organic carbon- and SO 42--rich zones have been depleted by microbial reduction and resulted in localized SO 42--reducing zones in which the formation of iron disulfides decreases dissolved iron concentrations. These localized zones of SO 42- reduction, which are important for assessing zones of low dissolved iron for water-supply development, could be overlooked by aquifer studies that rely only on groundwater data from well-water samples for geochemical modeling.

Geochemical Constraints on the Size of the Moon-Forming Giant Impact

NASA Astrophysics Data System (ADS)

Piet, Hélène; Badro, James; Gillet, Philippe

2017-12-01

Recent models involving the Moon-forming giant impact hypothesis have managed to reproduce the striking isotopic similarity between the two bodies, albeit using two extreme models: one involves a high-energy small impactor that makes the Moon out of Earth's proto-mantle; the other supposes a gigantic collision between two half-Earths creating the Earth-Moon system from both bodies. Here we modeled the geochemical influence of the giant impact on Earth's mantle and found that impactors larger than 15% of Earth mass result in mantles always violating the present-day concentrations of four refractory moderately siderophile trace elements (Ni, Co, Cr, and V). In the aftermath of the impact, our models cannot further discriminate between a fully and a partially molten bulk silicate Earth. Then, the preservation of primordial geochemical reservoirs predating the Moon remains the sole argument against a fully molten mantle after the Moon-forming impact.

Selected Geochemical Data for Modeling Near-Surface Processes in Mineral Systems

USGS Publications Warehouse

Giles, Stuart A.; Granitto, Matthew; Eppinger, Robert G.

2009-01-01

The database herein was initiated, designed, and populated to collect and integrate geochemical, geologic, and mineral deposit data in an organized manner to facilitate geoenvironmental mineral deposit modeling. The Microsoft Access database contains data on a variety of mineral deposit types that have variable environmental effects when exposed at the ground surface by mining or natural processes. The data tables describe quantitative and qualitative geochemical analyses determined by 134 analytical laboratory and field methods for over 11,000 heavy-mineral concentrate, rock, sediment, soil, vegetation, and water samples. The database also provides geographic information on geology, climate, ecoregion, and site contamination levels for over 3,000 field sites in North America.

Modeling porosity reductions caused by mineral fouling in continuous-wall permeable reactive barriers.

PubMed

Li, Lin; Benson, Craig H; Lawson, Elizabeth M

2006-02-01

A study was conducted to assess key factors to include when modeling porosity reductions caused by mineral fouling in permeable reactive barriers (PRBs) containing granular zero valent iron. The public domain codes MODFLOW and RT3D were used and a geochemical algorithm was developed for RT3D to simulate geochemical reactions occurring in PRBs. Results of simulations conducted with the model show that the largest porosity reductions occur between the entrance and mid-plane of the PRB as a result of precipitation of carbonate minerals and that smaller porosity reductions occur between the mid-plane and exit face due to precipitation of ferrous hydroxide. These findings are consistent with field and laboratory observations, as well as modeling predictions made by others. Parametric studies were conducted to identify the most important variables to include in a model evaluating porosity reduction. These studies showed that three minerals (CaCO3, FeCO3, and Fe(OH)2 (am)) account for more than 99% of the porosity reductions that were predicted. The porosity reduction is sensitive to influent concentrations of HCO3-, Ca2+, CO3(2-), and dissolved oxygen, the anaerobic iron corrosion rate, and the rates of CaCO3 and FeCO3 formation. The predictions also show that porosity reductions in PRBs can be spatially variable and mineral forming ions penetrate deeper into the PRB as a result of flow heterogeneities, which reflects the balance between the rate of mass transport and geochemical reaction rates. Level of aquifer heterogeneity and the contrast in hydraulic conductivity between the aquifer and PRB are the most important hydraulic variables affecting porosity reduction. Spatial continuity of aquifer hydraulic conductivity is less significant.

Hydrogeochemical zonation in intertidal salt marsh sediments: evidence of positive plant-soil feedback?

NASA Astrophysics Data System (ADS)

Moffett, K. B.; Dittmar, J.; Seyfferth, A.; Fendorf, S.; Gorelick, S.

2012-12-01

Surface and subsurface environments are linked by the biogeochemical activity in near-surface sediment and by the hydrological fluxes that mobilize its reagents and products. A particularly dynamic and interesting setting to study near-surface hydrogeochemistry is the intertidal zone. Here, the very strong tidal hydraulic forcing is often thought to dominate water and solute transport. However, we demonstrated the importance of two additional subsurface drivers: groundwater flow and plant root water uptake. A high-resolution, coupled surface water-groundwater model of an intertidal salt marsh in San Francisco Bay, CA showed that these three drivers vary over different spatial scales: tidal flooding varies over 10's of meters; groundwater flow varies over meters, particularly within channel banks; and plant root water uptake varies in 3D at the sub-meter scale. Expanding on this third driver, we investigated whether the spatial variations in soil-water-plant hydraulic interactions that occur due to vegetation zonation also cause distinct geochemical zonation in salt marsh sediment pore waters. The existence of such geochemical zonation was verified and mapped by detailed field observations of the chemical composition of sediments, pore waters, surface waters, and vegetation. The field data and the coupled hydrologic model were then further analyzed to evaluate potential causal mechanisms for the geochemical zonation, including testing the hypothesis that the vegetation affects pore water geochemistry via a positive feedback beneficial to itself. If further supported by future studies, this geochemical feedback may complement known physical ecosystem engineering mechanisms to help stabilize and organize intertidal wetlands.

Hydro-geochemical modeling of the spatial and the temporal geochemical variations of the granitic Strengbach catchment springs (Vosges massif, France)

NASA Astrophysics Data System (ADS)

Ackerer, Julien; Chabaux, François; Lucas, Yann; Pierret, Marie Claire; Viville, Daniel; Fritz, Bertrand; Clement, Alain; Beaulieu, Emilie; Negrel, Philippe

2017-04-01

Regular analysis of the major element concentrations in waters from springs emerging on the Strengbach catchment is made for more than 20 years (OHGE, Observatoire Hydro-Géochimique de l'Environnement). These data confirm the spatial variability of geochemical characteristics of the Strengbach springs linked, at least partly, to the lithological variability of the substratum (Pierret et al., 2014). The data also indicate that at the first order, the geochemical fluxes exported from each spring are mainly linked to the spring discharges, without significant variations of the relationships linking these two parameters between 1990 and 2010. There is also no observation of significant variations for the dissolved silica and for most of the cationic concentrations with time. Only a significant decrease of the Ca concentrations is observed for the Strengbach springs from 1990 to 2010. Numerical simulations, performed with the KIRMAT hydro-geochemical code, show that such a decrease can be considered as the response in the "bedrock" of the water-rock interactions to the variations of the soil solution chemical compositions recorded over the last 20 years, marked by a significant increase of pH and decrease of Ca concentrations. In particular, the modeling results show that the Ca concentration decrease is controlled by the couple apatite/clays, and that significant modifications of the apatite dissolution rate and clay compositions occurred between 1990 and 2010. This study shows that the temporal evolution of the Strengbach spring chemistry cannot be explained by the only variations of the clay mineral compositions, i.e. a modification of the chemical composition of the precipitated clays or a modification of the ionic exchange capacity of the clay minerals, but that it is definitely the interrelations between the apatite and the clay minerals that are involved.

Modeling Anaerobic Soil Organic Carbon Decomposition in Arctic Polygon Tundra: Insights into Soil Geochemical Influences on Carbon Mineralization: Modeling Archive

DOE Data Explorer

Zheng, Jianqiu; Thornton, Peter; Painter, Scott; Gu, Baohua; Wullschleger, Stan; Graham, David

2018-06-13

This anaerobic carbon decomposition model is developed with explicit representation of fermentation, methanogenesis and iron reduction by combining three well-known modeling approaches developed in different disciplines. A pool-based model to represent upstream carbon transformations and replenishment of DOC pool, a thermodynamically-based model to calculate rate kinetics and biomass growth for methanogenesis and Fe(III) reduction, and a humic ion-binding model for aqueous phase speciation and pH calculation are implemented into the open source geochemical model PHREEQC (V3.0). Installation of PHREEQC is required to run this model.

Natural geochemical analogues of the near field of high-level nuclear waste repositories

DOE Office of Scientific and Technical Information (OSTI.GOV)

Apps, J.A.

1995-09-01

United States practice has been to design high-level nuclear waste (HLW) geological repositories with waste densities sufficiently high that repository temperatures surrounding the waste will exceed 100{degrees}C and could reach 250{degrees}C. Basalt and devitrified vitroclastic tuff are among the host rocks considered for waste emplacement. Near-field repository thermal behavior and chemical alteration in such rocks is expected to be similar to that observed in many geothermal systems. Therefore, the predictive modeling required for performance assessment studies of the near field could be validated and calibrated using geothermal systems as natural analogues. Examples are given which demonstrate the need for refinementmore » of the thermodynamic databases used in geochemical modeling of near-field natural analogues and the extent to which present models can predict conditions in geothermal fields.« less

Strategies to predict metal mobility in surficial mining environments

USGS Publications Warehouse

Smith, Kathleen S.

2007-01-01

This report presents some strategies to predict metal mobility at mining sites. These strategies are based on chemical, physical, and geochemical information about metals and their interactions with the environment. An overview of conceptual models, metal sources, and relative mobility of metals under different geochemical conditions is presented, followed by a discussion of some important physical and chemical properties of metals that affect their mobility, bioavailability, and toxicity. The physical and chemical properties lead into a discussion of the importance of the chemical speciation of metals. Finally, environmental and geochemical processes and geochemical barriers that affect metal speciation are discussed. Some additional concepts and applications are briefly presented at the end of this report.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Negus-De Wys, J.; Dixon, J. M.; Evans, M. A.

This document consists of the following papers: inorganic geochemistry studies of the Eastern Kentucky Gas Field; lithology studies of upper Devonian well cuttings in the Eastern Kentucky Gas Field; possible effects of plate tectonics on the Appalachian Devonian black shale production in eastern Kentucky; preliminary depositional model for upper Devonian Huron age organic black shale in the Eastern Kentucky Gas Field; the anatomy of a large Devonian black shale gas field; the Cottageville (Mount Alto) Gas Field, Jackson County, West Virginia: a case study of Devonian shale gas production; the Eastern Kentucky Gas Field: a geological study of the relationshipsmore » of Ohio Shale gas occurrences to structure, stratigraphy, lithology, and inorganic geochemical parameters; and a statistical analysis of geochemical data for the Eastern Kentucky Gas Field.« less

Geochemical Modeling of Reactions and Partitioning of Trace Metals and Radionuclides during Titration of Contaminated Acidic Sediments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Fan; Parker, Jack C.; Luo, Wensui

2008-01-01

Many geochemical reactions that control aqueous metal concentrations are directly affected by solution pH. However, changes in solution pH are strongly buffered by various aqueous phase and solid phase precipitation/dissolution and adsorption/desorption reactions. The ability to predict acid-base behavior of the soil-solution system is thus critical to predict metal transport under variable pH conditions. This study was undertaken to develop a practical generic geochemical modeling approach to predict aqueous and solid phase concentrations of metals and anions during conditions of acid or base additions. The method of Spalding and Spalding was utilized to model soil buffer capacity and pH-dependent cationmore » exchange capacity by treating aquifer solids as a polyprotic acid. To simulate the dynamic and pH-dependent anion exchange capacity, the aquifer solids were simultaneously treated as a polyprotic base controlled by mineral precipitation/dissolution reactions. An equilibrium reaction model that describes aqueous complexation, precipitation, sorption and soil buffering with pH-dependent ion exchange was developed using HydroGeoChem v5.0 (HGC5). Comparison of model results with experimental titration data of pH, Al, Ca, Mg, Sr, Mn, Ni, Co, and SO{sub 4}{sup 2-} for contaminated sediments indicated close agreement, suggesting that the model could potentially be used to predict the acid-base behavior of the sediment-solution system under variable pH conditions.« less

Merging metagenomics and geochemistry reveals environmental controls on biological diversity and evolution.

PubMed

Alsop, Eric B; Boyd, Eric S; Raymond, Jason

2014-05-28

The metabolic strategies employed by microbes inhabiting natural systems are, in large part, dictated by the physical and geochemical properties of the environment. This study sheds light onto the complex relationship between biology and environmental geochemistry using forty-three metagenomes collected from geochemically diverse and globally distributed natural systems. It is widely hypothesized that many uncommonly measured geochemical parameters affect community dynamics and this study leverages the development and application of multidimensional biogeochemical metrics to study correlations between geochemistry and microbial ecology. Analysis techniques such as a Markov cluster-based measure of the evolutionary distance between whole communities and a principal component analysis (PCA) of the geochemical gradients between environments allows for the determination of correlations between microbial community dynamics and environmental geochemistry and provides insight into which geochemical parameters most strongly influence microbial biodiversity. By progressively building from samples taken along well defined geochemical gradients to samples widely dispersed in geochemical space this study reveals strong links between the extent of taxonomic and functional diversification of resident communities and environmental geochemistry and reveals temperature and pH as the primary factors that have shaped the evolution of these communities. Moreover, the inclusion of extensive geochemical data into analyses reveals new links between geochemical parameters (e.g. oxygen and trace element availability) and the distribution and taxonomic diversification of communities at the functional level. Further, an overall geochemical gradient (from multivariate analyses) between natural systems provides one of the most complete predictions of microbial taxonomic and functional composition. Clustering based on the frequency in which orthologous proteins occur among metagenomes facilitated accurate prediction of the ordering of community functional composition along geochemical gradients, despite a lack of geochemical input. The consistency in the results obtained from the application of Markov clustering and multivariate methods to distinct natural systems underscore their utility in predicting the functional potential of microbial communities within a natural system based on system geochemistry alone, allowing geochemical measurements to be used to predict purely biological metrics such as microbial community composition and metabolism.

Geochemical Constraints on the Size of the Moon — Forming Giant Impact

NASA Astrophysics Data System (ADS)

Piet, H.; Badro, J.; Gillet, P.

2018-05-01

We use the partitioning of siderophile trace elements to model the geochemical influence of the Moon-forming giant impact on Earth’s mantle during core formation. We find the size of the impactor to be 15% of Earth mass or smaller.

Calculation of individual isotope equilibrium constants for implementation in geochemical models

USGS Publications Warehouse

Thorstenson, Donald C.; Parkhurst, David L.

2002-01-01

Theory is derived from the work of Urey to calculate equilibrium constants commonly used in geochemical equilibrium and reaction-transport models for reactions of individual isotopic species. Urey showed that equilibrium constants of isotope exchange reactions for molecules that contain two or more atoms of the same element in equivalent positions are related to isotope fractionation factors by , where is n the number of atoms exchanged. This relation is extended to include species containing multiple isotopes, for example and , and to include the effects of nonideality. The equilibrium constants of the isotope exchange reactions provide a basis for calculating the individual isotope equilibrium constants for the geochemical modeling reactions. The temperature dependence of the individual isotope equilibrium constants can be calculated from the temperature dependence of the fractionation factors. Equilibrium constants are calculated for all species that can be formed from and selected species containing , in the molecules and the ion pairs with where the subscripts g, aq, l, and s refer to gas, aqueous, liquid, and solid, respectively. These equilibrium constants are used in the geochemical model PHREEQC to produce an equilibrium and reaction-transport model that includes these isotopic species. Methods are presented for calculation of the individual isotope equilibrium constants for the asymmetric bicarbonate ion. An example calculates the equilibrium of multiple isotopes among multiple species and phases.

Parameter Sensitivity and Laboratory Benchmarking of a Biogeochemical Process Model for Enhanced Anaerobic Dechlorination

NASA Astrophysics Data System (ADS)

Kouznetsova, I.; Gerhard, J. I.; Mao, X.; Barry, D. A.; Robinson, C.; Brovelli, A.; Harkness, M.; Fisher, A.; Mack, E. E.; Payne, J. A.; Dworatzek, S.; Roberts, J.

2008-12-01

A detailed model to simulate trichloroethene (TCE) dechlorination in anaerobic groundwater systems has been developed and implemented through PHAST, a robust and flexible geochemical modeling platform. The approach is comprehensive but retains flexibility such that models of varying complexity can be used to simulate TCE biodegradation in the vicinity of nonaqueous phase liquid (NAPL) source zones. The complete model considers a full suite of biological (e.g., dechlorination, fermentation, sulfate and iron reduction, electron donor competition, toxic inhibition, pH inhibition), physical (e.g., flow and mass transfer) and geochemical processes (e.g., pH modulation, gas formation, mineral interactions). Example simulations with the model demonstrated that the feedback between biological, physical, and geochemical processes is critical. Successful simulation of a thirty-two-month column experiment with site soil, complex groundwater chemistry, and exhibiting both anaerobic dechlorination and endogenous respiration, provided confidence in the modeling approach. A comprehensive suite of batch simulations was then conducted to estimate the sensitivity of predicted TCE degradation to the 36 model input parameters. A local sensitivity analysis was first employed to rank the importance of parameters, revealing that 5 parameters consistently dominated model predictions across a range of performance metrics. A global sensitivity analysis was then performed to evaluate the influence of a variety of full parameter data sets available in the literature. The modeling study was performed as part of the SABRE (Source Area BioREmediation) project, a public/private consortium whose charter is to determine if enhanced anaerobic bioremediation can result in effective and quantifiable treatment of chlorinated solvent DNAPL source areas. The modelling conducted has provided valuable insight into the complex interactions between processes in the evolving biogeochemical systems, particularly at the laboratory scale.

Microbial Response in Peat Overlying Kimberlite Pipes in The Attawapiskat Area, Northern Ontario

NASA Astrophysics Data System (ADS)

Donkervoort, L. J.; Southam, G.

2009-05-01

Exploration for ore deposits occurring under thick, post-mineralized cover requires innovative methods and instrumentation [1]. Buried kimberlite pipes 'produce' geochemical conditions such as increased pH and decreased Eh in overlying peat [2] that intuitively select for bacterial populations that are best able to grow and, which in turn affect the geochemistry producing a linked signal. A microbiological study of peat was conducted over the Zulu kimberlite in the Attawapiskat area of the James Bay Lowlands to determine if the type of underlying rock influences the diversity and populations of microorganisms living in the overlying peat. Peat was sampled along an 800 m transect across the Zulu kimberlite, including samples underlain by limestone. Microbial populations and carbon source utilization patterns of peat samples were compared between the two underlying rock types. Results demonstrate an inverse relationship of increased anaerobic populations and lower biodiversity directly above the kimberlite pipe. These results support a reduced 'column' consistent with the model presented by Hamilton [3]. The combination of traditional bacterial enumeration and community- level profiling represents a cost-effective and efficient exploration technique that can serve to compliment both geophysical and geochemical surveys. [1] Goldberg (1998) J. Geochem. Explor. 61, 191-202 [2] Hattori and Hamilton (2008) Appl. Geochem. 23, 3767-3782 [3] Hamilton (1998) J. Geochem. Explor. 63, 155-172

Quantifying reactive transport processes governing arsenic mobility in a Bengal Delta aquifer

NASA Astrophysics Data System (ADS)

Rawson, Joey; Neidhardt, Harald; Siade, Adam; Berg, Michael; Prommer, Henning

2017-04-01

Over the last few decades significant progress has been made to characterize the extent and severity of groundwater arsenic pollution in S/SE Asia, and to understand the underlying geochemical processes. However, comparably little effort has been made to merge the findings from this research into quantitative frameworks that allow for a process-based quantitative analysis of observed arsenic behavior and predictions of its future fate. Therefore, this study developed and tested field-scale numerical modelling approaches to represent the primary and secondary geochemical processes associated with the reductive dissolution of Fe-oxy(hydr)oxides and the concomitant release of sorbed arsenic. We employed data from an in situ field experiment in the Bengal Delta Plain, which investigated the influence of labile organic matter (sucrose) on the mobility of Fe, Mn, and As. The data collected during the field experiment were used to guide our model development and to constrain the model parameterisation. Our results show that sucrose oxidation coupled to the reductive dissolution of Fe-oxy(hydr)oxides was accompanied by multiple secondary geochemical reactions that are not easily and uniquely identifiable and quantifiable. Those secondary reactions can explain the disparity between the observed Fe and As behavior. Our modelling results suggest that a significant fraction of the released As is scavenged through (co-)precipitation with newly formed Fe-minerals, specifically magnetite, rather than through sorption to pre-existing and freshly precipitated iron minerals.

Surrogate model approach for improving the performance of reactive transport simulations

NASA Astrophysics Data System (ADS)

Jatnieks, Janis; De Lucia, Marco; Sips, Mike; Dransch, Doris

2016-04-01

Reactive transport models can serve a large number of important geoscientific applications involving underground resources in industry and scientific research. It is common for simulation of reactive transport to consist of at least two coupled simulation models. First is a hydrodynamics simulator that is responsible for simulating the flow of groundwaters and transport of solutes. Hydrodynamics simulators are well established technology and can be very efficient. When hydrodynamics simulations are performed without coupled geochemistry, their spatial geometries can span millions of elements even when running on desktop workstations. Second is a geochemical simulation model that is coupled to the hydrodynamics simulator. Geochemical simulation models are much more computationally costly. This is a problem that makes reactive transport simulations spanning millions of spatial elements very difficult to achieve. To address this problem we propose to replace the coupled geochemical simulation model with a surrogate model. A surrogate is a statistical model created to include only the necessary subset of simulator complexity for a particular scenario. To demonstrate the viability of such an approach we tested it on a popular reactive transport benchmark problem that involves 1D Calcite transport. This is a published benchmark problem (Kolditz, 2012) for simulation models and for this reason we use it to test the surrogate model approach. To do this we tried a number of statistical models available through the caret and DiceEval packages for R, to be used as surrogate models. These were trained on randomly sampled subset of the input-output data from the geochemical simulation model used in the original reactive transport simulation. For validation we use the surrogate model to predict the simulator output using the part of sampled input data that was not used for training the statistical model. For this scenario we find that the multivariate adaptive regression splines (MARS) method provides the best trade-off between speed and accuracy. This proof-of-concept forms an essential step towards building an interactive visual analytics system to enable user-driven systematic creation of geochemical surrogate models. Such a system shall enable reactive transport simulations with unprecedented spatial and temporal detail to become possible. References: Kolditz, O., Görke, U.J., Shao, H. and Wang, W., 2012. Thermo-hydro-mechanical-chemical processes in porous media: benchmarks and examples (Vol. 86). Springer Science & Business Media.

Restoration of Circum-Arctic Upper Jurassic source rock paleolatitude based on crude oil geochemistry

USGS Publications Warehouse

Peters, K.E.; Ramos, L.S.; Zumberge, J.E.; Valin, Z.C.; Scotese, C.R.

2008-01-01

Tectonic geochemical paleolatitude (TGP) models were developed to predict the paleolatitude of petroleum source rock from the geochemical composition of crude oil. The results validate studies designed to reconstruct ancient source rock depositional environments using oil chemistry and tectonic reconstruction of paleogeography from coordinates of the present day collection site. TGP models can also be used to corroborate tectonic paleolatitude in cases where the predicted paleogeography conflicts with the depositional setting predicted by the oil chemistry, or to predict paleolatitude when the present day collection locality is far removed from the source rock, as might occur due to long distance subsurface migration or transport of tarballs by ocean currents. Biomarker and stable carbon isotope ratios were measured for 496 crude oil samples inferred to originate from Upper Jurassic source rock in West Siberia, the North Sea and offshore Labrador. First, a unique, multi-tiered chemometric (multivariate statistics) decision tree was used to classify these samples into seven oil families and infer the type of organic matter, lithology and depositional environment of each organofacies of source rock [Peters, K.E., Ramos, L.S., Zumberge, J.E., Valin, Z.C., Scotese, C.R., Gautier, D.L., 2007. Circum-Arctic petroleum systems identified using decision-tree chemometrics. American Association of Petroleum Geologists Bulletin 91, 877-913]. Second, present day geographic locations for each sample were used to restore the tectonic paleolatitude of the source rock during Late Jurassic time (???150 Ma). Third, partial least squares regression (PLSR) was used to construct linear TGP models that relate tectonic and geochemical paleolatitude, where the latter is based on 19 source-related biomarker and isotope ratios for each oil family. The TGP models were calibrated using 70% of the samples in each family and the remaining 30% of samples were used for model validation. Positive relationships exist between tectonic and geochemical paleolatitude for each family. Standard error of prediction for geochemical paleolatitude ranges from 0.9?? to 2.6?? of tectonic paleolatitude, which translates to a relative standard error of prediction in the range 1.5-4.8%. The results suggest that the observed effect of source rock paleolatitude on crude oil composition is caused by (i) stable carbon isotope fractionation during photosynthetic fixation of carbon and (ii) species diversity at different latitudes during Late Jurassic time. ?? 2008 Elsevier Ltd. All rights reserved.

Use of sediment-trace element geochemical models for the identification of local fluvial baseline concentrations

USGS Publications Warehouse

Horowitz, A.J.; Elrick, K.A.; Demas, C.R.; Demcheck, D.K.

1991-01-01

Studies have demonstrated the utility of fluvial bed sediment chemical data in assesing local water-quality conditions. However, establishing local background trace element levels can be difficult. Reference to published average concentrations or the use of dated cores are often of little use in small areas of diverse local petrology, geology, land use, or hydrology. An alternative approach entails the construction of a series of sediment-trace element predictive models based on data from environmentally diverse but unaffected areas. Predicted values could provide a measure of local background concentrations and comparison with actual measured concentrations could identify elevated trace elements and affected sites. Such a model set was developed from surface bed sediments collected nationwide in the United States. Tests of the models in a small Louisiana basin indicated that they could be used to establish local trace element background levels, but required recalibration to account for local geochemical conditions outside the range of samples used to generate the nationwide models.

Geochemical processes controlling water salinization in an irrigated basin in Spain: identification of natural and anthropogenic influence.

PubMed

Merchán, D; Auqué, L F; Acero, P; Gimeno, M J; Causapé, J

2015-01-01

Salinization of water bodies represents a significant risk in water systems. The salinization of waters in a small irrigated hydrological basin is studied herein through an integrated hydrogeochemical study including multivariate statistical analyses and geochemical modeling. The study zone has two well differentiated geologic materials: (i) Quaternary sediments of low salinity and high permeability and (ii) Tertiary sediments of high salinity and very low permeability. In this work, soil samples were collected and leaching experiments conducted on them in the laboratory. In addition, water samples were collected from precipitation, irrigation, groundwater, spring and surface waters. The waters show an increase in salinity from precipitation and irrigation water to ground- and, finally, surface water. The enrichment in salinity is related to the dissolution of soluble mineral present mainly in the Tertiary materials. Cation exchange, precipitation of calcite and, probably, incongruent dissolution of dolomite, have been inferred from the hydrochemical data set. Multivariate statistical analysis provided information about the structure of the data, differentiating the group of surface waters from the groundwaters and the salinization from the nitrate pollution processes. The available information was included in geochemical models in which hypothesis of consistency and thermodynamic feasibility were checked. The assessment of the collected information pointed to a natural control on salinization processes in the Lerma Basin with minimal influence of anthropogenic factors. Copyright © 2014 Elsevier B.V. All rights reserved.

Review of simulation techniques for Aquifer Thermal Energy Storage (ATES)

NASA Astrophysics Data System (ADS)

Mercer, J. W.; Faust, C. R.; Miller, W. J.; Pearson, F. J., Jr.

1981-03-01

The analysis of aquifer thermal energy storage (ATES) systems rely on the results from mathematical and geochemical models. Therefore, the state-of-the-art models relevant to ATES were reviewed and evaluated. These models describe important processes active in ATES including ground-water flow, heat transport (heat flow), solute transport (movement of contaminants), and geochemical reactions. In general, available models of the saturated ground-water environment are adequate to address most concerns associated with ATES; that is, design, operation, and environmental assessment. In those cases where models are not adequate, development should be preceded by efforts to identify significant physical phenomena and relate model parameters to measurable quantities.

Modeling biogechemical reactive transport in a fracture zone

DOE Office of Scientific and Technical Information (OSTI.GOV)

Molinero, Jorge; Samper, Javier; Yang, Chan Bing, and Zhang, Guoxiang

2005-01-14

A coupled model of groundwater flow, reactive solute transport and microbial processes for a fracture zone of the Aspo site at Sweden is presented. This is the model of the so-called Redox Zone Experiment aimed at evaluating the effects of tunnel construction on the geochemical conditions prevailing in a fracture granite. It is found that a model accounting for microbially-mediated geochemical processes is able to reproduce the unexpected measured increasing trends of dissolved sulfate and bicarbonate. The model is also useful for testing hypotheses regarding the role of microbial processes and evaluating the sensitivity of model results to changes inmore » biochemical parameters.« less

Preliminary Reactive Geochemical Transport Modeling Study on Changes in Water Chemistry Induced by CO2 Injection at Frio Pilot Test Site

NASA Astrophysics Data System (ADS)

Xu, T.; Kharaka, Y.; Benson, S.

2006-12-01

A total of 1600 tons of CO2 were injected into the Frio ~{!0~}C~{!1~} sandstone layer at a depth of 1500 m over a period of 10 days. The pilot, located near Dayton, Texas, employed one injection well and one observation well, separated laterally by about 30 m. Each well was perforated over 6 m in the upper portion of the 23-m thick sandstone. Fluid samples were taken from both wells before, during, and after the injection. Following CO2 breakthrough, observations indicate drops in pH (6.5 to 5.7), pronounced increases in concentrations of HCO3- (100 to 3000 mg/L), in Fe (30 to 1100), and dissolved organic carbon. Numerical modeling was used in this study to understand changes of aqueous HCO3- and Fe caused by CO2 injection. The general multiphase reactive geochemical transport simulator TOUGHREACT was used, which includes new fluid property module ECO2N with an accurate description of the thermophysical properties of mixtures of water, brine, and CO2 at conditions of interest for CO2 storage. A calibrated 1-D radial well flow model was employed for the present reactive geochemical transport simulations. Mineral composition used was taken from literatures relevant to Frio sandstone. Increases in HCO3- concentration were well reproduced by an initial simulation. Several scenarios were used to capture increases in Fe concentration including (1) dissolution of carbonate minerals, (2) dissolution of iron oxyhydroxides, (3) de-sorption of previously coated Fe. Future modeling, laboratory and field investigations are proposed to better understand the CO2-brine-mineral interactions at the Frio site. Results from this study could have broad implication for subsurface storage of CO2 and potential water quality impacts.

Improved Geothermometry Through Multivariate Reaction-path Modeling and Evaluation of Geomicrobiological Influences on Geochemical Temperature Indicators: Final Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mattson, Earl; Smith, Robert; Fujita, Yoshiko

2015-03-01

The project was aimed at demonstrating that the geothermometric predictions can be improved through the application of multi-element reaction path modeling that accounts for lithologic and tectonic settings, while also accounting for biological influences on geochemical temperature indicators. The limited utilization of chemical signatures by individual traditional geothermometer in the development of reservoir temperature estimates may have been constraining their reliability for evaluation of potential geothermal resources. This project, however, was intended to build a geothermometry tool which can integrate multi-component reaction path modeling with process-optimization capability that can be applied to dilute, low-temperature water samples to consistently predict reservoirmore » temperature within ±30 °C. The project was also intended to evaluate the extent to which microbiological processes can modulate the geochemical signals in some thermal waters and influence the geothermometric predictions.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nguyen, Ba Nghiep; Hou, Zhangshuan; Bacon, Diana H.

This paper applies a multiscale hydro-geochemical-mechanical approach to analyze faulted CO 2 reservoirs using the STOMP-CO 2-R code that is coupled to the ABAQUS® finite element package. STOMP-CO 2-R models the reactive transport of CO 2 causing mineral volume fraction changes that are captured by an Eshelby-Mori-Tanka model implemented in ABAQUS®. A three-dimensional (3D) STOMP-CO 2-R model for a reservoir containing an inclined fault was built to analyze a formation containing a reaction network with 5 minerals: albite, anorthite, calcite, kaolinite and quartz. A 3D finite element mesh that exactly maps the STOMP-CO 2-R grid is developed for coupled hydro-geochemical-mechanicalmore » analyses. The model contains alternating sandstone and shale layers. The impact of reactive transport of CO 2 on the geomechanical properties of reservoir rocks and seals are studied in terms of mineral composition changes that affect their geomechanical responses. Simulations assuming extensional and compressional stress regimes with and without coupled geochemistry are performed to study the stress regime effect on the risk of hydraulic fracture. The tendency for the fault to slip is examined in terms of stress regime, geomechanical and geochemical-mechanical effects as well as fault inclination. The results show that mineralogical changes due to long-term injection of CO 2 reduce the permeability and elastic modulus of the reservoir, leading to increased risk of hydraulic fracture in the injection location and at the caprock seal immediately above the injection zone. Fault slip is not predicted to occur. However, fault inclination and stress regime have an important impact on the slip tendency factor.« less

Geochemical survey of the Blood Mountain Roadless Area, Union and Lumpkin counties, Georgia

USGS Publications Warehouse

Koeppen, Robert P.; Nelson, Arthur E.

1989-01-01

The U.S. Geological Survey (USGS) made a reconnaissance geochemical survey of the Blood Mountain Roadless Area to search for unexposed mineral deposits which might be recognized by a geochemical signature in the abundance of distribution patterns of trace elements. Forty five fine-grained stream-sediment samples and 45 panned-concentrate samples were collected in the Blood Mountain study area (fig. 1). A.E. Nelson, in conjunction with detailed geologic mapping, collected 13 rock-chip samples for geochemical analysis, in addition to a large number of hand specimins for thin-section study. Nelson's geologic study (1983), combined with this geochemical survey, provide the basis for our mineral-resource assessment of the Blood Mountain Roadless Area (Koeppen and others, 1983).

Micromechanical Tests and Geochemical Modeling to Evaluate Evolution of Rock Alteration by CO2-Water Mixtures

NASA Astrophysics Data System (ADS)

Aman, M.; Sun, Y.; Ilgen, A.; Espinoza, N.

2015-12-01

Injection of large volumes of CO2 into geologic formations can help reduce the atmospheric CO2 concentration and lower the impact of burning fossil fuels. However, the injection of CO2 into the subsurface shifts the chemical equilibrium between the mineral assemblage and the pore fluid. This shift will situationally facilitate dissolution and reprecipitation of mineral phases, in particular intergranular cements, and can potentially affect the long term mechanical stability of the host formation. The study of these coupled chemical-mechanical reservoir rock responses can help identify and control unexpected emergent behavior associated with geological CO2 storage.Experiments show that micro-mechanical methods are useful in capturing a variety of mechanical parameters, including Young's modulus, hardness and fracture toughness. In particular, micro-mechanical measurements are well-suited for examining thin altered layers on the surfaces of rock specimens, as well as capturing variability on the scale of lithofacies. We performed indentation and scratching tests on sandstone and siltstone rocks altered in natural CO2-brine environments, as well as on analogous samples altered under high pressure, temperature, and dissolved CO2 conditions in a controlled laboratory experiment. We performed geochemical modeling to support the experimental observations, in particular to gain the insight into mineral dissolution/precipitation as a result of the rock-water-CO2reactions. The comparison of scratch measurements performed on specimens both unaltered and altered by CO2 over geologic time scales results in statistically different values for fracture toughness and scratch hardness, indicating that long term exposure to CO2 caused mechanical degradation of the reservoir rock. Geochemical modeling indicates that major geochemical change caused by CO2 invasion of Entrada sandstone is dissolution of hematite cement, and its replacement with siderite and dolomite during the alteration process.

Combining particle-tracking and geochemical data to assess public supply well vulnerability to arsenic and uranium

USGS Publications Warehouse

Hinkle, S.R.; Kauffman, L.J.; Thomas, M.A.; Brown, C.J.; McCarthy, K.A.; Eberts, S.M.; Rosen, Michael R.; Katz, B.G.

2009-01-01

Flow-model particle-tracking results and geochemical data from seven study areas across the United States were analyzed using three statistical methods to test the hypothesis that these variables can successfully be used to assess public supply well vulnerability to arsenic and uranium. Principal components analysis indicated that arsenic and uranium concentrations were associated with particle-tracking variables that simulate time of travel and water fluxes through aquifer systems and also through specific redox and pH zones within aquifers. Time-of-travel variables are important because many geochemical reactions are kinetically limited, and geochemical zonation can account for different modes of mobilization and fate. Spearman correlation analysis established statistical significance for correlations of arsenic and uranium concentrations with variables derived using the particle-tracking routines. Correlations between uranium concentrations and particle-tracking variables were generally strongest for variables computed for distinct redox zones. Classification tree analysis on arsenic concentrations yielded a quantitative categorical model using time-of-travel variables and solid-phase-arsenic concentrations. The classification tree model accuracy on the learning data subset was 70%, and on the testing data subset, 79%, demonstrating one application in which particle-tracking variables can be used predictively in a quantitative screening-level assessment of public supply well vulnerability. Ground-water management actions that are based on avoidance of young ground water, reflecting the premise that young ground water is more vulnerable to anthropogenic contaminants than is old ground water, may inadvertently lead to increased vulnerability to natural contaminants due to the tendency for concentrations of many natural contaminants to increase with increasing ground-water residence time.

Fluid-rock geochemical interaction for modelling calibration in geothermal exploration in Indonesia

NASA Astrophysics Data System (ADS)

Deon, Fiorenza; Barnhoorn, Auke; Lievens, Caroline; Ryannugroho, Riskiray; Imaro, Tulus; Bruhn, David; van der Meer, Freek; Hutami, Rizki; Sibarani, Besteba; Sule, Rachmat; Saptadij, Nenny; Hecker, Christoph; Appelt, Oona; Wilke, Franziska

2017-04-01

Indonesia with its large, but partially unexplored geothermal potential is one of the most interesting and suitable places in the world to conduct geothermal exploration research. This study focuses on geothermal exploration based on fluid-rock geochemistry/geomechanics and aims to compile an overview on geochemical data-rock properties from important geothermal fields in Indonesia. The research carried out in the field and in the laboratory is performed in the framework of the GEOCAP cooperation (Geothermal Capacity Building program Indonesia- the Netherlands). The application of petrology and geochemistry accounts to a better understanding of areas where operating power plants exist but also helps in the initial exploration stage of green areas. Because of their relevance and geological setting geothermal fields in Java, Sulawesi and the sedimentary basin of central Sumatra have been chosen as focus areas of this study. Operators, universities and governmental agencies will benefit from this approach as it will be applied also to new green-field terrains. By comparing the characteristic of the fluids, the alteration petrology and the rock geochemistry we also aim to contribute to compile an overview of the geochemistry of the important geothermal fields in Indonesia. At the same time the rock petrology and fluid geochemistry will be used as input data to model the reservoir fluid composition along with T-P parameters with the geochemical workbench PHREEQC. The field and laboratory data are mandatory for both the implementation and validation of the model results.

Quantification of CO2 generation in sedimentary basins through carbonate/clays reactions with uncertain thermodynamic parameters

NASA Astrophysics Data System (ADS)

Ceriotti, G.; Porta, G. M.; Geloni, C.; Dalla Rosa, M.; Guadagnini, A.

2017-09-01

We develop a methodological framework and mathematical formulation which yields estimates of the uncertainty associated with the amounts of CO2 generated by Carbonate-Clays Reactions (CCR) in large-scale subsurface systems to assist characterization of the main features of this geochemical process. Our approach couples a one-dimensional compaction model, providing the dynamics of the evolution of porosity, temperature and pressure along the vertical direction, with a chemical model able to quantify the partial pressure of CO2 resulting from minerals and pore water interaction. The modeling framework we propose allows (i) estimating the depth at which the source of gases is located and (ii) quantifying the amount of CO2 generated, based on the mineralogy of the sediments involved in the basin formation process. A distinctive objective of the study is the quantification of the way the uncertainty affecting chemical equilibrium constants propagates to model outputs, i.e., the flux of CO2. These parameters are considered as key sources of uncertainty in our modeling approach because temperature and pressure distributions associated with deep burial depths typically fall outside the range of validity of commonly employed geochemical databases and typically used geochemical software. We also analyze the impact of the relative abundancy of primary phases in the sediments on the activation of CCR processes. As a test bed, we consider a computational study where pressure and temperature conditions are representative of those observed in real sedimentary formation. Our results are conducive to the probabilistic assessment of (i) the characteristic pressure and temperature at which CCR leads to generation of CO2 in sedimentary systems, (ii) the order of magnitude of the CO2 generation rate that can be associated with CCR processes.

Geochemical modeling of iron, sulfur, oxygen and carbon in a coastal plain aquifer

USGS Publications Warehouse

Brown, C.J.; Schoonen, M.A.A.; Candela, J.L.

2000-01-01

Fe(III) reduction in the Magothy aquifer of Long Island, NY, results in high dissolved-iron concentrations that degrade water quality. Geochemical modeling was used to constrain iron-related geochemical processes and redox zonation along a flow path. The observed increase in dissolved inorganic carbon is consistent with the oxidation of sedimentary organic matter coupled to the reduction of O2 and SO4/2- in the aerobic zone, and to the reduction of SO4/2- in the anaerobic zone; estimated rates of CO2 production through reduction of Fe(III) were relatively minor by comparison. The rates of CO2 production calculated from dissolved inorganic carbon mass transfer (2.55 x 10-4 to 48.6 x 10-4 mmol 1-1 yr-1) generally were comparable to the calculated rates of CO2 production by the combined reduction of O2, Fe(III) and SO4/2- (1.31 x 10-4 to 15 x 10-4 mmol 1-1 yr-1). The overall increase in SO4/2- concentrations along the flow path, together with the results of mass-balance calculations, and variations in ??34S values along the flow path indicate that SO4/2- loss through microbial reduction is exceeded by SO4/2- gain through diffusion from sediments and through the oxidation of FeS2. Geochemichal and microbial data on cores indicate that Fe(III) oxyhydroxide coatings on sediment grains in local, organic carbon- and SO4/2- -rich zones have localized SO4/2- -reducing zones in which the formation of iron disulfides been depleted by microbial reduction and resulted in decreases dissolved iron concentrations. These localized zones of SO4/2- reduction, which are important for assessing zones of low dissolved iron for water-supply development, could be overlooked by aquifer studies that rely only on groundwater data from well-water samples for geochemical modeling. (C) 2000 Elsevier Science B.V.Fe(III) reduction in the Magothy aquifer of Long Island, NY, results in high dissolved-iron concentrations that degrade water quality. Geochemical modeling was used to constrain iron-related geochemical processes and redox zonation along a flow path. The observed increase in dissolved inorganic carbon is consistent with the oxidation of sedimentary organic matter coupled to the reduction of O2 and SO42- in the aerobic zone, and to the reduction of SO42- in the anaerobic zone; estimated rates of CO2 production through reduction of Fe(III) were relatively minor by comparison. The rates of CO2 production calculated from dissolved inorganic carbon mass transfer (2.55??10-4 to 48.6??10-4mmol l-1yr-1) generally were comparable to the calculated rates of CO2 production by the combined reduction of O2, Fe(III) and SO42- (1.31??10-4 to 15??10-4mmol l-1yr-1). The overall increase in SO42- concentrations along the flow path, together with the results of mass-balance calculations, and variations in ??34S values along the flow path indicate that SO42- loss through microbial reduction is exceeded by SO42- gain through diffusion from sediments and through the oxidation of FeS2. Geochemical and microbial data on cores indicate that Fe(III) oxyhydroxide coatings on sediment grains in local, organic carbon- and SO42--rich zones have been depleted by microbial reduction and resulted in localized SO42--reducing zones in which the formation of iron disulfides decreases dissolved iron concentrations. These localized zones of SO42- reduction, which are important for assessing zones of low dissolved iron for water-supply development, could be overlooked by aquifer studies that rely only on groundwater data from well-water samples for geochemical modeling.

Modules based on the geochemical model PHREEQC for use in scripting and programming languages

USGS Publications Warehouse

Charlton, Scott R.; Parkhurst, David L.

2011-01-01

The geochemical model PHREEQC is capable of simulating a wide range of equilibrium reactions between water and minerals, ion exchangers, surface complexes, solid solutions, and gases. It also has a general kinetic formulation that allows modeling of nonequilibrium mineral dissolution and precipitation, microbial reactions, decomposition of organic compounds, and other kinetic reactions. To facilitate use of these reaction capabilities in scripting languages and other models, PHREEQC has been implemented in modules that easily interface with other software. A Microsoft COM (component object model) has been implemented, which allows PHREEQC to be used by any software that can interface with a COM server—for example, Excel®, Visual Basic®, Python, or MATLAB". PHREEQC has been converted to a C++ class, which can be included in programs written in C++. The class also has been compiled in libraries for Linux and Windows that allow PHREEQC to be called from C++, C, and Fortran. A limited set of methods implements the full reaction capabilities of PHREEQC for each module. Input methods use strings or files to define reaction calculations in exactly the same formats used by PHREEQC. Output methods provide a table of user-selected model results, such as concentrations, activities, saturation indices, and densities. The PHREEQC module can add geochemical reaction capabilities to surface-water, groundwater, and watershed transport models. It is possible to store and manipulate solution compositions and reaction information for many cells within the module. In addition, the object-oriented nature of the PHREEQC modules simplifies implementation of parallel processing for reactive-transport models. The PHREEQC COM module may be used in scripting languages to fit parameters; to plot PHREEQC results for field, laboratory, or theoretical investigations; or to develop new models that include simple or complex geochemical calculations.

Modules based on the geochemical model PHREEQC for use in scripting and programming languages

USGS Publications Warehouse

Charlton, S.R.; Parkhurst, D.L.

2011-01-01

The geochemical model PHREEQC is capable of simulating a wide range of equilibrium reactions between water and minerals, ion exchangers, surface complexes, solid solutions, and gases. It also has a general kinetic formulation that allows modeling of nonequilibrium mineral dissolution and precipitation, microbial reactions, decomposition of organic compounds, and other kinetic reactions. To facilitate use of these reaction capabilities in scripting languages and other models, PHREEQC has been implemented in modules that easily interface with other software. A Microsoft COM (component object model) has been implemented, which allows PHREEQC to be used by any software that can interface with a COM server-for example, Excel??, Visual Basic??, Python, or MATLAB??. PHREEQC has been converted to a C++ class, which can be included in programs written in C++. The class also has been compiled in libraries for Linux and Windows that allow PHREEQC to be called from C++, C, and Fortran. A limited set of methods implements the full reaction capabilities of PHREEQC for each module. Input methods use strings or files to define reaction calculations in exactly the same formats used by PHREEQC. Output methods provide a table of user-selected model results, such as concentrations, activities, saturation indices, and densities. The PHREEQC module can add geochemical reaction capabilities to surface-water, groundwater, and watershed transport models. It is possible to store and manipulate solution compositions and reaction information for many cells within the module. In addition, the object-oriented nature of the PHREEQC modules simplifies implementation of parallel processing for reactive-transport models. The PHREEQC COM module may be used in scripting languages to fit parameters; to plot PHREEQC results for field, laboratory, or theoretical investigations; or to develop new models that include simple or complex geochemical calculations. ?? 2011.

Updated Reference Model for Heat Generation in the Lithosphere

NASA Astrophysics Data System (ADS)

Wipperfurth, S. A.; Sramek, O.; Roskovec, B.; Mantovani, F.; McDonough, W. F.

2017-12-01

Models integrating geophysics and geochemistry allow for characterization of the Earth's heat budget and geochemical evolution. Global lithospheric geophysical models are now constrained by surface and body wave data and are classified into several unique tectonic types. Global lithospheric geochemical models have evolved from petrological characterization of layers to a combination of petrologic and seismic constraints. Because of these advances regarding our knowledge of the lithosphere, it is necessary to create an updated chemical and physical reference model. We are developing a global lithospheric reference model based on LITHO1.0 (segmented into 1°lon x 1°lat x 9-layers) and seismological-geochemical relationships. Uncertainty assignments and correlations are assessed for its physical attributes, including layer thickness, Vp and Vs, and density. This approach yields uncertainties for the masses of the crust and lithospheric mantle. Heat producing element abundances (HPE: U, Th, and K) are ascribed to each volume element. These chemical attributes are based upon the composition of subducting sediment (sediment layers), composition of surface rocks (upper crust), a combination of petrologic and seismic correlations (middle and lower crust), and a compilation of xenolith data (lithospheric mantle). The HPE abundances are correlated within each voxel, but not vertically between layers. Efforts to provide correlation of abundances horizontally between each voxel are discussed. These models are used further to critically evaluate the bulk lithosphere heat production in the continents and the oceans. Cross-checks between our model and results from: 1) heat flux (Artemieva, 2006; Davies, 2013; Cammarano and Guerri, 2017), 2) gravity (Reguzzoni and Sampietro, 2015), and 3) geochemical and petrological models (Rudnick and Gao, 2014; Hacker et al. 2015) are performed.

Disturbance, A Mechanism for Increased Microbial Diversity in a Yellowstone National Park Hot Spring Mixing Zone

NASA Astrophysics Data System (ADS)

Howells, A. E.; Oiler, J.; Fecteau, K.; Boyd, E. S.; Shock, E.

2014-12-01

The parameters influencing species diversity in natural ecosystems are difficult to assess due to the long and experimentally prohibitive timescales needed to develop causative relationships among measurements. Ecological diversity-disturbance models suggest that disturbance is a mechanism for increased species diversity, allowing for coexistence of species at an intermediate level of disturbance. Observing this mechanism often requires long timescales, such as the succession of a forest after a fire. In this study we evaluated the effect of mixing of two end member hydrothermal fluids on the diversity and structure of a microbial community where disturbance occurs on small temporal and spatial scales. Outflow channels from two hot springs of differing geochemical composition in Yellowstone National Park, one pH 3.3 and 36 °C and the other pH 7.6 and 61 °C flow together to create a mixing zone on the order of a few meters. Geochemical measurements were made at both in-coming streams and at a site of complete mixing downstream of the mixing zone, at pH 6.5 and 46 °C. Compositions were estimated across the mixing zone at 1 cm intervals using microsensor temperature and conductivity measurements and a mixing model. Qualitatively, there are four distinct ecotones existing over ranges in temperature and pH across the mixing zone. Community analysis of the 16S rRNA genes of these ecotones show a peak in diversity at maximal mixing. Principle component analysis of community 16S rRNA genes reflects coexistence of species with communities at maximal mixing plotting intermediate to communities at distal ends of the mixing zone. These spatial biological and geochemical observations suggest that the mixing zone is a dynamic ecosystem where geochemistry and biological diversity are governed by changes in the flow rate and geochemical composition of the two hot spring sources. In ecology, understanding how environmental disruption increases species diversity is a foundation for ecosystem conservation. By studying a hot spring environment where detailed measurements of geochemical variation and community diversity can be made at small spatial scales, the mechanisms by which maximal diversity is achieved can be tested and may assist in applications of diversity-disturbance models for larger ecosystems.

InSAR Surface Deformation and Source Modelling at Semisopochnoi Island During the 2014 and 2015 Seismic Swarms with Constraints from Geochemical and Seismic Analysis

NASA Astrophysics Data System (ADS)

DeGrandpre, K.; Pesicek, J. D.; Lu, Z.

2017-12-01

During the summer of 2014 and the early spring of 2015 two notable increases in seismic activity at Semisopochnoi Island in the western Aleutian islands were recorded on AVO seismometers on Semisopochnoi and neighboring islands. These seismic swarms did not lead to an eruption. This study employs interferometric synthetic aperture radar (InSAR) techniques using TerraSAR-X images in conjunction with more accurately relocating the recorded seismic events through simultaneous inversion of event travel times and a three-dimensional velocity model using tomoDD. The InSAR images exhibit surprising coherence and an island wide spatial distribution of inflation that is then used in Mogi, Okada, spheroid, and ellipsoid source models in order to define the three-dimensional location and volume change required for a source at the volcano to produce the observed surface deformation. The tomoDD relocations provide a more accurate and realistic three-dimensional velocity model as well as a tighter clustering of events for both swarms that clearly outline a linear seismic void within the larger group of shallow (<10 km) seismicity. The source models are fit to this void and pressure estimates from geochemical analysis are used to verify the storage depth of magmas at Semisopochnoi. Comparisons of calculated source cavity, magma injection, and surface deformation volumes are made in order to assess the reality behind the various modelling estimates. Incorporating geochemical and seismic data to provide constraints on surface deformation source inversions provides an interdisciplinary approach that can be used to make more accurate interpretations of dynamic observations.

Baseline geochemical data for stream sediment and surface water samples from Panther Creek, the Middle Fork of the Salmon River, and the Main Salmon River from North Fork to Corn Creek, collected prior to the severe wildfires of 2000 in central Idaho

USGS Publications Warehouse

Eppinger, Robert G.; Briggs, Paul H.; Brown, Zoe Ann; Crock, James G.; Meier, Allen; Theodorakos, Peter M.; Wilson, Stephen A.

2001-01-01

In 1996, the U.S. Geological Survey conducted a reconnaissance baseline geochemical study in central Idaho. The purpose of the baseline study was to establish a 'geochemical snapshot' of the area, as a datum for monitoring future change in the geochemical landscape, whether natural or human-induced. This report presents the methology, analytical results, and sample descriptions for water, sediment, and heavy-mineral concentrate samples collected during this geochemical investigation. In the summer of 2000, the Clear Creek, Little Pistol, and Shellrock wildfires swept across much of the area that was sampled. Thus, these data represent a pre-fire baseline geochemical dataset. A 2001 post- fire study is planned and will involve re-sampling of the pre-fire baseline sites, to allow for pre- and post-fire comparison.

Hydrochemical characteristics and groundwater evolution modeling in sedimentary rocks of the Tono mine, Japan

NASA Astrophysics Data System (ADS)

Sasamoto, Hiroshi; Yui, Mikazu; Arthur, Randolph C.

Based on geochemical data collected by Japan Nuclear Cycle Development Institute (JNC) in the Tono uranium mine, a conceptual groundwater evolution model developed by JNC is tested to evaluate whether equilibrium-based concepts of water-rock interaction are consistent with observed variations in the mineralogy and hydrochemistry of the Tono mine area. The chemical evolution of the groundwaters is modeled assuming local equilibrium for selected mineral-fluid reactions, taking into account the rainwater origin of these solutions. Results suggest that it is possible to interpret approximately the actual groundwater chemistry (i.e., pH, Eh, total dissolved concentrations of Si, Na, Ca, K, Al, carbonate and sulfate) if the following assumptions are adopted (a) CO 2 concentration in the gas phase contacting pore solutions in the overlying soil zone=10 -1 atm, and (b) minerals in the rock zone that control the solubility of respective elements in the groundwater include: chalcedony (Si), albite (Na), kaolinite (Al), calcite (Ca and carbonate), muscovite (K) and pyrite (Eh and sulfate). This result helps to build confidence in the use of simplified geochemical modeling techniques to develop an understanding of dominant geochemical reactions controlling groundwater chemistry in rocks similar to those that could be used for the geological disposal of radioactive wastes. It is noted, however, that the available field data may not be sufficient to adequately constrain parameters in the groundwater evolution model. In particular, more detailed information characterizing certain site properties are needed to improve the model. For this reason, a model that accounts for ion-exchange reactions among clay minerals, and which is based on the results of laboratory experiments, has also been evaluated in the present study. Further improvement of model considering ion-exchange reactions are needed in future, however.

Simulating the Incorporation of Geochemical Proxies into Scleractinian Coral Skeletons: Effects of Different Environmental and Biological Factors and Implications for Paleo-reconstruction

NASA Astrophysics Data System (ADS)

Guo, W.

2017-12-01

Chemical and isotopic compositions of scleractinian coral skeletons reflect the physicochemical condition of the seawater in which corals grow. This makes coral skeleton one of the best archives of ocean climate and biogeochemical changes. A number of coral-based geochemical proxies have been developed and applied to reconstruct past seawater conditions, such as temperature, pH, carbonate chemistry and nutrient concentrations. Detailed laboratory and field-based studies of these proxies, however, indicate interpretation of the geochemistry of coral skeletons is not straightforward, due to the presence of `vital effects' and the variations of empirical proxy calibrations among and within different species. This poses challenges for the broad application of many geochemical proxies in corals, and highlights the need to better understand the fundamental processes governing the incorporation of different proxies. Here I present a numerical model that simulates the incorporation of a suite of geochemical proxies into coral skeletons, including δ11B, Mg/Ca, Sr/Ca, U/Ca, B/Ca and Ba/Ca. This model, building on previous theoretical studies of coral calcification, combines our current understanding of coral calcification mechanism with experimental constraints on the isotope and element partition during carbonate precipitation. It enables quantitative evaluation of the effects of different environmental and biological factors on each proxy. Specifically, this model shows that (1) the incorporation of every proxy is affected by multiple seawater parameters (e.g. temperature, pH, DIC) as opposed to one single parameter, and (2) biological factors, particularly the interplay between enzymatic alkalinity pumping and the exchange of coral calcifying fluid with external seawater, also exert significant controls. Based on these findings, I propose an inverse method for simultaneously reconstructing multiple seawater physicochemical parameters, and compare the performance of this new method with conventional paleo-reconstruction methods that are based on empirical calibrations. In addition, the extension of this model to simulate carbon, oxygen and clumped isotope (δ13C, δ18O, Δ47) composition of coral skeletons will also be discussed at the meeting.

High-temperature life without photosynthesis as a model for Mars

NASA Technical Reports Server (NTRS)

Shock, E. L.

1997-01-01

Discoveries in biology and developments in geochemistry over the past two decades have lead to a radical revision of concepts relating to the upper temperature at which life thrives, the genetic relationships among all life on Earth, links between organic and inorganic compounds in geologic processes, and the geochemical supply of metabolic energy. It is now apparent that given a source of geochemical energy, in the form of a mixture of compounds that is far from thermodynamic equilibrium, microorganisms can take advantage of the energy and thrive without the need for photosynthesis as a means of primary productivity. This means that life can exist in the subsurface of a planet such as Mars without necessarily exhibiting a surface expression. Theoretical calculations quantify the geochemically provided metabolic energy available to hyperthermophilic organisms in submarine hydrothermal systems on the Earth, and help to explain the enormous biological productivity of these systems. Efforts to place these models in the context of the early Earth reveal that substantial geochemical energy would have been available and that organic synthesis would have been thermodynamically favored as hydrothermal fluids mix with seawater.

Reply to 'Comments on upscaling geochemical reaction rates usingpore-scale network modeling' by Peter C. Lichtner and Qinjun Kang

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Li; Peters, Catherine A.; Celia, Michael A.

2006-05-03

Our paper "Upscaling geochemical reaction rates usingpore-scale network modeling" presents a novel application of pore-scalenetwork modeling to upscale mineral dissolution and precipitationreaction rates from the pore scale to the continuum scale, anddemonstrates the methodology by analyzing the scaling behavior ofanorthite and kaolinite reaction kinetics under conditions related to CO2sequestration. We conclude that under highly acidic conditions relevantto CO2 sequestration, the traditional continuum-based methodology may notcapture the spatial variation in concentrations from pore to pore, andscaling tools may be important in correctly modeling reactive transportprocesses in such systems. This work addresses the important butdifficult question of scaling mineral dissolution and precipitationreactionmore » kinetics, which is often ignored in fields such as geochemistry,water resources, and contaminant hydrology. Although scaling of physicalprocesses has been studied for almost three decades, very few studieshave examined the scaling issues related to chemical processes, despitetheir importance in governing the transport and fate of contaminants insubsurface systems.« less

Characteristics and habitat of deep vs. shallow slow slip events

NASA Astrophysics Data System (ADS)

Wipperfurth, S. A.; Sramek, O.; Roskovec, B.; Mantovani, F.; McDonough, W. F.

2016-12-01

Models integrating geophysics and geochemistry allow for characterization of the Earth's heat budget and geochemical evolution. Global lithospheric geophysical models are now constrained by surface and body wave data and are classified into several unique tectonic types. Global lithospheric geochemical models have evolved from petrological characterization of layers to a combination of petrologic and seismic constraints. Because of these advances regarding our knowledge of the lithosphere, it is necessary to create an updated chemical and physical reference model. We are developing a global lithospheric reference model based on LITHO1.0 (segmented into 1°lon x 1°lat x 9-layers) and seismological-geochemical relationships. Uncertainty assignments and correlations are assessed for its physical attributes, including layer thickness, Vp and Vs, and density. This approach yields uncertainties for the masses of the crust and lithospheric mantle. Heat producing element abundances (HPE: U, Th, and K) are ascribed to each volume element. These chemical attributes are based upon the composition of subducting sediment (sediment layers), composition of surface rocks (upper crust), a combination of petrologic and seismic correlations (middle and lower crust), and a compilation of xenolith data (lithospheric mantle). The HPE abundances are correlated within each voxel, but not vertically between layers. Efforts to provide correlation of abundances horizontally between each voxel are discussed. These models are used further to critically evaluate the bulk lithosphere heat production in the continents and the oceans. Cross-checks between our model and results from: 1) heat flux (Artemieva, 2006; Davies, 2013; Cammarano and Guerri, 2017), 2) gravity (Reguzzoni and Sampietro, 2015), and 3) geochemical and petrological models (Rudnick and Gao, 2014; Hacker et al. 2015) are performed.

Approach for environmental baseline water sampling

USGS Publications Warehouse

Smith, K.S.

2011-01-01

Samples collected during the exploration phase of mining represent baseline conditions at the site. As such, they can be very important in forecasting potential environmental impacts should mining proceed, and can become measurements against which future changes are compared. Constituents in stream water draining mined and mineralized areas tend to be geochemically, spatially, and temporally variable, which presents challenges in collecting both exploration and baseline water-quality samples. Because short-term (daily) variations can complicate long-term trends, it is important to consider recent findings concerning geochemical variability of stream-water constituents at short-term timescales in designing sampling plans. Also, adequate water-quality information is key to forecasting potential ecological impacts from mining. Therefore, it is useful to collect baseline water samples adequate tor geochemical and toxicological modeling. This requires complete chemical analyses of dissolved constituents that include major and minor chemical elements as well as physicochemical properties (including pH, specific conductance, dissolved oxygen) and dissolved organic carbon. Applying chemical-equilibrium and appropriate toxicological models to water-quality information leads to an understanding of the speciation, transport, sequestration, bioavailability, and aquatic toxicity of potential contaminants. Insights gained from geochemical and toxicological modeling of water-quality data can be used to design appropriate mitigation and for economic planning for future mining activities.

A compartmentalized solute transport model for redox zones in contaminated aquifers: 1. Theory and development

USGS Publications Warehouse

Abrams , Robert H.; Loague, Keith

2000-01-01

This paper, the first of two parts [see Abrams and Loague, this issue], takes the compartmentalized approach for the geochemical evolution of redox zones presented by Abrams et al. [1998] and embeds it within a solute transport framework. In this paper the compartmentalized approach is generalized to facilitate the description of its incorporation into a solute transport simulator. An equivalent formulation is developed which removes any discontinuities that may occur when switching compartments. Rate‐limited redox reactions are modeled with a modified Monod relationship that allows either the organic substrate or the electron acceptor to be the rate‐limiting reactant. Thermodynamic constraints are used to inhibit lower‐energy redox reactions from occurring under infeasible geochemical conditions without imposing equilibrium on the lower‐energy reactions. The procedure used allows any redox reaction to be simulated as being kinetically limited or thermodynamically limited, depending on local geochemical conditions. Empirical reaction inhibition methods are not needed. The sequential iteration approach (SIA), a technique which allows the number of solute transport equations to be reduced, is adopted to solve the coupled geochemical/solute transport problem. When the compartmentalized approach is embedded within the SIA, with the total analytical concentration of each component as the dependent variable in the transport equation, it is possible to reduce the number of transport equations even further than with the unmodified SIA. A one‐dimensional, coupled geochemical/solute transport simulation is presented in which redox zones evolve dynamically in time and space. The compartmentalized solute transport (COMPTRAN) model described in this paper enables the development of redox zones to be simulated under both kinetic and thermodynamic constraints. The modular design of COMPTRAN facilitates the use of many different, preexisting solute transport and geochemical codes. The companion paper [Abrams and Loague, this issue] presents examples of the application of COMPTRAN to field‐scale problems.

Geochemical Characterization of the Upper and Middle Floridan Aquifer System, South Florida

NASA Astrophysics Data System (ADS)

Mirecki, J.; Richardson, E.; Bennett, M.; Hendel, J.

2008-05-01

Our study focus is to characterize the water quality and geochemical environment of the Floridan Aquifer System (FAS) throughout the regional flowpath. A synoptic survey of 21 wells (n=15, upper FAS; n=6 middle FAS) was supplemented by additional samples (n=11) obtained during exploratory well development at 4 aquifer storage recovery (ASR) pilot sites. Synoptic survey samples were analyzed intensively, yielding a dataset that consists of major and trace dissolved constituents (including metals), stable isotopes (δ18O, δ13C, δD, δ34S in sulfate and sulfide), carbon species (carbonate alkalinity and organic carbon), uranium-series radionuclides, nutrients, and selected microbes and pathogens. The objectives of this study are three-fold: 1) to provide baseline water-quality and geochemical information prior to initiation of ASR activities that are part of the Comprehensive Everglades Restoration Plan; 2) to quantify the major controls on geochemical evolution along upper and middle FAS flowpaths using geochemical modeling methods; and 3) to identify areas where water- quality may limit the feasibility of ASR methods in the FAS. Preliminary interpretations water quality changes along the regional FAS flowpath can be summarized as follows. Concentrations of dissolved constituents increase from north to south along the flow path; generally, the upper FAS has lower total dissolved solids than the middle FAS at locations where well pairs were analyzed. The redox environment changes from oxic to strongly anoxic, very close to the recharge area. Redox measurements, dissolved iron, sulfide, and sulfur isotope data are consistent with sulfate-reducing conditions. Uranium-series isotope concentrations and activities generally are below regulatory criteria, with few exceptions in both the upper and middle FAS. Areas with greater radionuclide activity occur primarily at distal flowpath locations or at the coast.

Impact of the volume of gaseous phase in closed reactors on ANC results and modelling

NASA Astrophysics Data System (ADS)

Drapeau, Clémentine; Delolme, Cécile; Lassabatere, Laurent; Blanc, Denise

2016-04-01

The understanding of the geochemical behavior of polluted solid materials is often challenging and requires huge expenses of time and money. Nevertheless, given the increasing amounts of polluted solid materials and related risks for the environment, it is more and more crucial to understand the leaching of majors and trace metals elements from these matrices. In the designs of methods to quantify pollutant solubilization, the combination of experimental procedures with modeling approaches has recently gained attention. Among usual methods, some rely on the association of ANC and geochemical modeling. ANC experiments - Acid Neutralization Capacity - consists in adding known quantities of acid or base to a mixture of water and contaminated solid materials at a given liquid / solid ratio in closed reactors. Reactors are agitated for 48h and then pH, conductivity, redox potential, carbon, majors and heavy metal solubilized are quantified. However, in most cases, the amounts of matrix and water do not reach the total volume of reactors, leaving some space for air (gaseous phase). Despite this fact, no clear indication is given in standard procedures about the effect of this gaseous phase. Even worse, the gaseous phase is never accounted for when exploiting or modeling ANC data. The gaseous phase may exchange CO2 with the solution, which may, in turn, impact both pH and element release. This study lies within the most general framework for the use of geochemical modeling for the prediction of ANC results for the case of pure phases to real phase assemblages. In this study, we focus on the effect of the gaseous phase on ANC experiments on different mineral phases through geochemical modeling. To do so, we use PHREEQC code to model the evolution of pH and element release (including majors and heavy metals) when several matrices are put in contact with acid or base. We model the following scenarios for the gaseous phase: no gas, contact with the atmosphere (open system) and real reactors conditions (semi-closed systems). The solid phases tested are pure phases (calcite, sulfides, etc.) and synthetic assemblages mimicking complex polluted matrices. The modeling clearly shows that the systems are sensitive to the opening to the atmosphere. If the open system and the system with no gas are entirely different, "real" reactors also differ significantly from the other systems. Apparently, the presence of the gaseous phase in reactors greatly impacts pH and element release. This parameter should be accounted for in ANC experimental procedures and modeling. In addition to this numerical study, experimental results, previously obtained for urban polluted sediments, are analyzed in lights of the findings of the numerical study. This step allows us to strengthen conclusions and to pinpoint at the necessity to account for the gaseous phase when performing and modeling ANC experiments.

Hydrologic Responses to CO2 Injection in Basalts Based on Flow-through Experiments

NASA Astrophysics Data System (ADS)

Thomas, D.; Hingerl, F.; Garing, C.; Bird, D. K.; Benson, S. M.; Maher, K.

2015-12-01

Experimental studies of basalt-CO2 interactions have increased our ability to predict geochemical responses within a mafic reservoir during geologic CO2 sequestration. However, the lack of flow-through experiments prevents the use of coupled hydrologic-geochemical models to predict evolution of permeability and porosity, critical parameters for assessing storage feasibility. We present here results of three flow-through experiments on an intact basalt core during which we employed X-ray Computed Tomography (CT) to quantify porosity evolution and fluid flow. Using a single core of glassy basaltic tuff from the Snake River Plain (Menan Buttes complex), we performed tracer tests using a solution of NaI (~100,000 ppm) before and after injection of CO2-saturated water at reservoir conditions (90 bar, 50°C) to image porosity and flow path distribution. During the tracer tests, CT scans were taken at 2.5-minute intervals, and outlet fluid was discretely sampled at the same intervals and subsequently measured via ICP-MS, enabling interpretation of the tracer breakthrough curve through both imaging and geochemical analyses. Comparison of the porosity distribution from before and after injection of CO2 shows an overall decrease in core-averaged porosity from 34% to 31.1%. Permeability decreased exponentially from ~4.9x10-12 m2 to 1.18 x10-12 m2. The decrease in porosity and permeability suggests geochemical transformations in the mineral assemblage of the core, which we observe through petrographic analysis of an unaltered sample of the same lithology in contrast with the altered core. There is a significant increase in grain coatings, as well as reduction in the grain size, suggesting dissolution re-precipitation mechanisms. Finally, to develop a framework for the coupled geochemical and hydrologic responses observed experimentally, we have calibrated a reactive transport model at the core scale using the TOUGHREACT simulator [1]. [1] Xu et al. (2011) Comput. Geosci.

Geomechanical/Geochemical Modeling Studies Conducted within theInternational DECOVALEX Project

DOE Office of Scientific and Technical Information (OSTI.GOV)

Birkholzer, J.T.; Rutqvist, J.; Sonnenthal, E.L.

2005-10-19

The DECOVALEX project is an international cooperative project initiated by SKI, the Swedish Nuclear Power Inspectorate, with participation of about 10 international organizations. The general goal of this project is to encourage multidisciplinary interactive and cooperative research on modeling coupled thermo-hydro-mechanical-chemical (THMC) processes in geologic formations in support of the performance assessment for underground storage of radioactive waste. One of the research tasks, initiated in 2004 by the U.S. Department of Energy (DOE), addresses the long-term impact of geomechanical and geochemical processes on the flow conditions near waste emplacement tunnels. Within this task, four international research teams conduct predictive analysismore » of the coupled processes in two generic repositories, using multiple approaches and different computer codes. Below, we give an overview of the research task and report its current status.« less

Geomechanical/ Geochemical Modeling Studies onducted Within the International DECOVALEX Project

DOE Office of Scientific and Technical Information (OSTI.GOV)

J.T. Birkholzer; J. Rutqvist; E.L. Sonnenthal

2006-02-01

The DECOVALEX project is an international cooperative project initiated by SKI, the Swedish Nuclear Power Inspectorate, with participation of about 10 international organizations. The general goal of this project is to encourage multidisciplinary interactive and cooperative research on modeling coupled thermo-hydro-mechanical-chemical (THMC) processes in geologic formations in support of the performance assessment for underground storage of radioactive waste. One of the research tasks, initiated in 2004 by the U.S. Department of Energy (DOE), addresses the long-term impact of geomechanical and geochemical processes on the flow conditions near waste emplacement tunnels. Within this task, four international research teams conduct predictive analysismore » of the coupled processes in two generic repositories, using multiple approaches and different computer codes. Below, we give an overview of the research task and report its current status.« less

Alaska Geochemical Database (AGDB)-Geochemical data for rock, sediment, soil, mineral, and concentrate sample media

USGS Publications Warehouse

Granitto, Matthew; Bailey, Elizabeth A.; Schmidt, Jeanine M.; Shew, Nora B.; Gamble, Bruce M.; Labay, Keith A.

2011-01-01

The Alaska Geochemical Database (AGDB) was created and designed to compile and integrate geochemical data from Alaska in order to facilitate geologic mapping, petrologic studies, mineral resource assessments, definition of geochemical baseline values and statistics, environmental impact assessments, and studies in medical geology. This Microsoft Access database serves as a data archive in support of present and future Alaskan geologic and geochemical projects, and contains data tables describing historical and new quantitative and qualitative geochemical analyses. The analytical results were determined by 85 laboratory and field analytical methods on 264,095 rock, sediment, soil, mineral and heavy-mineral concentrate samples. Most samples were collected by U.S. Geological Survey (USGS) personnel and analyzed in USGS laboratories or, under contracts, in commercial analytical laboratories. These data represent analyses of samples collected as part of various USGS programs and projects from 1962 to 2009. In addition, mineralogical data from 18,138 nonmagnetic heavy mineral concentrate samples are included in this database. The AGDB includes historical geochemical data originally archived in the USGS Rock Analysis Storage System (RASS) database, used from the mid-1960s through the late 1980s and the USGS PLUTO database used from the mid-1970s through the mid-1990s. All of these data are currently maintained in the Oracle-based National Geochemical Database (NGDB). Retrievals from the NGDB were used to generate most of the AGDB data set. These data were checked for accuracy regarding sample location, sample media type, and analytical methods used. This arduous process of reviewing, verifying and, where necessary, editing all USGS geochemical data resulted in a significantly improved Alaska geochemical dataset. USGS data that were not previously in the NGDB because the data predate the earliest USGS geochemical databases, or were once excluded for programmatic reasons, are included here in the AGDB and will be added to the NGDB. The AGDB data provided here are the most accurate and complete to date, and should be useful for a wide variety of geochemical studies. The AGDB data provided in the linked database may be updated or changed periodically. The data on the DVD and in the data downloads provided with this report are current as of date of publication.

NETPATH-WIN: an interactive user version of the mass-balance model, NETPATH

USGS Publications Warehouse

El-Kadi, A. I.; Plummer, Niel; Aggarwal, P.

2011-01-01

NETPATH-WIN is an interactive user version of NETPATH, an inverse geochemical modeling code used to find mass-balance reaction models that are consistent with the observed chemical and isotopic composition of waters from aquatic systems. NETPATH-WIN was constructed to migrate NETPATH applications into the Microsoft WINDOWS® environment. The new version facilitates model utilization by eliminating difficulties in data preparation and results analysis of the DOS version of NETPATH, while preserving all of the capabilities of the original version. Through example applications, the note describes some of the features of NETPATH-WIN as applied to adjustment of radiocarbon data for geochemical reactions in groundwater systems.

Modeling hydrologic controls on sulfur processes in sulfate-impacted wetland and stream sediments

NASA Astrophysics Data System (ADS)

Ng, G.-H. C.; Yourd, A. R.; Johnson, N. W.; Myrbo, A. E.

2017-09-01

Recent studies show sulfur redox processes in terrestrial settings are more important than previously considered, but much remains uncertain about how these processes respond to dynamic hydrologic conditions in natural field settings. We used field observations from a sulfate-impacted wetland and stream in the mining region of Minnesota (USA) to calibrate a reactive transport model and evaluate sulfur and coupled geochemical processes under contrasting hydrogeochemical scenarios. Simulations of different hydrological conditions showed that flux and chemistry differences between surface water and deeper groundwater strongly control hyporheic zone geochemical profiles. However, model results for the stream channel versus wetlands indicate sediment organic carbon content to be the more important driver of sulfate reduction rates. A complex nonlinear relationship between sulfate reduction rates and geochemical conditions is apparent from the model's higher sensitivity to sulfate concentrations in settings with higher organic content. Across all scenarios, simulated e- balance results unexpectedly showed that sulfate reduction dominates iron reduction, which is contrary to the traditional thermodynamic ladder but corroborates recent experimental findings by Hansel et al. (2015) that "cryptic" sulfur cycling could drive sulfate reduction in preference over iron reduction. Following the thermodynamic ladder, our models shows that high surface water sulfate slows methanogenesis in shallow sediments, but field observations suggest that sulfate reduction may not entirely suppress methane. Overall, our results show that sulfate reduction may serve as a major component making up and influencing terrestrial redox processes, with dynamic hyporheic fluxes controlling sulfate concentrations and reaction rates, especially in high organic content settings.

Modelling radionuclide transport in fractured media with a dynamic update of K d values

DOE PAGES

Trinchero, Paolo; Painter, Scott L.; Ebrahimi, Hedieh; ...

2015-10-13

Radionuclide transport in fractured crystalline rocks is a process of interest in evaluating long term safety of potential disposal systems for radioactive wastes. Given their numerical efficiency and the absence of numerical dispersion, Lagrangian methods (e.g. particle tracking algorithms) are appealing approaches that are often used in safety assessment (SA) analyses. In these approaches, many complex geochemical retention processes are typically lumped into a single parameter: the distribution coefficient (Kd). Usually, the distribution coefficient is assumed to be constant over the time frame of interest. However, this assumption could be critical under long-term geochemical changes as it is demonstrated thatmore » the distribution coefficient depends on the background chemical conditions (e.g. pH, Eh, and major chemistry). In this study, we provide a computational framework that combines the efficiency of Lagrangian methods with a sound and explicit description of the geochemical changes of the site and their influence on the radionuclide retention properties.« less

Aqueous Geochemical Dynamics at the Coast Range Ophiolite Microbial Observatory and The Case for Subsurface Mixing of Regional Groundwaters

NASA Astrophysics Data System (ADS)

Cardace, D.; Schrenk, M. O.; McCollom, T. M.; Hoehler, T. M.

2017-12-01

Serpentinization is the aqueous alteration (or hydration) of olivine and pyroxene minerals in ultramafic rocks, occurring in the seabed and ultramafic units on continents, such as at the Coast Range Ophiolite (CRO) in northern California, USA. Mineral products of serpentinization include serpentine, magnetite, brucite, talc, oxyhydroxides, carbonates, and diverse clay minerals. Such mineral transformations generate extremely high pH solutions with characteristic cation and dissolved metal loads, transmitting CH4, H2, and CO gas mixtures from depth; deep life in ultramafic terrains is thought to be fueled by chemical energy derived from these geochemical reactions. The installation of 8 groundwater monitoring wells in the CRO has allowed frequent monitoring since 2011. Influx of deeply sourced, serpentinization-influenced waters is evidenced by related geochemical shifts (e.g., pH, oxidation-reduction potential), but is apparently mixing with other, regionally important groundwater types. Evaluation salinity loads in concert with other parameters, we model the mixing scenario of this site of ongoing scientific study and experimentation.

Geochemical survey of the Chattahoochee Roadless Area, Towns, Union, and White counties, Georgia

USGS Publications Warehouse

Koeppen, Robert P.; Nelson, Arthur E.

1989-01-01

Th U.S. Geological Survey made a reconnaissance geochemical survey of the Chattahoochee Roadless Area (fig. 1) to search for unexposed mineral deposits which might be recognized by a geochemical signature in the abundance or distribution patterns of trace elements. As part of a regional geochemical reconnaissance, M/ Hurst (University of Georgia) collected 51 fine-grained stream-sediment samples and 45 planned-concentrate samples  of alluvial gravels in the Chattahoochee study area (see figure 1). A.E. Nelson, in conjunction with detailed geologic mapping (Nelso, 1983), collected 10 rock-chip samples for geochemical analysis in addition to a large number of hand specimens for thin-section study. In order to evaluate isolated anomalies indicated by the earlier sampling, R.P. Koeppen, D.M. Sutphin, and P.D. Schruben collected several additional panned-concentrate, stream-sediment, and rock samples from the area in 1986. Both the geologic study by Nelson (1983) and this geochemical survey provide the basis for our mineral-resource assessment of the Chattahoochee Roadless Area (Nelson and others, 1983). 

Testing and Resilience of the Impact Origin of the Moon

NASA Technical Reports Server (NTRS)

Righter, K.; Canup, R. M.

2016-01-01

The leading hypothesis for the origin of the Moon is the giant impact model, which grew out of the post-Apollo science community. The hypothesis was able to explain the high E-M system angular momentum, the small lunar core, and consistent with the idea that the early Moon melted substantially. The standard hypothesis requires that the Moon be made entirely from the impactor, strangely at odds with the nearly identical oxygen isotopic composition of the Earth and Moon, compositions that might be expected to be different if Moon came from a distinct impactor. Subsequent geochemical research has highlighted the similarity of both geochemical and isotopic composition of the Earth and Moon, and measured small but significant amounts of volatiles in lunar glassy materials, both of which are seemingly at odds with the standard giant impact model. Here we focus on key geochemical measurements and spacecraft observations that have prompted a healthy re-evaluation of the giant impact model, provide an overview of physical models that are either newly proposed or slightly revised from previous ideas, to explain the new datasets.

Alaska Geochemical Database, Version 2.0 (AGDB2)--including “best value” data compilations for rock, sediment, soil, mineral, and concentrate sample media

USGS Publications Warehouse

Granitto, Matthew; Schmidt, Jeanine M.; Shew, Nora B.; Gamble, Bruce M.; Labay, Keith A.

2013-01-01

The Alaska Geochemical Database Version 2.0 (AGDB2) contains new geochemical data compilations in which each geologic material sample has one “best value” determination for each analyzed species, greatly improving speed and efficiency of use. Like the Alaska Geochemical Database (AGDB, http://pubs.usgs.gov/ds/637/) before it, the AGDB2 was created and designed to compile and integrate geochemical data from Alaska in order to facilitate geologic mapping, petrologic studies, mineral resource assessments, definition of geochemical baseline values and statistics, environmental impact assessments, and studies in medical geology. This relational database, created from the Alaska Geochemical Database (AGDB) that was released in 2011, serves as a data archive in support of present and future Alaskan geologic and geochemical projects, and contains data tables in several different formats describing historical and new quantitative and qualitative geochemical analyses. The analytical results were determined by 85 laboratory and field analytical methods on 264,095 rock, sediment, soil, mineral and heavy-mineral concentrate samples. Most samples were collected by U.S. Geological Survey personnel and analyzed in U.S. Geological Survey laboratories or, under contracts, in commercial analytical laboratories. These data represent analyses of samples collected as part of various U.S. Geological Survey programs and projects from 1962 through 2009. In addition, mineralogical data from 18,138 nonmagnetic heavy-mineral concentrate samples are included in this database. The AGDB2 includes historical geochemical data originally archived in the U.S. Geological Survey Rock Analysis Storage System (RASS) database, used from the mid-1960s through the late 1980s and the U.S. Geological Survey PLUTO database used from the mid-1970s through the mid-1990s. All of these data are currently maintained in the National Geochemical Database (NGDB). Retrievals from the NGDB were used to generate most of the AGDB data set. These data were checked for accuracy regarding sample location, sample media type, and analytical methods used. This arduous process of reviewing, verifying and, where necessary, editing all U.S. Geological Survey geochemical data resulted in a significantly improved Alaska geochemical dataset. USGS data that were not previously in the NGDB because the data predate the earliest U.S. Geological Survey geochemical databases, or were once excluded for programmatic reasons, are included here in the AGDB2 and will be added to the NGDB. The AGDB2 data provided here are the most accurate and complete to date, and should be useful for a wide variety of geochemical studies. The AGDB2 data provided in the linked database may be updated or changed periodically.

Reactive Fluid Flow and Applications to Diagenesis, Mineral Deposits, and Crustal Rocks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rye, Danny M.; Bolton, Edward W.

2002-11-04

The objective is to initiate new: modeling of coupled fluid flow and chemical reactions of geologic environments; experimental and theoretical studies of water-rock reactions; collection and interpretation of stable isotopic and geochemical field data at many spatial scales of systems involving fluid flow and reaction in environments ranging from soils to metamorphic rocks. Theoretical modeling of coupled fluid flow and chemical reactions, involving kinetics, has been employed to understand the differences between equilibrium, steady-state, and non-steady-state behavior of the chemical evolution of open fluid-rock systems. The numerical codes developed in this project treat multi-component, finite-rate reactions combined with advective andmore » dispersive transport in multi-dimensions. The codes incorporate heat, mass, and isotopic transfer in both porous and fractured media. Experimental work has obtained the kinetic rate laws of pertinent silicate-water reactions and the rates of Sr release during chemical weathering. Ab-initio quantum mechanical techniques have been applied to obtain the kinetics and mechanisms of silicate surface reactions and isotopic exchange between water and dissolved species. Geochemical field-based studies were carried out on the Wepawaug metamorphic schist, on the Irish base-metal sediment-hosted ore system, in the Dalradian metamorphic complex in Scotland, and on weathering in the Columbia River flood basalts. The geochemical and isotopic field data, and the experimental and theoretical rate data, were used as constraints on the numerical models and to determine the length and time scales relevant to each of the field areas.« less

Geochemical and Sm-Nd isotope-geochemical patterns of metavolcanic rocks, diabase, and metagabbroids on the northeastern flank of the South Mongolian-Khingan orogenic belt

NASA Astrophysics Data System (ADS)

Smirnov, Yu. V.; Sorokin, A. A.

2017-05-01

The first results of geochemical and Sm-Nd isotope-geochemical studies of metavolcanic rocks, metagabbroids, and diabase of the Nora-Sukhotino terrane, the least studied part of the South Mongolian-Khingan orogenic belt in the system of the Central Asian orogenic belt are reported. It is established that the basic rocks composing this terrane include varieties comparable with E-MORB, tholeiitic, and calc-alkaline basalt of island arc, calc-alkaline gabbro-diabase, and gabbroids of island arcs. Most likely, these formations should be correlated with metabasalt and associated Late Ordovician gabbro-amphibolite of the Sukdulkin "block" of the South Mongolian-Khingan orogenic belt, which are similar to tholeiite of intraplate island arcs by their geochemical characteristics.

PHAST Version 2-A Program for Simulating Groundwater Flow, Solute Transport, and Multicomponent Geochemical Reactions

USGS Publications Warehouse

Parkhurst, David L.; Kipp, Kenneth L.; Charlton, Scott R.

2010-01-01

The computer program PHAST (PHREEQC And HST3D) simulates multicomponent, reactive solute transport in three-dimensional saturated groundwater flow systems. PHAST is a versatile groundwater flow and solute-transport simulator with capabilities to model a wide range of equilibrium and kinetic geochemical reactions. The flow and transport calculations are based on a modified version of HST3D that is restricted to constant fluid density and constant temperature. The geochemical reactions are simulated with the geochemical model PHREEQC, which is embedded in PHAST. Major enhancements in PHAST Version 2 allow spatial data to be defined in a combination of map and grid coordinate systems, independent of a specific model grid (without node-by-node input). At run time, aquifer properties are interpolated from the spatial data to the model grid; regridding requires only redefinition of the grid without modification of the spatial data. PHAST is applicable to the study of natural and contaminated groundwater systems at a variety of scales ranging from laboratory experiments to local and regional field scales. PHAST can be used in studies of migration of nutrients, inorganic and organic contaminants, and radionuclides; in projects such as aquifer storage and recovery or engineered remediation; and in investigations of the natural rock/water interactions in aquifers. PHAST is not appropriate for unsaturated-zone flow, multiphase flow, or density-dependent flow. A variety of boundary conditions are available in PHAST to simulate flow and transport, including specified-head, flux (specified-flux), and leaky (head-dependent) conditions, as well as the special cases of rivers, drains, and wells. Chemical reactions in PHAST include (1) homogeneous equilibria using an ion-association or Pitzer specific interaction thermodynamic model; (2) heterogeneous equilibria between the aqueous solution and minerals, ion exchange sites, surface complexation sites, solid solutions, and gases; and (3) kinetic reactions with rates that are a function of solution composition. The aqueous model (elements, chemical reactions, and equilibrium constants), minerals, exchangers, surfaces, gases, kinetic reactants, and rate expressions may be defined or modified by the user. A number of options are available to save results of simulations to output files. The data may be saved in three formats: a format suitable for viewing with a text editor; a format suitable for exporting to spreadsheets and postprocessing programs; and in Hierarchical Data Format (HDF), which is a compressed binary format. Data in the HDF file can be visualized on Windows computers with the program Model Viewer and extracted with the utility program PHASTHDF; both programs are distributed with PHAST.

Geothermal studies at Kirtland Air Force Base, Albuquerque, New Mexico

DOE Office of Scientific and Technical Information (OSTI.GOV)

Riddle, L.; Grant, B.

Due to an effort by government installations to discontinue use of natural gas, alternative energy sources are being investigated at Kirtland Air Force Base, Albuquerque, New Mexico. New Mexico has geologic characteristics favorable for geothermal energy utilization. Local heat flow and geochemical studies indicate a normal subsurface temperature regime. The alluvial deposits, however, extend to great depths where hot fluids, heated by the normal geothermal gradient, could be encountered. Two potential models for tapping geothermal energy are presented: the basin model and the fault model.

PhreeqcRM: A reaction module for transport simulators based on the geochemical model PHREEQC

USGS Publications Warehouse

Parkhurst, David L.; Wissmeier, Laurin

2015-01-01

PhreeqcRM is a geochemical reaction module designed specifically to perform equilibrium and kinetic reaction calculations for reactive transport simulators that use an operator-splitting approach. The basic function of the reaction module is to take component concentrations from the model cells of the transport simulator, run geochemical reactions, and return updated component concentrations to the transport simulator. If multicomponent diffusion is modeled (e.g., Nernst–Planck equation), then aqueous species concentrations can be used instead of component concentrations. The reaction capabilities are a complete implementation of the reaction capabilities of PHREEQC. In each cell, the reaction module maintains the composition of all of the reactants, which may include minerals, exchangers, surface complexers, gas phases, solid solutions, and user-defined kinetic reactants.PhreeqcRM assigns initial and boundary conditions for model cells based on standard PHREEQC input definitions (files or strings) of chemical compositions of solutions and reactants. Additional PhreeqcRM capabilities include methods to eliminate reaction calculations for inactive parts of a model domain, transfer concentrations and other model properties, and retrieve selected results. The module demonstrates good scalability for parallel processing by using multiprocessing with MPI (message passing interface) on distributed memory systems, and limited scalability using multithreading with OpenMP on shared memory systems. PhreeqcRM is written in C++, but interfaces allow methods to be called from C or Fortran. By using the PhreeqcRM reaction module, an existing multicomponent transport simulator can be extended to simulate a wide range of geochemical reactions. Results of the implementation of PhreeqcRM as the reaction engine for transport simulators PHAST and FEFLOW are shown by using an analytical solution and the reactive transport benchmark of MoMaS.

A Model for Siderophile Element Distribution in Planetary Differentiation

NASA Technical Reports Server (NTRS)

Humayun, M.; Rushmer, T.; Rankenburg, K.; Brandon, A. D.

2005-01-01

Planetary differentiation begins with partial melting of small planetesimals. At low degrees of partial melting, a sulfur-rich liquid segregates by physical mechanisms including deformation-assisted porous flow. Experimental studies of the physical mechanisms by which Fe-S melts segregate from the silicate matrix of a molten H chondrite are part of a companion paper. Geochemical studies of these experimental products revealed that metallic liquids were in equilibrium with residual metal in the H chondrite matrix. This contribution explores the geochemical signatures produced by early stages of core formation. Particularly, low-degree partial melt segregation of Fe-S liquids leaves residual metal in the silicate matrix. Some achondrites appear to be residues of partial melting, e.g., ureilites, which are known to contain metal. The metal in these achondrites may show a distinct elemental signature. To quantify the effect of sulfur on siderophile element contents of residual metal we have developed a model based on recent parametrizations of equilibrium solid metal-liquid metal partitioning experiments.

Summary geochemical maps of the Harrison 1° x 2° quadrangle, Arkansas and Missouri

USGS Publications Warehouse

Erickson, R.L.; Chazin, Barbara; Erickson, M.S.

1989-01-01

Geochemical studies of the Harrison lo x 2° quadrangle, Arkansas and Missouri, are part of a joint multidisciplinary study by the U.S. Geological Survey; the Division of Geology and Land Survey, Missouri Department of Natural Resources; and the Arkansas Geological Commission. The objective of the joint study is to assess the mineral-resource potential of the area by integrated geologic, geochemical, and geophysical investigations.

Leachate Geochemical Results for Ash and Burned Soil Samples from the October 2007 Southern California Wildfires

USGS Publications Warehouse

Hageman, Philip L.; Plumlee, Geoffrey S.; Martin, Deborah A.; Hoefen, Todd M.; Meeker, Gregory P.; Adams, Monique; Lamothe, Paul J.; Anthony, Michael W.

2008-01-01

This report is the second release of leachate geochemical data included as part of a multidisciplinary study of ash and burned soil samples from the October 2007 wildfires in southern California. Geochemical data for the first set of samples were released in an Open-File Report (Plumlee and others, 2007). This study is a continuation of that work. The objectives of this leaching study are to aid in understanding the interactions of ash and burned soil with rainfall. For this study, 12 samples collected in early November 2007 were leached using the U.S. Geological Survey (USGS) Field Leach Test (FLT). Following leaching, sub-samples of the leachate were analyzed for pH and specific conductance. The leachate was then filtered, and aliquots were preserved for geochemical analysis. This report presents leachate geochemical data for pH, specific conductance, alkalinity, anions using ion chromatography (I.C.), cations using inductively coupled plasma?atomic mass spectrometry (ICP-MS), and mercury by continuous flow injection?cold vapor?atomic fluorescence (CVAFS).

Hawaiian lavas: a window into mantle dynamics

NASA Astrophysics Data System (ADS)

Jones, Tim; Davies, Rhodri; Campbell, Ian

2017-04-01

The emergence of double track volcanism at Hawaii has traditionally posed two problems: (i) the physical emergence of two parallel chains of volcanoes at around 3 Ma, named the Loa and Kea tracks after the largest volcanoes in their sequence, and (ii) the systematic geochemical differences between the erupted lavas along each track. In this study, we dissolve this distinction by providing a geodynamical explanation for the physical emergence of double track volcanism at 3 Ma and use numerical models of the Hawaiian plume to illustrate how this process naturally leads to each volcanic track sampling distinct mantle compositions, which accounts for much of the geochemical characteristics of the Loa and Kea trends.

PHREEQCI; a graphical user interface for the geochemical computer program PHREEQC

USGS Publications Warehouse

Charlton, Scott R.; Macklin, Clifford L.; Parkhurst, David L.

1997-01-01

PhreeqcI is a Windows-based graphical user interface for the geochemical computer program PHREEQC. PhreeqcI provides the capability to generate and edit input data files, run simulations, and view text files containing simulation results, all within the framework of a single interface. PHREEQC is a multipurpose geochemical program that can perform speciation, inverse, reaction-path, and 1D advective reaction-transport modeling. Interactive access to all of the capabilities of PHREEQC is available with PhreeqcI. The interface is written in Visual Basic and will run on personal computers under the Windows(3.1), Windows95, and WindowsNT operating systems.

Major hydrogeochemical processes in an acid mine drainage affected estuary.

PubMed

Asta, Maria P; Calleja, Maria Ll; Pérez-López, Rafael; Auqué, Luis F

2015-02-15

This study provides geochemical data with the aim of identifying and quantifying the main processes occurring in an Acid Mine Drainage (AMD) affected estuary. With that purpose, water samples of the Huelva estuary were collected during a tidal half-cycle and ion-ion plots and geochemical modeling were performed to obtain a general conceptual model. Modeling results indicated that the main processes responsible for the hydrochemical evolution of the waters are: (i) the mixing of acid fluvial water with alkaline ocean water; (ii) precipitation of Fe oxyhydroxysulfates (schwertmannite) and hydroxides (ferrihydrite); (iii) precipitation of Al hydroxysulfates (jurbanite) and hydroxides (amorphous Al(OH)3); (iv) dissolution of calcite; and (v) dissolution of gypsum. All these processes, thermodynamically feasible in the light of their calculated saturation states, were quantified by mass-balance calculations and validated by reaction-path calculations. In addition, sorption processes were deduced by the non-conservative behavior of some elements (e.g., Cu and Zn). Copyright © 2014 Elsevier Ltd. All rights reserved.

COTHERM: Modelling fluid-rock interactions in Icelandic geothermal systems

NASA Astrophysics Data System (ADS)

Thien, Bruno; Kosakowski, Georg; Kulik, Dmitrii

2014-05-01

Mineralogical alteration of reservoir rocks, driven by fluid circulation in natural or enhanced geothermal systems, is likely to influence the long-term performance of geothermal power generation. A key factor is the change of porosity due to dissolution of primary minerals and precipitation of secondary phases. Porosity changes will affect fluid circulation and solute transport, which, in turn, influence mineralogical alteration. This study is part of the Sinergia COTHERM project (COmbined hydrological, geochemical and geophysical modeling of geotTHERMal systems) that is an integrative research project aimed at improving our understanding of the sub-surface processes in magmatically-driven natural geothermal systems. We model the mineralogical and porosity evolution of Icelandic geothermal systems with 1D and 2D reactive transport models. These geothermal systems are typically high enthalphy systems where a magmatic pluton is located at a few kilometers depth. The shallow plutons increase the geothermal gradient and trigger the circulation of hydrothermal waters with a steam cap forming at shallow depth. We investigate two contrasting geothermal systems: Krafla, for which the water recharge consists of meteoritic water; and Reykjanes, for which the water recharge mainly consists of seawater. The initial rock composition is a fresh basalt. We use the GEM-Selektor geochemical modeling package [1] for calculation of kinetically controlled mineral equilibria between the rock and the ingression water. We consider basalt minerals dissolution kinetics according to Palandri & Kharaka [2]. Reactive surface areas are assumed to be geometric surface areas, and are corrected using a spherical-particle surface/mass relationship. For secondary minerals, we consider the partial equilibrium assuming that the primary mineral dissolution is slow, and the secondary mineral precipitation is fast. Comparison of our modeling results with the mineralogical assemblages observed in the field by Gudmundsson & Arnorsson [3] and by Icelandic partners of the COTHERM project suggests that the concept of partial equilibrium with instantaneous precipitation of secondary minerals is not sufficient to satisfactorily describe the experimental data. Considering kinetic controls also for secondary minerals appears as indispensable to properly describe the geothermal system evolution using a reactive transport modelling approach [4]. [1] Kulik D.A., Wagner T., Dmytrieva S.V., Kosakowski G., Hingerl F.F., Chudnenko K.V., Berner U., 2013. GEM-Selektor geochemical modeling package: revised algorithm and GEMS3K numerical kernel for coupled simulation codes. Computational Geosciences 17, 1-24. http://gems.web.psi.ch. [2] Palandri, J.L., Kharaka, Y.K., 2004. A compilation of rate parameters of water-mineral interaction kinetics for application to geochemical modelling. U.S.Geological Survey, Menlo Park, CA, pp. 1-64. [3] Gudmundsson B.T., Arnorsson S., 2005. Secondary mineral-fluid equilibria in the Krafla and Namafjall geothermal systems, Iceland. Applied Geochememistry 20, 1607-1625. [4] Kosakowski, G., & Watanabe, N., 2013. OpenGeoSys-Gem: A numerical tool for calculating geochemical and porosity changes in saturated and partially saturated media. Physics and Chemistry of the Earth, Parts A/B/C. doi:10.1016/j.pce.2013.11.008

Geochemical processes in ground water resulting from surface mining of coal at the Big Sky and West Decker Mine areas, southeastern Montana

USGS Publications Warehouse

Clark, D.W.

1995-01-01

A potential hydrologic effect of surface mining of coal in southeastern Montana is a change in the quality of ground water. Dissolved-solids concen- trations in water in spoils aquifers generally are larger than concentrations in water in the coal aquifers they replaced; however, laboratory experiments have indicated that concentrations can decrease if ground water flows from coal-mine spoils to coal. This study was conducted to determine if decreases in concentrations occur onsite and, if so, which geochemical processes caused the decreases. Solid-phase core samples of spoils, unmined over- burden, and coal, and ground-water samples were collected from 16 observation wells at two mine areas. In the Big Sky Mine area, changes in ground- water chemistry along a flow path from an upgradient coal aquifer to a spoils aquifer probably were a result of dedolomitization. Dissolved-solids concentrations were unchanged as water flowed from a spoils aquifer to a downgradient coal aquifer. In the West Decker Mine area, dissolved-solids concentrations apparently decreased from about 4,100 to 2,100 milligrams per liter as water moved along an inferred flow path from a spoils aquifer to a downgradient coal aquifer. Geochemical models were used to analyze changes in water chemistry on the basis of results of solid-phase and aqueous geochemical characteristics. Geochemical processes postulated to result in the apparent decrease in dissolved-solids concentrations along this inferred flow path include bacterial reduction of sulfate, reverse cation exchange within the coal, and precipitation of carbonate and iron-sulfide minerals.

DETECTING PLANETARY GEOCHEMICAL CYCLES ON EXOPLANETS: ATMOSPHERIC SIGNATURES AND THE CASE OF SO{sub 2}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kaltenegger, L.; Sasselov, D., E-mail: lkaltene@cfa.harvard.ed

2010-01-10

We study the spectrum of a planetary atmosphere to derive detectable features in low resolution of different global geochemical cycles on exoplanets-using the sulfur cycle as our example. We derive low-resolution detectable features for first generation space- and ground-based telescopes as a first step in comparative planetology. We assume that the surfaces and atmospheres of terrestrial exoplanets (Earth-like and super-Earths) will most often be dominated by a specific geochemical cycle. Here we concentrate on the sulfur cycle driven by outgassing of SO{sub 2} and H{sub 2}S followed by their transformation to other sulfur-bearing species, which is clearly distinguishable from themore » carbon cycle, which is driven by outgassing of CO{sub 2}. Due to increased volcanism, the sulfur cycle is potentially the dominant global geochemical cycle on dry super-Earths with active tectonics. We calculate planetary emission, reflection, and transmission spectrum from 0.4 mum to 40 mum with high and low resolution to assess detectable features using current and Archean Earth models with varying SO{sub 2} and H{sub 2}S concentrations to explore reducing and oxidizing habitable environments on rocky planets. We find specific spectral signatures that are observable with low resolution in a planetary atmosphere with high SO{sub 2} and H{sub 2}S concentration. Therefore, first generation space- and ground-based telescopes can test our understanding of geochemical cycles on rocky planets and potentially distinguish planetary environments dominated by the carbon and sulfur cycles.« less

Markov Chain Monte Carlo Inversion of Mantle Temperature and Composition, with Application to Iceland

NASA Astrophysics Data System (ADS)

Brown, Eric; Petersen, Kenni; Lesher, Charles

2017-04-01

Basalts are formed by adiabatic decompression melting of the asthenosphere, and thus provide records of the thermal, chemical and dynamical state of the upper mantle. However, uniquely constraining the importance of these factors through the lens of melting is challenging given the inevitability that primary basalts are the product of variable mixing of melts derived from distinct lithologies having different melting behaviors (e.g. peridotite vs. pyroxenite). Forward mantle melting models, such as REEBOX PRO [1], are useful tools in this regard, because they can account for differences in melting behavior and melt pooling processes, and provide estimates of bulk crust composition and volume that can be compared with geochemical and geophysical constraints, respectively. Nevertheless, these models require critical assumptions regarding mantle temperature, and lithologic abundance(s)/composition(s), all of which are poorly constrained. To provide better constraints on these parameters and their uncertainties, we have coupled a Markov Chain Monte Carlo (MCMC) sampling technique with the REEBOX PRO melting model. The MCMC method systematically samples distributions of key REEBOX PRO input parameters (mantle potential temperature, and initial abundances and compositions of the source lithologies) based on a likelihood function that describes the 'fit' of the model outputs (bulk crust composition and volume and end-member peridotite and pyroxenite melts) relative to geochemical and geophysical constraints and their associated uncertainties. As a case study, we have tested and applied the model to magmatism along Reykjanes Peninsula in Iceland, where pyroxenite has been inferred to be present in the mantle source. This locale is ideal because there exist sufficient geochemical and geophysical data to estimate bulk crust compositions and volumes, as well as the range of near-parental melts derived from the mantle. We find that for the case of passive upwelling, the models that best fit the geochemical and geophysical observables require elevated mantle potential temperatures ( 120 °C above ambient mantle), and 5% pyroxenite. The modeled peridotite source has a trace element composition similar to depleted MORB mantle, whereas the trace element composition of the pyroxenite is similar to enriched mid-ocean ridge basalt. These results highlight the promise of this method for efficiently exploring the range of mantle temperatures, lithologic abundances, and mantle source compositions that are most consistent with available observational constraints in individual volcanic systems. 1 Brown and Lesher (2016), G-cubed, 17, 3929-3968

SilMush: A procedure for modeling of the geochemical evolution of silicic magmas and granitic rocks

NASA Astrophysics Data System (ADS)

Hertogen, Jan; Mareels, Joyce

2016-07-01

A boundary layer crystallization modeling program is presented that specifically addresses the chemical fractionation in silicic magma systems and the solidification of plutonic bodies. The model is a Langmuir (1989) type approach and does not invoke crystal settling in high-viscosity silicic melts. The primary aim is to model a granitic rock as a congealed crystal-liquid mush, and to integrate major element and trace element modeling. The procedure allows for some exploratory investigation of the exsolution of H2O-fluids and of the fluid/melt partitioning of trace elements. The procedure is implemented as a collection of subroutines for the MS Excel spreadsheet environment and is coded in the Visual Basic for Applications (VBA) language. To increase the flexibility of the modeling, the procedure is based on discrete numeric process simulation rather than on solution of continuous differential equations. The program is applied to a study of the geochemical variation within and among three granitic units (Senones, Natzwiller, Kagenfels) from the Variscan Northern Vosges Massif, France. The three units cover the compositional range from monzogranite, over syenogranite to alkali-feldspar granite. An extensive set of new major element and trace element data is presented. Special attention is paid to the essential role of accessory minerals in the fractionation of the Rare Earth Elements. The crystallization model is able to reproduce the essential major and trace element variation trends in the data sets of the three separate granitic plutons. The Kagenfels alkali-feldspar leucogranite couples very limited variation in major element composition to a considerable and complex variation of trace elements. The modeling results can serve as a guide for the reconstruction of the emplacement sequence of petrographically distinct units. Although the modeling procedure essentially deals with geochemical fractionation within a single pluton, the modeling results bring up a number of questions about the petrogenetic relationships among parental magmas of nearly coeval granitic units emplaced in close proximity.

Geologic and geochemical results from boreholes drilled in Yellowstone National Park, Wyoming, 2007 and 2008

USGS Publications Warehouse

Jaworowski, Cheryl; Susong, David; Heasler, Henry; Mencin, David; Johnson, Wade; Conrey, Rick; Von Stauffenberg, Jennipher

2016-06-01

After drilling the seven PBO boreholes, cuttings were examined and selected for preparation of grain mounts, thin sections, and geochemical analysis. Major ions and trace elements (including rare earth elements) of selected cuttings were determined by x-ray fluorescence (XRF) and inductively coupled plasma-mass spectrometry (ICP-MS); the ICP-MS provided more precise trace-element analysis than XRF. A preliminary interpretation of the results of geochemical analyses generally shows a correlation between borehole cuttings and previously mapped geology. The geochemical data and borehole stratigraphy presented in this report provide a foundation for future petrologic, geochemical, and geophysical studies.

GIS Methodic and New Database for Magmatic Rocks. Application for Atlantic Oceanic Magmatism.

NASA Astrophysics Data System (ADS)

Asavin, A. M.

2001-12-01

There are several geochemical Databases in INTERNET available now. There one of the main peculiarities of stored geochemical information is geographical coordinates of each samples in those Databases. As rule the software of this Database use spatial information only for users interface search procedures. In the other side, GIS-software (Geographical Information System software),for example ARC/INFO software which using for creation and analyzing special geological, geochemical and geophysical e-map, have been deeply involved with geographical coordinates for of samples. We join peculiarities GIS systems and relational geochemical Database from special software. Our geochemical information system created in Vernadsky Geological State Museum and institute of Geochemistry and Analytical Chemistry from Moscow. Now we tested system with data of geochemistry oceanic rock from Atlantic and Pacific oceans, about 10000 chemical analysis. GIS information content consist from e-map covers Wold Globes. Parts of these maps are Atlantic ocean covers gravica map (with grid 2''), oceanic bottom hot stream, altimeteric maps, seismic activity, tectonic map and geological map. Combination of this information content makes possible created new geochemical maps and combination of spatial analysis and numerical geochemical modeling of volcanic process in ocean segment. Now we tested information system on thick client technology. Interface between GIS system Arc/View and Database resides in special multiply SQL-queries sequence. The result of the above gueries were simple DBF-file with geographical coordinates. This file act at the instant of creation geochemical and other special e-map from oceanic region. We used more complex method for geophysical data. From ARC\\View we created grid cover for polygon spatial geophysical information.

Summary geochemical maps for samples of rock, stream sediment, and nonmagnetic heavy-mineral concentrate, Pyramid Roadless Area, El Dorado County, California

USGS Publications Warehouse

Chaffee, M.A.

1986-01-01

Geochemical sampling was conducted during 1982. This report summarizes the results of that investigation and provides details of the geochemical evaluation used in producing the final mineral resource assessment of the study area (Armstrong and others, 1983).

Source apportionment of soil heavy metals using robust absolute principal component scores-robust geographically weighted regression (RAPCS-RGWR) receptor model.

PubMed

Qu, Mingkai; Wang, Yan; Huang, Biao; Zhao, Yongcun

2018-06-01

The traditional source apportionment models, such as absolute principal component scores-multiple linear regression (APCS-MLR), are usually susceptible to outliers, which may be widely present in the regional geochemical dataset. Furthermore, the models are merely built on variable space instead of geographical space and thus cannot effectively capture the local spatial characteristics of each source contributions. To overcome the limitations, a new receptor model, robust absolute principal component scores-robust geographically weighted regression (RAPCS-RGWR), was proposed based on the traditional APCS-MLR model. Then, the new method was applied to the source apportionment of soil metal elements in a region of Wuhan City, China as a case study. Evaluations revealed that: (i) RAPCS-RGWR model had better performance than APCS-MLR model in the identification of the major sources of soil metal elements, and (ii) source contributions estimated by RAPCS-RGWR model were more close to the true soil metal concentrations than that estimated by APCS-MLR model. It is shown that the proposed RAPCS-RGWR model is a more effective source apportionment method than APCS-MLR (i.e., non-robust and global model) in dealing with the regional geochemical dataset. Copyright © 2018 Elsevier B.V. All rights reserved.

Reactive transport modeling in the subsurface environment with OGS-IPhreeqc

NASA Astrophysics Data System (ADS)

He, Wenkui; Beyer, Christof; Fleckenstein, Jan; Jang, Eunseon; Kalbacher, Thomas; Naumov, Dimitri; Shao, Haibing; Wang, Wenqing; Kolditz, Olaf

2015-04-01

Worldwide, sustainable water resource management becomes an increasingly challenging task due to the growth of population and extensive applications of fertilizer in agriculture. Moreover, climate change causes further stresses to both water quantity and quality. Reactive transport modeling in the coupled soil-aquifer system is a viable approach to assess the impacts of different land use and groundwater exploitation scenarios on the water resources. However, the application of this approach is usually limited in spatial scale and to simplified geochemical systems due to the huge computational expense involved. Such computational expense is not only caused by solving the high non-linearity of the initial boundary value problems of water flow in the unsaturated zone numerically with rather fine spatial and temporal discretization for the correct mass balance and numerical stability, but also by the intensive computational task of quantifying geochemical reactions. In the present study, a flexible and efficient tool for large scale reactive transport modeling in variably saturated porous media and its applications are presented. The open source scientific software OpenGeoSys (OGS) is coupled with the IPhreeqc module of the geochemical solver PHREEQC. The new coupling approach makes full use of advantages from both codes: OGS provides a flexible choice of different numerical approaches for simulation of water flow in the vadose zone such as the pressure-based or mixed forms of Richards equation; whereas the IPhreeqc module leads to a simplification of data storage and its communication with OGS, which greatly facilitates the coupling and code updating. Moreover, a parallelization scheme with MPI (Message Passing Interface) is applied, in which the computational task of water flow and mass transport is partitioned through domain decomposition, whereas the efficient parallelization of geochemical reactions is achieved by smart allocation of computational workload over multiple compute nodes. The plausibility of the new coupling is verified by several benchmark tests. In addition, the efficiency of the new coupling approach is demonstrated by its application in a large scale scenario, in which the environmental fate of pesticides in a complex soil-aquifer system is studied.

Reactive transport modeling in variably saturated porous media with OGS-IPhreeqc

NASA Astrophysics Data System (ADS)

He, W.; Beyer, C.; Fleckenstein, J. H.; Jang, E.; Kalbacher, T.; Shao, H.; Wang, W.; Kolditz, O.

2014-12-01

Worldwide, sustainable water resource management becomes an increasingly challenging task due to the growth of population and extensive applications of fertilizer in agriculture. Moreover, climate change causes further stresses to both water quantity and quality. Reactive transport modeling in the coupled soil-aquifer system is a viable approach to assess the impacts of different land use and groundwater exploitation scenarios on the water resources. However, the application of this approach is usually limited in spatial scale and to simplified geochemical systems due to the huge computational expense involved. Such computational expense is not only caused by solving the high non-linearity of the initial boundary value problems of water flow in the unsaturated zone numerically with rather fine spatial and temporal discretization for the correct mass balance and numerical stability, but also by the intensive computational task of quantifying geochemical reactions. In the present study, a flexible and efficient tool for large scale reactive transport modeling in variably saturated porous media and its applications are presented. The open source scientific software OpenGeoSys (OGS) is coupled with the IPhreeqc module of the geochemical solver PHREEQC. The new coupling approach makes full use of advantages from both codes: OGS provides a flexible choice of different numerical approaches for simulation of water flow in the vadose zone such as the pressure-based or mixed forms of Richards equation; whereas the IPhreeqc module leads to a simplification of data storage and its communication with OGS, which greatly facilitates the coupling and code updating. Moreover, a parallelization scheme with MPI (Message Passing Interface) is applied, in which the computational task of water flow and mass transport is partitioned through domain decomposition, whereas the efficient parallelization of geochemical reactions is achieved by smart allocation of computational workload over multiple compute nodes. The plausibility of the new coupling is verified by several benchmark tests. In addition, the efficiency of the new coupling approach is demonstrated by its application in a large scale scenario, in which the environmental fate of pesticides in a complex soil-aquifer system is studied.

A multiphased approach to groundwater investigations for the Edwards-Trinity and related aquifers in the Pecos County region, Texas

USGS Publications Warehouse

Thomas, Jonathan V.

2014-01-01

The Edwards-Trinity aquifer is a vital groundwater resource for agricultural, industrial, and public supply uses in the Pecos County region of western Texas. Resource managers would like to understand the future availability of water in the Edwards-Trinity aquifer in the Pecos County region and the effects of the possible increase or temporal redistribution of groundwater withdrawals. To provide resource managers with that information, the U.S. Geological Survey (USGS), in cooperation with the Middle Pecos Groundwater Conservation District, Pecos County, City of Fort Stockton, Brewster County, and Pecos County Water Control and Improvement District No. 1, completed a three-phase study of the Edwards-Trinity and related aquifers in parts of Brewster, Jeff Davis, Pecos, and Reeves Counties. The first phase was to collect groundwater, surface-water, geochemical, geophysical, and geologic data in the study area and develop a geodatabase of historical and collected data. Data compiled in the first phase of the study were used to develop the conceptual model in the second phase of the study. The third phase of the study involved the development and calibration of a numerical groundwater-flow model of the Edwards-Trinity aquifer to simulate groundwater conditions based on various groundwater-withdrawal scenarios. Analysis of well, geophysical, geochemical, and hydrologic data contributed to the development of the conceptual model in phase 1. Lithologic information obtained from well reports and geophysical data was used to describe the hydrostratigraphy and structural features of the groundwater-flow system, and aquifer-test data were used to estimate aquifer hydraulic properties. Geochemical data were used to evaluate groundwater-flow paths, water-rock interaction, aquifer interaction, and the mixing of water from different sources in phase 2. Groundwater-level data also were used to evaluate aquifer interaction, as well as to develop a potentiometric-surface map, delineate regional groundwater divides, and describe regional groundwater-flow paths. During phase 3, the data collected and compiled along with the conceptual information in the study area were incorporated into a numerical groundwater-flow model to evaluate the sustainability of recent (2008) and projected water-use demands on groundwater resources in the study area.

A coupled THC model of the FEBEX in situ test with bentonite swelling and chemical and thermal osmosis.

PubMed

Zheng, Liange; Samper, Javier; Montenegro, Luis

2011-09-25

The performance assessment of a geological repository for radioactive waste requires quantifying the geochemical evolution of the bentonite engineered barrier. This barrier will be exposed to coupled thermal (T), hydrodynamic (H), mechanical (M) and chemical (C) processes. This paper presents a coupled THC model of the FEBEX (Full-scale Engineered Barrier EXperiment) in situ test which accounts for bentonite swelling and chemical and thermal osmosis. Model results attest the relevance of thermal osmosis and bentonite swelling for the geochemical evolution of the bentonite barrier while chemical osmosis is found to be almost irrelevant. The model has been tested with data collected after the dismantling of heater 1 of the in situ test. The model reproduces reasonably well the measured temperature, relative humidity, water content and inferred geochemical data. However, it fails to mimic the solute concentrations at the heater-bentonite and bentonite-granite interfaces because the model does not account for the volume change of bentonite, the CO(2)(g) degassing and the transport of vapor from the bentonite into the granite. The inferred HCO(3)(-) and pH data cannot be explained solely by solute transport, calcite dissolution and protonation/deprotonation by surface complexation, suggesting that such data may be affected also by other reactions. Published by Elsevier B.V.

Biogeochemical metabolic modeling of methanogenesis by Methanosarcina barkeri

NASA Astrophysics Data System (ADS)

Jensvold, Z. D.; Jin, Q.

2015-12-01

Methanogenesis, the biological process of methane production, is the final step of natural organic matter degradation. In studying natural methanogenesis, important questions include how fast methanogenesis proceeds and how methanogens adapt to the environment. To address these questions, we propose a new approach - biogeochemical reaction modeling - by simulating the metabolic networks of methanogens. Biogeochemical reaction modeling combines geochemical reaction modeling and genome-scale metabolic modeling. Geochemical reaction modeling focuses on the speciation of electron donors and acceptors in the environment, and therefore the energy available to methanogens. Genome-scale metabolic modeling predicts microbial rates and metabolic strategies. Specifically, this approach describes methanogenesis using an enzyme network model, and computes enzyme rates by accounting for both the kinetics and thermodynamics. The network model is simulated numerically to predict enzyme abundances and rates of methanogen metabolism. We applied this new approach to Methanosarcina barkeri strain fusaro, a model methanogen that makes methane by reducing carbon dioxide and oxidizing dihydrogen. The simulation results match well with the results of previous laboratory experiments, including the magnitude of proton motive force and the kinetic parameters of Methanosarcina barkeri. The results also predict that in natural environments, the configuration of methanogenesis network, including the concentrations of enzymes and metabolites, differs significantly from that under laboratory settings.

Geochemical modeling of subsurface fluid generation in the Gulf of Cadiz

NASA Astrophysics Data System (ADS)

Schmidt, Christopher; Hensen, Christian; Wallmann, Klaus

2016-04-01

During RV METEOR cruise M86/5 in 2012 a number of deep-sea mud volcanoes were discovered at about 4500 m water depth west of the deformation front of the accretionary wedge in the Gulf of Cadiz (NE Atlantic). Fluid flow at these locations is mediated by an active strike-slip fault marking the transcurrent plate boundary between Africa and Eurasia. Geochemical signals of emanating fluids have been interpreted as being a mixture of various deep-sourced processes such as the alteration of oceanic crust, clay-mineral dehydration, and recrystallization of carbonaceous, Upper Jurassic sediments (Hensen et al. 2015). In the current study we present results of a geochemical reactive-transport model that was designed to simulate major fluid-affecting processes, such as the smectite to illite transformation or recrystallization of carbonates in order to provide a proof of concept. Preliminary results show that the model is able to reproduce pore water signatures (e.g. for chloride, strontium, 87Sr/86Sr) in subsurface sediments that are similar to those of MV fluids. Hensen, C., Scholz, F., Nuzzo, M., Valadares, V., Gràcia, E., Terrinha, P., Liebetrau, V., Kaul, N., Silva, S., Martínez-Loriente, S., Bartolome, R., Piñero, E., Magalhães, V.H., Schmidt, M., Weise, S.M., Cunha, M., Hilario, A., Perea, H., Rovelli, L. and Lackschewitz, K. (2015) Strike-slip faults mediate the rise of crustal-derived fluids and mud volcanism in the deep sea. Geology 43, 339-342.

A Metastable Equilibrium Model for the Relative Abundances of Microbial Phyla in a Hot Spring

PubMed Central

Dick, Jeffrey M.; Shock, Everett L.

2013-01-01

Many studies link the compositions of microbial communities to their environments, but the energetics of organism-specific biomass synthesis as a function of geochemical variables have rarely been assessed. We describe a thermodynamic model that integrates geochemical and metagenomic data for biofilms sampled at five sites along a thermal and chemical gradient in the outflow channel of the hot spring known as “Bison Pool” in Yellowstone National Park. The relative abundances of major phyla in individual communities sampled along the outflow channel are modeled by computing metastable equilibrium among model proteins with amino acid compositions derived from metagenomic sequences. Geochemical conditions are represented by temperature and activities of basis species, including pH and oxidation-reduction potential quantified as the activity of dissolved hydrogen. By adjusting the activity of hydrogen, the model can be tuned to closely approximate the relative abundances of the phyla observed in the community profiles generated from BLAST assignments. The findings reveal an inverse relationship between the energy demand to form the proteins at equal thermodynamic activities and the abundance of phyla in the community. The distance from metastable equilibrium of the communities, assessed using an equation derived from energetic considerations that is also consistent with the information-theoretic entropy change, decreases along the outflow channel. Specific divergences from metastable equilibrium, such as an underprediction of the relative abundances of phototrophic organisms at lower temperatures, can be explained by considering additional sources of energy and/or differences in growth efficiency. Although the metabolisms used by many members of these communities are driven by chemical disequilibria, the results support the possibility that higher-level patterns of chemotrophic microbial ecosystems are shaped by metastable equilibrium states that depend on both the composition of biomass and the environmental conditions. PMID:24023738

The oceanic islands - Azores. [geological, geophysical and geochemical features

NASA Technical Reports Server (NTRS)

Ridley, W. I.; Watkins, N. D.; Macfarlane, D. J.

1974-01-01

A presentation is made of the known geological, geophysical, and geochemical data on the Azores. The regional setting of the islands is described; under the geological heading, surface geology and petrochemistry are discussed; and paleomagnetism, marine magnetic surveys, gravity, seismology, and heat flow are treated in the geophysics category. A model for the origin of the Azores is constructed on the basis of these observations.

Interactive Visual Analytics Approch for Exploration of Geochemical Model Simulations with Different Parameter Sets

NASA Astrophysics Data System (ADS)

Jatnieks, Janis; De Lucia, Marco; Sips, Mike; Dransch, Doris

2015-04-01

Many geoscience applications can benefit from testing many combinations of input parameters for geochemical simulation models. It is, however, a challenge to screen the input and output data from the model to identify the significant relationships between input parameters and output variables. For addressing this problem we propose a Visual Analytics approach that has been developed in an ongoing collaboration between computer science and geoscience researchers. Our Visual Analytics approach uses visualization methods of hierarchical horizontal axis, multi-factor stacked bar charts and interactive semi-automated filtering for input and output data together with automatic sensitivity analysis. This guides the users towards significant relationships. We implement our approach as an interactive data exploration tool. It is designed with flexibility in mind, so that a diverse set of tasks such as inverse modeling, sensitivity analysis and model parameter refinement can be supported. Here we demonstrate the capabilities of our approach by two examples for gas storage applications. For the first example our Visual Analytics approach enabled the analyst to observe how the element concentrations change around previously established baselines in response to thousands of different combinations of mineral phases. This supported combinatorial inverse modeling for interpreting observations about the chemical composition of the formation fluids at the Ketzin pilot site for CO2 storage. The results indicate that, within the experimental error range, the formation fluid cannot be considered at local thermodynamical equilibrium with the mineral assemblage of the reservoir rock. This is a valuable insight from the predictive geochemical modeling for the Ketzin site. For the second example our approach supports sensitivity analysis for a reaction involving the reductive dissolution of pyrite with formation of pyrrothite in presence of gaseous hydrogen. We determine that this reaction is thermodynamically favorable under a broad range of conditions. This includes low temperatures and absence of microbial catalysators. Our approach has potential for use in other applications that involve exploration of relationships in geochemical simulation model data.

Geochemical modeling of magma mixing and magma reservoir volumes during early episodes of Kīlauea Volcano's Pu`u `Ō`ō eruption

NASA Astrophysics Data System (ADS)

Shamberger, Patrick J.; Garcia, Michael O.

2007-02-01

Geochemical modeling of magma mixing allows for evaluation of volumes of magma storage reservoirs and magma plumbing configurations. A new analytical expression is derived for a simple two-component box-mixing model describing the proportions of mixing components in erupted lavas as a function of time. Four versions of this model are applied to a mixing trend spanning episodes 3 31 of Kilauea Volcano’s Puu Oo eruption, each testing different constraints on magma reservoir input and output fluxes. Unknown parameters (e.g., magma reservoir influx rate, initial reservoir volume) are optimized for each model using a non-linear least squares technique to fit model trends to geochemical time-series data. The modeled mixing trend closely reproduces the observed compositional trend. The two models that match measured lava effusion rates have constant magma input and output fluxes and suggest a large pre-mixing magma reservoir (46±2 and 49±1 million m3), with little or no volume change over time. This volume is much larger than a previous estimate for the shallow, dike-shaped magma reservoir under the Puu Oo vent, which grew from ˜3 to ˜10 12 million m3. These volumetric differences are interpreted as indicating that mixing occurred first in a larger, deeper reservoir before the magma was injected into the overlying smaller reservoir.

Predicting Biological Information Flow in a Model Oxygen Minimum Zone

NASA Astrophysics Data System (ADS)

Louca, S.; Hawley, A. K.; Katsev, S.; Beltran, M. T.; Bhatia, M. P.; Michiels, C.; Capelle, D.; Lavik, G.; Doebeli, M.; Crowe, S.; Hallam, S. J.

2016-02-01

Microbial activity drives marine biochemical fluxes and nutrient cycling at global scales. Geochemical measurements as well as molecular techniques such as metagenomics, metatranscriptomics and metaproteomics provide great insight into microbial activity. However, an integration of molecular and geochemical data into mechanistic biogeochemical models is still lacking. Recent work suggests that microbial metabolic pathways are, at the ecosystem level, strongly shaped by stoichiometric and energetic constraints. Hence, models rooted in fluxes of matter and energy may yield a holistic understanding of biogeochemistry. Furthermore, such pathway-centric models would allow a direct consolidation with meta'omic data. Here we present a pathway-centric biogeochemical model for the seasonal oxygen minimum zone in Saanich Inlet, a fjord off the coast of Vancouver Island. The model considers key dissimilatory nitrogen and sulfur fluxes, as well as the population dynamics of the genes that mediate them. By assuming a direct translation of biocatalyzed energy fluxes to biosynthesis rates, we make predictions about the distribution and activity of the corresponding genes. A comparison of the model to molecular measurements indicates that the model explains observed DNA, RNA, protein and cell depth profiles. This suggests that microbial activity in marine ecosystems such as oxygen minimum zones is well described by DNA abundance, which, in conjunction with geochemical constraints, determines pathway expression and process rates. Our work further demonstrates how meta'omic data can be mechanistically linked to environmental redox conditions and biogeochemical processes.

Geochemical sampling in arid environments by the U.S. Geological Survey

USGS Publications Warehouse

Hinkle, Margaret E.

1988-01-01

The U.S. Geological Survey (USGS) is responsible for the geochemical evaluations used for mineral resource assessments of large tracts of public lands in the Western United States. Many of these lands are administered by the Bureau of Land Management (BLM) and are studied to determine their suitability or nonsuitability for wilderness designation. Much of the Western United States is arid or semiarid. This report discusses various geochemical sample media that have been used for evaluating areas in arid environments and describes case histories in BLM wilderness study areas in which stream-sediment and heavy-mineral-concentrate sample media were compared. As a result of these case history studies, the nonmagnetic fraction of panned heavy-mineral concentrates was selected as the most effective medium for reconnaissance geochemical sampling for resources other than gold, in arid areas. Nonmagnetic heavy-mineral-concentrate samples provide the primary analytical information currently used in geochemical interpretations of mineral resource potential assessment of BLM lands.

Integrating Geochemical Reactions with a Particle-Tracking Approach to Simulate Nitrogen Transport and Transformation in Aquifers

NASA Astrophysics Data System (ADS)

Cui, Z.; Welty, C.; Maxwell, R. M.

2011-12-01

Lagrangian, particle-tracking models are commonly used to simulate solute advection and dispersion in aquifers. They are computationally efficient and suffer from much less numerical dispersion than grid-based techniques, especially in heterogeneous and advectively-dominated systems. Although particle-tracking models are capable of simulating geochemical reactions, these reactions are often simplified to first-order decay and/or linear, first-order kinetics. Nitrogen transport and transformation in aquifers involves both biodegradation and higher-order geochemical reactions. In order to take advantage of the particle-tracking approach, we have enhanced an existing particle-tracking code SLIM-FAST, to simulate nitrogen transport and transformation in aquifers. The approach we are taking is a hybrid one: the reactive multispecies transport process is operator split into two steps: (1) the physical movement of the particles including the attachment/detachment to solid surfaces, which is modeled by a Lagrangian random-walk algorithm; and (2) multispecies reactions including biodegradation are modeled by coupling multiple Monod equations with other geochemical reactions. The coupled reaction system is solved by an ordinary differential equation solver. In order to solve the coupled system of equations, after step 1, the particles are converted to grid-based concentrations based on the mass and position of the particles, and after step 2 the newly calculated concentration values are mapped back to particles. The enhanced particle-tracking code is capable of simulating subsurface nitrogen transport and transformation in a three-dimensional domain with variably saturated conditions. Potential application of the enhanced code is to simulate subsurface nitrogen loading to the Chesapeake Bay and its tributaries. Implementation details, verification results of the enhanced code with one-dimensional analytical solutions and other existing numerical models will be presented in addition to a discussion of implementation challenges.

Map showing geochemical data for panned stream sediments from the Bread Loaf Further Planning Area, Addison and Washington counties, Vermont

USGS Publications Warehouse

Grosz, A.E.; Schruben, P.G.; Atelsek, P.J.

1987-01-01

A geochemical survey of bedrock samples in the Bread Loaf Roadless Area (index map; fig. 1) was conducted by the U.S. Geological Survey (USGS) during October, 1981 in order to outline areas that may contain undiscovered mineral deposits. This report describes the results of a geochemical analysis of panned concentrates collected from stream sediments, and complements other geologic and geochemical investigations of the area (Slack and Bitar, 1983). The present study has offered us a chance to identify sampling media and a technique most appropriate for the enhancement of certain metallic elements in samples of panned concentrate. This study is important to the resource evaluation of the Bread Loaf Roadless Area because it reveals that geochemical anomalies produced by this technique are not evident in the standard magnetic and nonmagnetic fractions of panned concentrates.

MetPetDB: A database for metamorphic geochemistry

NASA Astrophysics Data System (ADS)

Spear, Frank S.; Hallett, Benjamin; Pyle, Joseph M.; Adalı, Sibel; Szymanski, Boleslaw K.; Waters, Anthony; Linder, Zak; Pearce, Shawn O.; Fyffe, Matthew; Goldfarb, Dennis; Glickenhouse, Nickolas; Buletti, Heather

2009-12-01

We present a data model for the initial implementation of MetPetDB, a geochemical database specific to metamorphic rock samples. The database is designed around the concept of preservation of spatial relationships, at all scales, of chemical analyses and their textural setting. Objects in the database (samples) represent physical rock samples; each sample may contain one or more subsamples with associated geochemical and image data. Samples, subsamples, geochemical data, and images are described with attributes (some required, some optional); these attributes also serve as search delimiters. All data in the database are classified as published (i.e., archived or published data), public or private. Public and published data may be freely searched and downloaded. All private data is owned; permission to view, edit, download and otherwise manipulate private data may be granted only by the data owner; all such editing operations are recorded by the database to create a data version log. The sharing of data permissions among a group of collaborators researching a common sample is done by the sample owner through the project manager. User interaction with MetPetDB is hosted by a web-based platform based upon the Java servlet application programming interface, with the PostgreSQL relational database. The database web portal includes modules that allow the user to interact with the database: registered users may save and download public and published data, upload private data, create projects, and assign permission levels to project collaborators. An Image Viewer module provides for spatial integration of image and geochemical data. A toolkit consisting of plotting and geochemical calculation software for data analysis and a mobile application for viewing the public and published data is being developed. Future issues to address include population of the database, integration with other geochemical databases, development of the analysis toolkit, creation of data models for derivative data, and building a community-wide user base. It is believed that this and other geochemical databases will enable more productive collaborations, generate more efficient research efforts, and foster new developments in basic research in the field of solid earth geochemistry.

Application of cluster analysis to geochemical compositional data for identifying ore-related geochemical anomalies

NASA Astrophysics Data System (ADS)

Zhou, Shuguang; Zhou, Kefa; Wang, Jinlin; Yang, Genfang; Wang, Shanshan

2017-12-01

Cluster analysis is a well-known technique that is used to analyze various types of data. In this study, cluster analysis is applied to geochemical data that describe 1444 stream sediment samples collected in northwestern Xinjiang with a sample spacing of approximately 2 km. Three algorithms (the hierarchical, k-means, and fuzzy c-means algorithms) and six data transformation methods (the z-score standardization, ZST; the logarithmic transformation, LT; the additive log-ratio transformation, ALT; the centered log-ratio transformation, CLT; the isometric log-ratio transformation, ILT; and no transformation, NT) are compared in terms of their effects on the cluster analysis of the geochemical compositional data. The study shows that, on the one hand, the ZST does not affect the results of column- or variable-based (R-type) cluster analysis, whereas the other methods, including the LT, the ALT, and the CLT, have substantial effects on the results. On the other hand, the results of the row- or observation-based (Q-type) cluster analysis obtained from the geochemical data after applying NT and the ZST are relatively poor. However, we derive some improved results from the geochemical data after applying the CLT, the ILT, the LT, and the ALT. Moreover, the k-means and fuzzy c-means clustering algorithms are more reliable than the hierarchical algorithm when they are used to cluster the geochemical data. We apply cluster analysis to the geochemical data to explore for Au deposits within the study area, and we obtain a good correlation between the results retrieved by combining the CLT or the ILT with the k-means or fuzzy c-means algorithms and the potential zones of Au mineralization. Therefore, we suggest that the combination of the CLT or the ILT with the k-means or fuzzy c-means algorithms is an effective tool to identify potential zones of mineralization from geochemical data.

Introduction to TETHYS—an interdisciplinary GIS database for studying continental collisions

NASA Astrophysics Data System (ADS)

Khan, S. D.; Flower, M. F. J.; Sultan, M. I.; Sandvol, E.

2006-05-01

The TETHYS GIS database is being developed as a way to integrate relevant geologic, geophysical, geochemical, geochronologic, and remote sensing data bearing on Tethyan continental plate collisions. The project is predicated on a need for actualistic model 'templates' for interpreting the Earth's geologic record. Because of their time-transgressive character, Tethyan collisions offer 'actualistic' models for features such as continental 'escape', collision-induced upper mantle flow magmatism, and marginal basin opening, associated with modern convergent plate margins. Large integrated geochemical and geophysical databases allow for such models to be tested against the geologic record, leading to a better understanding of continental accretion throughout Earth history. The TETHYS database combines digital topographic and geologic information, remote sensing images, sample-based geochemical, geochronologic, and isotopic data (for pre- and post-collision igneous activity), and data for seismic tomography, shear-wave splitting, space geodesy, and information for plate tectonic reconstructions. Here, we report progress on developing such a database and the tools for manipulating and visualizing integrated 2-, 3-, and 4-d data sets with examples of research applications in progress. Based on an Oracle database system, linked with ArcIMS via ArcSDE, the TETHYS project is an evolving resource for researchers, educators, and others interested in studying the role of plate collisions in the process of continental accretion, and will be accessible as a node of the national Geosciences Cyberinfrastructure Network—GEON via the World-Wide Web and ultra-high speed internet2. Interim partial access to the data and metadata is available at: http://geoinfo.geosc.uh.edu/Tethys/ and http://www.esrs.wmich.edu/tethys.htm. We demonstrate the utility of the TETHYS database in building a framework for lithospheric interactions in continental collision and accretion.

Analyzing legacy U.S. Geological Survey geochemical databases using GIS: applications for a national mineral resource assessment

USGS Publications Warehouse

Yager, Douglas B.; Hofstra, Albert H.; Granitto, Matthew

2012-01-01

This report emphasizes geographic information system analysis and the display of data stored in the legacy U.S. Geological Survey National Geochemical Database for use in mineral resource investigations. Geochemical analyses of soils, stream sediments, and rocks that are archived in the National Geochemical Database provide an extensive data source for investigating geochemical anomalies. A study area in the Egan Range of east-central Nevada was used to develop a geographic information system analysis methodology for two different geochemical datasets involving detailed (Bureau of Land Management Wilderness) and reconnaissance-scale (National Uranium Resource Evaluation) investigations. ArcGIS was used to analyze and thematically map geochemical information at point locations. Watershed-boundary datasets served as a geographic reference to relate potentially anomalous sample sites with hydrologic unit codes at varying scales. The National Hydrography Dataset was analyzed with Hydrography Event Management and ArcGIS Utility Network Analyst tools to delineate potential sediment-sample provenance along a stream network. These tools can be used to track potential upstream-sediment-contributing areas to a sample site. This methodology identifies geochemically anomalous sample sites, watersheds, and streams that could help focus mineral resource investigations in the field.

Major- and Trace-Element Concentrations in Soils from Northern California: Results from the Geochemical Landscapes Project Pilot Study

USGS Publications Warehouse

Morrison, Jean M.; Goldhaber, Martin B.; Holloway, JoAnn M.; Smith, David B.

2008-01-01

In 2004, the U.S. Geological Survey (USGS), the Geological Survey of Canada (GSC), and the Mexican Geological Survey (Servicio Geologico Mexicano, or SGM) initiated pilot studies in preparation for a soil geochemical survey of North America called the Geochemical Landscapes Project. The purpose of this project is to provide a better understanding of the variability in chemical composition of soils in North America. The data produced by this survey will be used to construct baseline geochemical maps for regions within the continent. Two initial pilot studies were conducted: (1) a continental-scale study involving a north-south and east-west transect across North America and (2) a regional-scale study. The pilot studies were intended to test and refine sample design, sampling protocols, and field logistics for the full continental soils geochemical survey. Smith and others (2005) reported the results from the continental-scale pilot study. The regional-scale California study was designed to represent more detailed, higher resolution geochemical investigations in a region of particular interest that was identified from the low-sample-density continental-scale survey. A 20,000-km2 area of northern California (fig. 1), representing a wide variety of topography, climate, and ecoregions, was chosen for the regional-scale pilot study. This study area also contains diverse geology and soil types and supports a wide range of land uses including agriculture in the Sacramento Valley, forested areas in portions of the Sierra Nevada, and urban/suburban centers such as Sacramento, Davis, and Stockton. Also of interest are potential effects on soil geochemistry from historical hard rock and placer gold mining in the foothills of the Sierra Nevada, historical mercury mining in the Coast Range, and mining of base-metal sulfide deposits in the Klamath Mountains to the north. This report presents the major- and trace-element concentrations from the regional-scale soil geochemical survey in northern California.

Numerical Modelling of Speleothem and Dripwater Chemistry: Interpreting Coupled Trace Element and Isotope Proxies for Climate Reconstructions

NASA Astrophysics Data System (ADS)

Owen, R.; Day, C. C.; Henderson, G. M.

2016-12-01

Speleothem palaeoclimate records are widely used but are often difficult to interpret due to the geochemical complexity of the soil-karst-cave system. Commonly analysed proxies (e.g. δ18O, δ13C and Mg/Ca) may be affected by multiple processes along the water flow path from atmospheric moisture source through to the cave drip site. Controls on speleothem chemistry include rainfall and aerosol chemistry, bedrock chemistry, temperature, soil pCO2, the degree of open-system dissolution and prior calcite precipitation. Disentangling the effects of these controls is necessary to fully interpret speleothem palaeoclimate records. To quantify the effects of these processes, we have developed an isotope-enabled numerical model based on the geochemical modelling software PHREEQC. The model calculates dripwater chemistry and isotopes through equilibrium bedrock dissolution and subsequent iterative CO2 degassing and calcite precipitation. This approach allows forward modelling of dripwater and speleothem proxies, both chemical (e.g. Ca concentration, pH, Mg/Ca and Sr/Ca ratios) and isotopic (e.g. δ18O, δ13C, δ44Ca and radiocarbon content), in a unified framework. Potential applications of this model are varied and the model may be readily expanded to include new isotope systems or processes. Here we focus on calculated proxy co-variation due to changes in model parameters. Examples include: - The increase in Ca concentration, decrease in δ13C and increase in radiocarbon content as bedrock dissolution becomes more open-system. - Covariation between δ13C, δ44Ca and trace metal proxies (e.g. Mg/Ca) predicted by changing prior calcite precipitation. - The effect of temperature change on all proxies through the soil-karst-cave system. Separating the impact of soil and karst processes on geochemical proxies allows more quantitative reconstruction of the past environment, and greater understanding in modern cave monitoring studies.

Modeling the hydrothermal circulation and the hydrogen production at the Rainbow site with Cast3M

NASA Astrophysics Data System (ADS)

Perez, F.; Mügler, C.; Charlou, J.; Jean-baptiste, P.

2012-12-01

On the Mid-Atlantic Ridge, the Rainbow venting site is described as an ultramafic-hosted active hydrothermal site and releases high fluxes of methane and hydrogen [1, 2]. This behavior has first been interpreted as the result of serpentinization processes. But geochemical reactions involving olivine and plagioclase assemblages, and leading to chlorite, tremolite, talc and magnetite assemblages, could contribute to the observed characteristics of the exiting fluid [2]. The predominance of one of these geochemical reactions or their coexistence strongly depend on the hydrothermal fluid circulation. We developed and validated a 2D/3D numerical model using a Finite Volume method to simulate heat driven fluid flows in the framework of the Cast3M code [3, 4]. We also developed a numerical model for hydrogen production and transport that is based on experimental studies of the serpentinization processes [5-6]. This geochemical model takes into account the exothermic and water-consuming behavior of the serpentinization reaction and it can be coupled to our thermo-hydrogeological model. Our simulations provide temperatures, mass fluxes and venting surface areas very close to those estimated in-situ [7]. We showed that a single-path model [8] was necessary to simulate high values such as the in-situ measured temperatures and estimated water mass fluxes of the Rainbow site [7]. This single-path model will be used to model the production and transport of hydrogen at the Rainbow hydrothermal site. References [1]Charlou et al. (2010) AGU Monograph series. [2]Seyfried et al. (2011) Geochim. Cosmochim. Acta 75, 1574-1593. [3]http://www-cast3m.cea.fr. [4]Martin & Fyfe (1970) Chem. Geol. 6, 185-202. [5] Marcaillou et al. (2011) Earth and Planet. Sci. Lett. 303, 281-290. [6]Malvoisin et al. (2012) JGR, 117, B01104. [7]Perez et al. (2012) submited to Computational Geosciences. [8]Lowell & Germanovich (2004) AGU, Washington DC, USA.

Spatial variation of volcanic rock geochemistry in the Virunga Volcanic Province: Statistical analysis of an integrated database

NASA Astrophysics Data System (ADS)

Barette, Florian; Poppe, Sam; Smets, Benoît; Benbakkar, Mhammed; Kervyn, Matthieu

2017-10-01

We present an integrated, spatially-explicit database of existing geochemical major-element analyses available from (post-) colonial scientific reports, PhD Theses and international publications for the Virunga Volcanic Province, located in the western branch of the East African Rift System. This volcanic province is characterised by alkaline volcanism, including silica-undersaturated, alkaline and potassic lavas. The database contains a total of 908 geochemical analyses of eruptive rocks for the entire volcanic province with a localisation for most samples. A preliminary analysis of the overall consistency of the database, using statistical techniques on sets of geochemical analyses with contrasted analytical methods or dates, demonstrates that the database is consistent. We applied a principal component analysis and cluster analysis on whole-rock major element compositions included in the database to study the spatial variation of the chemical composition of eruptive products in the Virunga Volcanic Province. These statistical analyses identify spatially distributed clusters of eruptive products. The known geochemical contrasts are highlighted by the spatial analysis, such as the unique geochemical signature of Nyiragongo lavas compared to other Virunga lavas, the geochemical heterogeneity of the Bulengo area, and the trachyte flows of Karisimbi volcano. Most importantly, we identified separate clusters of eruptive products which originate from primitive magmatic sources. These lavas of primitive composition are preferentially located along NE-SW inherited rift structures, often at distance from the central Virunga volcanoes. Our results illustrate the relevance of a spatial analysis on integrated geochemical data for a volcanic province, as a complement to classical petrological investigations. This approach indeed helps to characterise geochemical variations within a complex of magmatic systems and to identify specific petrologic and geochemical investigations that should be tackled within a study area.

Community-Based Development of Standards for Geochemical and Geochronological Data

NASA Astrophysics Data System (ADS)

Lehnert, K. A.; Walker, D.; Vinay, S.; Djapic, B.; Ash, J.; Falk, B.

2007-12-01

The Geoinformatics for Geochemistry (GfG) Program (www.geoinfogeochem.org) and the EarthChem project (www.earthchem.org) aim to maximize the application of geochemical data in Geoscience research and education by building a new advanced data infrastructure for geochemistry that facilitates the compilation, communication, serving, and visualization of geochemical data and their integration with the broad Geoscience data set. Building this new data infrastructure poses substantial challenges that are primarily cultural in nature, and require broad community involvement in the development and implementation of standards for data reporting (e.g., metadata for analytical procedures, data quality, and analyzed samples), data publication, and data citation to achieve broad acceptance and use. Working closely with the science community, with professional societies, and with editors and publishers, recommendations for standards for the reporting of geochemical and geochronological data in publications and to data repositories have been established, which are now under consideration for adoption in journal and agency policies. The recommended standards are aligned with the GfG and EarthChem data models as well as the EarthChem XML schema for geochemical data. Through partnerships with other national and international data management efforts in geochemistry and in the broader marine and terrestrial geosciences, GfG and EarthChem seek to integrate their development of geochemical metadata standards, data format, and semantics with relevant existing and emerging standards and ensure compatibility and compliance.

Leveling data in geochemical mapping: scope of application, pros and cons of existing methods

NASA Astrophysics Data System (ADS)

Pereira, Benoît; Vandeuren, Aubry; Sonnet, Philippe

2017-04-01

Geochemical mapping successfully met a range of needs from mineral exploration to environmental management. In Europe and around the world numerous geochemical datasets already exist. These datasets may originate from geochemical mapping projects or from the collection of sample analyses requested by environmental protection regulatory bodies. Combining datasets can be highly beneficial for establishing geochemical maps with increased resolution and/or coverage area. However this practice requires assessing the equivalence between datasets and, if needed, applying data leveling to remove possible biases between datasets. In the literature, several procedures for assessing dataset equivalence and leveling data are proposed. Daneshfar & Cameron (1998) proposed a method for the leveling of two adjacent datasets while Pereira et al. (2016) proposed two methods for the leveling of datasets that contain records located within the same geographical area. Each discussed method requires its own set of assumptions (underlying populations of data, spatial distribution of data, etc.). Here we propose to discuss the scope of application, pros, cons and practical recommendations for each method. This work is illustrated with several case studies in Wallonia (Southern Belgium) and in Europe involving trace element geochemical datasets. References: Daneshfar, B. & Cameron, E. (1998), Leveling geochemical data between map sheets, Journal of Geochemical Exploration 63(3), 189-201. Pereira, B.; Vandeuren, A.; Govaerts, B. B. & Sonnet, P. (2016), Assessing dataset equivalence and leveling data in geochemical mapping, Journal of Geochemical Exploration 168, 36-48.

Hydrologic and geochemical approaches for determining ground-water flow components

USGS Publications Warehouse

Hjalmarson, H.W.; Robertson, F.N.

1991-01-01

Lyman Lake is an irrigation-storage reservoir on the Little Colorado River near St. Johns, Arizona. The main sources of water for the lake are streamflow in the Little Colorado River and ground-water inflow from the underlying Coconino aquifer. Two approaches, a hydrologic analysis and a geochemical analysis, were used to compute the quantity of ground-water flow to and from Lyman Lake. Hydrologic data used to calculate a water budget were precipitation on the lake, evaporation from the lake, transpiration from dense vegetation, seepage through the dam, streamflow in and out of the lake, and changes in lake storage. Geochemical data used to calculate the ground-water flow components were major ions, trace elements, and the stable isotopes of hydrogen and oxygen. During the study, the potentiometric level of the Coconino aquifer was above the lake level at the upstream end of the lake and below the lake level at the downstream end. Hydrologic and geochemical data indicate that about 10 percent and 8 percent, respectively, of the water in the lake is ground-water inflow and that about 35 percent of the water in the Little Colorado River 6 miles downgradient from the lake near Salado Springs is ground water. These independent estimates of ground-water flow derived from each approach are in agreement and support a conceptual model of the water budget.

Isotope-Geochemical Evidence for the Nature of Protolite Eclogite of the Kokchetav Massif (Kazakhstan)

NASA Astrophysics Data System (ADS)

Shatsky, V. S.; Skuzovatov, S. Yu.; Ragozin, A. L.; Dril, S. I.

2018-03-01

In the present paper, the results of our isotope-geochemical studies on eclogites of the ultrahighpressure metamorphic complex of the Kokchetav massif are reported. The fact that the distribution of nonmobile elements in most of the samples was close to that of E-type MORB basalts is shown by using geochemical multielement diagrams normalized to N-MORB. Six samples were found to have a negative anomaly over niobium that may have resulted from contamination with crustal material. For eclogites of the Kokchetav massif, the 147Sm/144Nd ratio was found to range widely from 0.143 to 0.367. The ɛNd-values calculated for the age of the highly barometric stage of metamorphism (530 million years) varied from-10.3 to +8.1. Eclogites show a dispersion of model ages from 1.95 billion years to 670 million years. On the graphs in the ɛNd( T)-87Sr/86Sr and ɛNd( T)- T coordinates, eclogites were shown to form trends that can be interpreted as a result of contamination of the eclogite protolith by the host rocks. Based on the data obtained, it is proposed that the basalts of rift zones that may have geochemical characteristics of N-MORB basalts and at the same time may be contaminated by the continental crust may have served as proxies for eclogite protoliths of the Kokchetav massif.

Paleoproterozoic snowball earth: extreme climatic and geochemical global change and its biological consequences

NASA Technical Reports Server (NTRS)

Kirschvink, J. L.; Gaidos, E. J.; Bertani, L. E.; Beukes, N. J.; Gutzmer, J.; Maepa, L. N.; Steinberger, R. E.

2000-01-01

Geological, geophysical, and geochemical data support a theory that Earth experienced several intervals of intense, global glaciation ("snowball Earth" conditions) during Precambrian time. This snowball model predicts that postglacial, greenhouse-induced warming would lead to the deposition of banded iron formations and cap carbonates. Although global glaciation would have drastically curtailed biological productivity, melting of the oceanic ice would also have induced a cyanobacterial bloom, leading to an oxygen spike in the euphotic zone and to the oxidative precipitation of iron and manganese. A Paleoproterozoic snowball Earth at 2.4 Giga-annum before present (Ga) immediately precedes the Kalahari Manganese Field in southern Africa, suggesting that this rapid and massive change in global climate was responsible for its deposition. As large quantities of O(2) are needed to precipitate this Mn, photosystem II and oxygen radical protection mechanisms must have evolved before 2.4 Ga. This geochemical event may have triggered a compensatory evolutionary branching in the Fe/Mn superoxide dismutase enzyme, providing a Paleoproterozoic calibration point for studies of molecular evolution.

Analysis of the geochemical gradient created by surface-groundwater interactions within riverbanks of the East River in Crested Butte, Colorado

NASA Astrophysics Data System (ADS)

Lunzer, J.; Williams, K. H.; Malenda, H. F.; Nararne-Sitchler, A.

2016-12-01

An improved understanding of the geochemical gradient created by the mixing of surface and groundwater of a river system will have considerable impact on our understanding of microorganisms, organic cycling and biogeochemical processes within these zones. In this study, the geochemical gradient in the hyporheic zone is described using a variety of geochemical properties. A system of shallow groundwater wells were installed in a series of transects along a stream bank. Each transect consists of several wells that progress away from the river bank in a perpendicular fashion. From these wells, temperature, conductivity and pH of water samples were obtained via hand pumping or bailing. These data show a clear geochemical gradient that displays a distinct zone in the subsurface where the geochemical conditions change from surface water dominated to groundwater dominated. For this study, the East River near Crested Butte, Colorado has been selected as the river of interest due the river being a relatively undisturbed floodplain. Additionally, the specific section chosen on the East River displays relatively high sinuosity meaning that these meandering sections will produce hyporheic zones that are more laterally expansive than what would be expected on a river of lower sinuosity. This increase in lateral extension of the hyporheic zone will make depicting the subtle changes in the geochemical gradient much easier than that of a river system in which the hyporheic zone is not as laterally extensive. Data has been and will be continued to be collected at different river discharges to evaluate the geochemical gradient at differing rates. Overall, this characterization of the geochemical gradient along stream banks will produce results that will aid in the further use of geochemical methods to classify and understand hyporheic exchange zones and the potential expansion of these techniques to river systems of differing geologic and geographic conditions.

Geochemistry and origin of regional dolomites

NASA Astrophysics Data System (ADS)

Hanson, G. N.; Meyers, W. J.

1989-12-01

The major goal of the carbonate research program at Stony Brook is to better understand the conditions and processes leading to regional diagenesis of carbonate rocks. Our research focuses on studies of ancient, massive dolostones, but we are also studying limestone diagenesis for its own importance, and as it relates to dolomitization. Our approach has been to carry out a very detailed petrographic and geochemical case study to the Mississippian Burlington-Keokuk Fms. of Iowa, Illinois and Missouri, and to develop this as a testing ground for new geochemical and modelling techniques, and for testing various models for regional dolomitization in epicontinental carbonates. The ideas and techniques developed in our Burlington-Keokuk studies are being expanded and applied to carbonate sequences of other ages (Devonian to Neogene), and other tectono-sedimentary settings. The emphasis of this report will be on new developments and results on the Burlington-Keokuk studies and on our diagenetic studies of other strata. Recent research on Burlington-Keokuk rocks include development and application of boron isotopes and the U--Th--Pb system to dolomite studies, investigations of porosity and permeability in the dolostones. Projects on other strata include dolomitization and limestones diagenesis of Devonian carbonates of Alberta and Western Australia, Miocene reefal carbonates of Spain, Neogene carbonates of Curacao and Bonaire, Waulsortian limestones of Ireland, modelling of trace elements and stable isotopes, and experimental growth of calcites to investigate crystallographic controls of trace element incorporation.

Experimental Investigations of the Weathering of Suspended Sediment by Alpine Glacial Meltwater

NASA Astrophysics Data System (ADS)

Brown, Giles H.; Tranter, M.; Sharp, M. J.

1996-04-01

The magnitude and processes of solute acquisition by dilute meltwater in contact with suspended sediment in the channelized component of the hydroglacial system have been investigated through a suite of controlled laboratory experiments. Constrained by field data from Haut Glacier d'Arolla, Valais, Switzerland the effects of the water to rock ratio, particle size, crushing, repeated wetting and the availability of protons on the rate of solute acquisition are demonstrated. These free-drift experiments suggest that the rock flour is extremely geochemically reactive and that dilute quickflow waters are certain to acquire solute from suspended sediment. These data have important implications for hydrological interpretations based on the solute content of glacial meltwater, mixing model calculations, geochemical denudation rates and solute provenance studies.

Elemental mobility in sulfidic mine tailings reclaimed with paper mill by-products as sealing materials.

PubMed

Jia, Yu; Stahre, Nanna; Mäkitalo, Maria; Maurice, Christian; Öhlander, Björn

2017-09-01

Sealing layers made of two alkaline paper mill by-products, fly ash and green liquor dregs, were placed on top of 50-year-old sulfide-containing tailings as a full-scale remediation approach. The performance and effectiveness of the sealing layers with high water content for an oxygen barrier and low hydraulic conductivity for a sealing layer in preventing the formation of acid rock drainage were evaluated 5 years after the remediation. The leaching behavior of the covered tailings was studied using batch leaching tests (L/S ratio 10 L/kg). The leaching results revealed that, in general, the dregs- and ash-covered tailings released relatively lower concentrations of many elements contained in acid rock drainage compared to those from the uncovered tailings. A change in the chemical composition and mineralogical state of the tailings was observed for the tailings beneath the covers. The increase in pH caused by the alkaline materials promoted metal precipitation. Geochemical modeling using PHREEQC confirmed most of the geochemical changes of the covered tailings. Both the ash and dregs showed potential to function as sealing materials in terms of their geochemical properties. However, mobilization of Zn and Ni from the lower part of the dregs-covered tailings was observed. The same phenomenon was observed for the lower part of the ash-covered tailings. Ash showed advantages over dregs as a cover material; based on geochemical studies, the ash immobilized more elements than the dregs did. Lysimeters were installed below the sealing layers, and infiltrating water chemistry and hydrology were studied to monitor the amount and quality of the leachate percolating through.

A study of the Ljubljansko polje aquifer system behaviour and its simulations using multi-tools

NASA Astrophysics Data System (ADS)

Vrzel, J.; Ludwig, R.; Vižintin, G.; Ogrinc, N.

2017-12-01

Our study of comprehensive hydrological system behaviour, where understanding of the interfaces between groundwater and surface water is crucial, includes geochemical analyses for identification of groundwater sources (δ18O and δ2H) and estimation of groundwater mean residence time (3H, 3H/3He). The results of the geochemical analyses were compared with long-term data on precipitation, river discharge, hydraulic head, and groundwater pumping rate. The study is representative for the Ljubljansko polje in Slovenia, which belongs to the Sava River basin. The results show that the Sava River water and local precipitation are the main groundwater sources in this alluvial aquifer with high system sensitivity to both sources, which ranged from a day to a month. For a simulation of such a sensitive system different tools describing water cycle were coupled: simulation of the percolation of the local precipitation was done with the WaSiM-ETH, while the river and groundwater dynamics were performed with the MIKE 11 and FEFLOW, respectively. The WaSiM-ETH and MIKE 11 results were later employed as the upper boundary conditions in the FEFLOW model. The models have high spatial and daily temporal resolutions. A good agreement between geochemical data and modeling results was observed with two main highlights: (1) groundwater sources are in accordance with hydraulic heads and the Sava River water level/precipitation; (2) responsiveness of the aquifer on the high water level in the Sava River and on precipitation events is also synchronic with the mean groundwater residence time. The study shows that links between MIKE 11-FEFLOW-WaSiM-ETH tools is a great solution for a precise groundwater flow simulation, since all the tools are compatible and at the moment there is no routine approach for a precise parallel simulation of groundwater and surface water dynamics. The Project was financially supported by the the EU 7th Research Project - GLOBAQUA.

Multifractal and Singularity Maps of soil surface moisture distribution derived from 2D image analysis.

NASA Astrophysics Data System (ADS)

Cumbrera, Ramiro; Millán, Humberto; Martín-Sotoca, Juan Jose; Pérez Soto, Luis; Sanchez, Maria Elena; Tarquis, Ana Maria

2016-04-01

Soil moisture distribution usually presents extreme variation at multiple spatial scales. Image analysis could be a useful tool for investigating these spatial patterns of apparent soil moisture at multiple resolutions. The objectives of the present work were (i) to describe the local scaling of apparent soil moisture distribution and (ii) to define apparent soil moisture patterns from vertical planes of Vertisol pit images. Two soil pits (0.70 m long × 0.60 m width × 0.30 m depth) were excavated on a bare Mazic Pellic Vertisol. One was excavated in April/2011 and the other pit was established in May/2011 after 3 days of a moderate rainfall event. Digital photographs were taken from each Vertisol pit using a Kodak™ digital camera. The mean image size was 1600 × 945 pixels with one physical pixel ≈373 μm of the photographed soil pit. For more details see Cumbrera et al. (2012). Geochemical exploration have found with increasingly interests and benefits of using fractal (power-law) models to characterize geochemical distribution, using the concentration-area (C-A) model (Cheng et al., 1994; Cheng, 2012). This method is based on the singularity maps of a measure that at each point define areas with self-similar properties that are shown in power-law relationships in Concentration-Area plots (C-A method). The C-A method together with the singularity map ("Singularity-CA" method) define thresholds that can be applied to segment the map. We have applied it to each soil image. The results show that, in spite of some computational and practical limitations, image analysis of apparent soil moisture patterns could be used to study the dynamical change of soil moisture sampling in agreement with previous results (Millán et al., 2016). REFERENCES Cheng, Q., Agterberg, F. P. and Ballantyne, S. B. (1994). The separation of geochemical anomalies from background by fractal methods. Journal of Geochemical Exploration, 51, 109-130. Cheng, Q. (2012). Singularity theory and methods for mapping geochemical anomalies caused by buried sources and for predicting undiscovered mineral deposits in covered areas. Journal of Geochemical Exploration, 122, 55-70. Cumbrera, R., Ana M. Tarquis, Gabriel Gascó, Humberto Millán (2012) Fractal scaling of apparent soil moisture estimated from vertical planes of Vertisol pit images. Journal of Hydrology (452-453), 205-212. Martin Sotoca; J.J. Antonio Saa-Requejo, Juan Grau and Ana M. Tarquis (2016). Segmentation of singularity maps in the context of soil porosity. Geophysical Research Abstracts, 18, EGU2016-11402. Millán, H., Cumbrera, R. and Ana M. Tarquis (2016) Multifractal and Levy-stable statistics of soil surface moisture distribution derived from 2D image analysis. Applied Mathematical Modelling, 40(3), 2384-2395.

Geochemical evolution of groundwater in the Mud Lake area, eastern Idaho, USA

USGS Publications Warehouse

Rattray, Gordon W.

2015-01-01

Groundwater with elevated dissolved-solids concentrations—containing large concentrations of chloride, sodium, sulfate, and calcium—is present in the Mud Lake area of Eastern Idaho. The source of these solutes is unknown; however, an understanding of the geochemical sources and processes controlling their presence in groundwater in the Mud Lake area is needed to better understand the geochemical sources and processes controlling the water quality of groundwater at the Idaho National Laboratory. The geochemical sources and processes controlling the water quality of groundwater in the Mud Lake area were determined by investigating the geology, hydrology, land use, and groundwater geochemistry in the Mud Lake area, proposing sources for solutes, and testing the proposed sources through geochemical modeling with PHREEQC. Modeling indicated that sources of water to the eastern Snake River Plain aquifer were groundwater from the Beaverhead Mountains and the Camas Creek drainage basin; surface water from Medicine Lodge and Camas Creeks, Mud Lake, and irrigation water; and upward flow of geothermal water from beneath the aquifer. Mixing of groundwater with surface water or other groundwater occurred throughout the aquifer. Carbonate reactions, silicate weathering, and dissolution of evaporite minerals and fertilizer explain most of the changes in chemistry in the aquifer. Redox reactions, cation exchange, and evaporation were locally important. The source of large concentrations of chloride, sodium, sulfate, and calcium was evaporite deposits in the unsaturated zone associated with Pleistocene Lake Terreton. Large amounts of chloride, sodium, sulfate, and calcium are added to groundwater from irrigation water infiltrating through lake bed sediments containing evaporite deposits and the resultant dissolution of gypsum, halite, sylvite, and bischofite.

A conceptual hydrogeologic model for the hydrogeologic framework, geochemistry, and groundwater-flow system of the Edwards-Trinity and related aquifers in the Pecos County region, Texas

USGS Publications Warehouse

Thomas, Jonathan V.; Stanton, Gregory P.; Bumgarner, Johnathan R.; Pearson, Daniel K.; Teeple, Andrew; Houston, Natalie A.; Payne, Jason; Musgrove, MaryLynn

2013-01-01

Several previous studies have been done to compile or collect physical and chemical data, describe the hydrogeologic processes, and develop conceptual and numerical groundwater-flow models of the Edwards-Trinity aquifer in the Trans-Pecos region. Documented methods were used to compile and collect groundwater, surface-water, geochemical, geophysical, and geologic information that subsequently were used to develop this conceptual model.

Is rhizosphere remediation sufficient for sustainable revegetation of mine tailings?

PubMed

Huang, Longbin; Baumgartl, Thomas; Mulligan, David

2012-07-01

Revegetation of mine tailings (fine-grained waste material) starts with the reconstruction of root zones, consisting of a rhizosphere horizon (mostly topsoil and/or amended tailings) and the support horizon beneath (i.e. equivalent to subsoil - mostly tailings), which must be physically and hydro-geochemically stable. This review aims to discuss key processes involved in the development of functional root zones within the context of direct revegetation of tailings and introduces a conceptual process of rehabilitating structure and function in the root zones based on a state transition model. Field studies on the revegetation of tailings (from processing base metal ore and bauxite residues) are reviewed. Particular focus is given to tailings' properties that limit remediation effectiveness. Aspects of root zone reconstruction and vegetation responses are also discussed. When reconstructing a root zone system, it is critical to restore physical structure and hydraulic functions across the whole root zone system. Only effective and holistically restored systems can control hydro-geochemical mobility of acutely and chronically toxic factors from the underlying horizon and maintain hydro-geochemical stability in the rhizosphere. Thereafter, soil biological capacity and ecological linkages (i.e. carbon and nutrient cycling) may be rehabilitated to integrate the root zones with revegetated plant communities into sustainable plant ecosystems. A conceptual framework of system transitions between the critical states of root zone development has been proposed. This will illustrate the rehabilitation process in root zone reconstruction and development for direct revegetation with sustainable plant communities. Sustainable phytostabilization of tailings requires the systematic consideration of hydro-geochemical interactions between the rhizosphere and the underlying supporting horizon. It further requires effective remediation strategies to develop hydro-geochemically stable and biologically functional root zones, which can facilitate the recovery of the microbial community and ecological linkages with revegetated plant communities.

Geochemical Controls on the Partitioning and Hydrological Transport of Metals in a Human Impacted, Non-Acidic, River System

NASA Astrophysics Data System (ADS)

Thorslund, J.; Jarsjo, J.; Wällstedt, T.; Morth, C. M.; Lychagin, M.; Chalov, S.

2014-12-01

The knowledge of coupled processes controlling the spreading and fate of metals in non-acidic river systems is currently much more limited than the knowledge of metal behavior under acidic conditions (e.g., in acid mine drainage systems). Critical geochemical controls governing metal speciation may thus differ substantially between acidic and non-acidic hydrological systems. We here aim at expanding the knowledge of metals in non-acidic river systems, by considering a high pH river, influenced by mining by the largest gold mining area in the Mongolian part of the transboundary Lake Baikal drainage basin. The combined impact of geochemical and hydrological processes is investigated, to be able to understand the solubility of various heavy metals, their partitioning between particulate and dissolved phase and its impact on overall transport. We show, through site specific measurements and a geochemical modelling approach, that the combined effects of precipitation of ferrihydrite and gibbsite and associated sorption complexes of several metals can explain the high impact of suspended transport relative to total transport often seen under non-acidic conditions. Our results also identifies the phosphate mineral Hydroxyapatite as a potential key sorption site for many metals, which has both site specific and general relevance for metal partitioning under non-acidic conditions. However, an adsorption database, which is currently unavailable for hydroxyapatite, needs to be developed for appropriate sorption quantification. Furthermore, Cd, Fe, Pb and Zn were particularly sensitive to increasing DOC concentrations, which increased the solubility of these metals due to metal-organic complexation. Modeling the sensitivity to changes in geochemical parameters showed that decreasing pH and increasing DOC concentrations in downstream regions would increase the dissolution and hence the toxicity and bioavailability of many pollutants of concern in the downstream ecosystem. In general, this study suggests that in non-acidic hydrological systems, both seasonality of DOC concentrations (which could vary by several 100%), changing DOC concentrations (resulting from climate and land use changes) and potential phosphate solids can majorly influence on the spreading and toxicity of several metals.

Concerning evaluation of eco-geochemical background in remediation strategy

NASA Astrophysics Data System (ADS)

Korobova, Elena; Romanov, Sergey

2015-04-01

The geochemical concept of biosphere developed by V.I. Vernadsky states the geological role of the living organisms in the course of their active chemical interaction with the inert matter (Vernadsky, 1926, 1960). Basing on this theory it is reasonable to suggest that coevolution of living organisms and their environment led to development of the dynamically stable biogeocenoses precisely adequate to their geochemical environment. Soil cover was treated by V.I. Vernadsky as a balanced bio-inert matter resulting from this interaction. Appearance of human mind and then a civilization led to global expansion of human beings, first able to survive in unfavorable geochemical conditions and then starting chemical transformation of the environment to satisfy the growing demands of mankind in food and energy. The residence in unfavorable environment and local contamination was followed by appearance of endemic diseases of plants, animals and man. Therefore zonal, regional and local chemical composition of the soil cover formed in natural conditions may be used for estimation of the optimum geochemical background, most adequate for the corresponding zonal biogeocenoses and species. Moreover, the natural geochemical background and technogenic fields have unequal spatial structure and this facilitates their identification that may be relatively easy realized in remediation strategy. On the assumption of the foregoing, the adequate methodical approach to remediation of technogenically affected areas should account of the interaction of the existing natural and the newly formed technogenic geochemical fields and include the following steps: 1) the study and mapping of geochemical structure of the natural geochemical background basing on soil maps; 2) the study of contaminants and mapping spatial distribution of technogenic releases; 3) construction of risk maps for the target risk groups with due regard to natural ecological threshold concentration in context of risk degree for plants and animals (Kovalsky, 1974; Letunova, Kovalsky, 1978, Ermakov, 1999). Obtained zones of different eco-geochemical risk need particular strategy basing on maximum possible correspondence to the natural geochemical conditions. For example, the assessment of effects of the nuclear accident in any case needs taking into account the synergetic results of ionizing radiation in different eco-geochemical conditions. In this respect the most contaminated areas should be withdrawn from living but some spatial arable lands can be used for seeds or technical crops production. The less contaminated areas still used in agriculture need shifting to fodder or species giving non-contaminated products (e.g. oil). Wet meadows of superaqueous landscapes with a relatively high radionuclide transfer to the plants should be excluded from grazing but other areas with lower transfer to forage may be used. In all the cases the resultant remediation should achieve first of all the maximum decrease of the summary negative health effect for the residents or working personnel. References Vernadsky V.I., 1926. Biosphere. Leningrad, Nauch. khim.-tekhn. izd-vo, 147 p. Vernadsky V.I., 1960. Selected works, Vol. 5. Moscow, izd-vo AN SSSR, 422 p. Kovalsky V.V., 1974. Geochemical ecology. Moscow, Nauka, Letunova S.V., Kovalsky V.V., 1978. Geochemical ecology of microorganisms. Moscow, Nauka, 148 pp. Ermakov V.V., 1999.Geochemical ecology as a result of the system-based study of the biosphere. Problems of biogeochemistry and geochemical ecology. Transactions of the Biogeochem. Lab., 23, Moscow, Nauka, 152-182.

Actinide geochemistry: from the molecular level to the real system.

PubMed

Geckeis, Horst; Rabung, Thomas

2008-12-12

Geochemical processes leading to either mobilization or retention of radionuclides in an aquifer system are significantly influenced by their interaction with rock, sediment and colloid surfaces. Therefore, a sound safety assessment of nuclear waste disposal requires the elucidation and quantification of those processes. State-of-the-art analytical techniques as e.g. laser- and X-ray spectroscopy are increasingly applied to study solid-liquid interface reactions to obtain molecular level speciation insight. We have studied the sorption of trivalent lanthanides and actinides onto aluminium oxides, hydroxides and purified clay minerals by the time-resolved laser fluorescence spectroscopy and X-ray-absorption spectroscopy. Chemical constitution and structure of surface bound actinides are proposed based on spectroscopic information. Open questions still remain with regard to the exact nature of mineral surface ligands and the mineral/water interface. Similarities of spectroscopic data obtained for M(III) sorbed onto gamma-alumina, and clay minerals suggest the formation of very comparable inner-sphere surface complexes such as S-O-An(III)(OH)x(2-x)(H2O)5-x at pH > 5. Those speciation data are found consistent with those predicted by surface complexation modelling. The applicability of data obtained for pure mineral phases to actinide sorption onto heterogeneously composed natural clay rock is examined by experiments and by geochemical modelling. Good agreement of experiment and model calculations is found for U(VI) and trivalent actinide/lanthanide sorption to natural clay rock. The agreement of spectroscopy, geochemical modelling and batch experiments with natural rock samples and purified minerals increases the reliability in model predictions. The assessment of colloid borne actinide migration observed in various laboratory and field studies calls for detailed information on actinide-colloid interaction. Kinetic stabilization of colloid bound actinides can be due to inclusion into inorganic colloid matrix or by macromolecular rearrangement in case of organic, humic/fulvic like colloids. Only a combination of spectroscopy, microscopy and classical batch sorption experiments can help to elucidate the actinide-colloid interaction mechanisms and thus contribute to the assessment of colloids for radionuclide migration.

Exploratory and spatial data analysis (EDA-SDA) for determining regional background levels and anomalies of potentially toxic elements in soils from Catorce-Matehuala, Mexico

USGS Publications Warehouse

Chiprés, J.A.; Castro-Larragoitia, J.; Monroy, M.G.

2009-01-01

The threshold between geochemical background and anomalies can be influenced by the methodology selected for its estimation. Environmental evaluations, particularly those conducted in mineralized areas, must consider this when trying to determinate the natural geochemical status of a study area, quantifying human impacts, or establishing soil restoration values for contaminated sites. Some methods in environmental geochemistry incorporate the premise that anomalies (natural or anthropogenic) and background data are characterized by their own probabilistic distributions. One of these methods uses exploratory data analysis (EDA) on regional geochemical data sets coupled with a geographic information system (GIS) to spatially understand the processes that influence the geochemical landscape in a technique that can be called a spatial data analysis (SDA). This EDA-SDA methodology was used to establish the regional background range from the area of Catorce-Matehuala in north-central Mexico. Probability plots of the data, particularly for those areas affected by human activities, show that the regional geochemical background population is composed of smaller subpopulations associated with factors such as soil type and parent material. This paper demonstrates that the EDA-SDA method offers more certainty in defining thresholds between geochemical background and anomaly than a numeric technique, making it a useful tool for regional geochemical landscape analysis and environmental geochemistry studies.

Summary geochemical map for samples of rock, stream sediment, and nonmagnetic heavy-mineral concentrate, Freel and Dardanelles Roadless Areas, Alpine and El Dorado Counties, California

USGS Publications Warehouse

Chaffee, M.A.

1985-01-01

Geochemical sampling was conducted during 1978 and 1979.  This report summarizes the reults of that investigation and provides details of the geochemical evaluation used in producing the final mineral resource assessment of the study area (John, Armin, Plouff, Chaffee, Peters, and others, 1983).

A coupled THC model of the FEBEX in situ test with bentonite swelling and chemical and thermal osmosis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zheng, L.; Samper, J.; Montenegro, L.

The performance assessment of a geological repository for radioactive waste requires quantifying the geochemical evolution of the bentonite engineered barrier. This barrier will be exposed to coupled thermal (T), hydrodynamic (H), mechanical (M) and chemical (C) processes. This paper presents a coupled THC model of the FEBEX (Full-scale Engineered Barrier EXperiment) in situ test which accounts for bentonite swelling and chemical and thermal osmosis. Model results attest the relevance of thermal osmosis and bentonite swelling for the geochemical evolution of the bentonite barrier while chemical osmosis is found to be almost irrelevant. The model has been tested with data collectedmore » after the dismantling of heater 1 of the in situ test. The model reproduces reasonably well the measured temperature, relative humidity, water content and inferred geochemical data. However, it fails to mimic the solute concentrations at the heater-bentonite and bentonite-granite interfaces because the model does not account for the volume change of bentonite, the CO{sub 2}(g) degassing and the transport of vapor from the bentonite into the granite. The inferred HCO{sub 3}{sup -} and pH data cannot be explained solely by solute transport, calcite dissolution and protonation/deprotonation by surface complexation, suggesting that such data may be affected also by other reactions.« less

Geochemical modeling of reactions and partitioning of trace metals and radionuclides during titration of contaminated acidic sediments.

PubMed

Zhang, Fan; Luo, Wensui; Parker, Jack C; Spalding, Brian P; Brooks, Scott C; Watson, David B; Jardine, Philip M; Gu, Baohua

2008-11-01

Many geochemical reactions that control aqueous metal concentrations are directly affected by solution pH. However, changes in solution pH are strongly buffered by various aqueous phase and solid phase precipitation/dissolution and adsorption/desorption reactions. The ability to predict acid-base behavior of the soil-solution system is thus critical to predict metal transport under variable pH conditions. This studywas undertaken to develop a practical generic geochemical modeling approach to predict aqueous and solid phase concentrations of metals and anions during conditions of acid or base additions. The method of Spalding and Spalding was utilized to model soil buffer capacity and pH-dependent cation exchange capacity by treating aquifer solids as a polyprotic acid. To simulate the dynamic and pH-dependent anion exchange capacity, the aquifer solids were simultaneously treated as a polyprotic base controlled by mineral precipitation/ dissolution reactions. An equilibrium reaction model that describes aqueous complexation, precipitation, sorption and soil buffering with pH-dependent ion exchange was developed using HydroGeoChem v5.0 (HGC5). Comparison of model results with experimental titration data of pH, Al, Ca, Mg, Sr, Mn, Ni, Co, and SO4(2-) for contaminated sediments indicated close agreement suggesting that the model could potentially be used to predictthe acid-base behavior of the sediment-solution system under variable pH conditions.

Reactive transport modeling in fractured rock: A state-of-the-science review

NASA Astrophysics Data System (ADS)

MacQuarrie, Kerry T. B.; Mayer, K. Ulrich

2005-10-01

The field of reactive transport modeling has expanded significantly in the past two decades and has assisted in resolving many issues in Earth Sciences. Numerical models allow for detailed examination of coupled transport and reactions, or more general investigation of controlling processes over geologic time scales. Reactive transport models serve to provide guidance in field data collection and, in particular, enable researchers to link modeling and hydrogeochemical studies. In this state-of-science review, the key objectives were to examine the applicability of reactive transport codes for exploring issues of redox stability to depths of several hundreds of meters in sparsely fractured crystalline rock, with a focus on the Canadian Shield setting. A conceptual model of oxygen ingress and redox buffering, within a Shield environment at time and space scales relevant to nuclear waste repository performance, is developed through a review of previous research. This conceptual model describes geochemical and biological processes and mechanisms materially important to understanding redox buffering capacity and radionuclide mobility in the far-field. Consistent with this model, reactive transport codes should ideally be capable of simulating the effects of changing recharge water compositions as a result of long-term climate change, and fracture-matrix interactions that may govern water-rock interaction. Other aspects influencing the suitability of reactive transport codes include the treatment of various reaction and transport time scales, the ability to apply equilibrium or kinetic formulations simultaneously, the need to capture feedback between water-rock interactions and porosity-permeability changes, and the representation of fractured crystalline rock environments as discrete fracture or dual continuum media. A review of modern multicomponent reactive transport codes indicates a relatively high-level of maturity. Within the Yucca Mountain nuclear waste disposal program, reactive transport codes of varying complexity have been applied to investigate the migration of radionuclides and the geochemical evolution of host rock around the planned disposal facility. Through appropriate near- and far-field application of dual continuum codes, this example demonstrates how reactive transport models have been applied to assist in constraining historic water infiltration rates, interpreting the sealing of flow paths due to mineral precipitation, and investigating post-closure geochemical monitoring strategies. Natural analogue modeling studies, although few in number, are also of key importance as they allow the comparison of model results with hydrogeochemical and paleohydrogeological data over geologic time scales.

The IUGS/IAGC Task Group on Global Geochemical Baselines

USGS Publications Warehouse

Smith, David B.; Wang, Xueqiu; Reeder, Shaun; Demetriades, Alecos

2012-01-01

The Task Group on Global Geochemical Baselines, operating under the auspices of both the International Union of Geological Sciences (IUGS) and the International Association of Geochemistry (IAGC), has the long-term goal of establishing a global geochemical database to document the concentration and distribution of chemical elements in the Earth’s surface or near-surface environment. The database and accompanying element distribution maps represent a geochemical baseline against which future human-induced or natural changes to the chemistry of the land surface may be recognized and quantified. In order to accomplish this long-term goal, the activities of the Task Group include: (1) developing partnerships with countries conducting broad-scale geochemical mapping studies; (2) providing consultation and training in the form of workshops and short courses; (3) organizing periodic international symposia to foster communication among the geochemical mapping community; (4) developing criteria for certifying those projects whose data are acceptable in a global geochemical database; (5) acting as a repository for data collected by those projects meeting the criteria for standardization; (6) preparing complete metadata for the certified projects; and (7) preparing, ultimately, a global geochemical database. This paper summarizes the history and accomplishments of the Task Group since its first predecessor project was established in 1988.

Hydrometric, Hydrochemical, and Hydrogeophysical Runoff Characterization Across Multiple Land Covers in the Agua Salud Project, Panama

NASA Astrophysics Data System (ADS)

Litt, Guy Finley

As the Panama Canal Authority faces sensitivity to water shortages, managing water resources becomes crucial for the global shipping industry's security. These studies address knowledge gaps in tropical water resources to aid hydrological model development and validation. Field-based hydrological investigations in the Agua Salud Project within the Panama Canal Watershed employed multiple tools across a variety of land covers to investigate hydrological processes. Geochemical tracers informed where storm runoff in a stream comes from and identified electrical conductivity (EC) as an economical, high sample frequency tracer during small storms. EC-based hydrograph separation coupled with hydrograph recession rate analyses identified shallow and deep groundwater storage-discharge relationships that varied by season and land cover. A series of plot-scale electrical resistivity imaging geophysical experiments coupled with rainfall simulation characterized subsurface flow pathway behavior and quantified respectively increasing infiltration rates across pasture, 10 year old secondary succession forest, teak (tectona grandis), and 30 year old secondary succession forest land covers. Additional soil water, groundwater, and geochemical studies informed conceptual model development in subsurface flow pathways and groundwater, and identified future research needs.

Concerning initial and secondary character of radionuclide distribution in elementary landscape geochemical systems

NASA Astrophysics Data System (ADS)

Korobova, Elena; Romanov, Sergey

2017-04-01

Specificity of radionuclide distribution in elementary landscape geochemical systems (ELGS) treated as local system of geochemically linked elementary terrestrial units (in toposequence: watershed-slope-closing depression), belongs to one of the less investigated but practically significant problems of current geochemistry. First measurements after the Chernobyl accident showed a considerable variation of Cs-137 distribution in all examined ELGS (Shcheglov et al, 2001; Romanov, 1989; Korobova, Korovaykov, 1990; Linnik, 2008). The results may be interpreted in frames of two alternative hypotheses: 1) irregularity of the initial contamination; 2) secondary redistribution of the initially regular level of fallout. But herewith only a disproof of the first hypothesis automatically justifies the second one. Factors responsible for initial irregularity of surface contamination included: 1) the presence of the so-called "hot" particles in the initial fallout; 2) interception of radionuclides by forest canopy; 3) irregular aerial particles deposition; 4) uneven initial precipitation. Basing on monitoring Cs-137 spatial distribution that has been performed since 2005, we demonstrate that the observed spatial irregularity in distribution of Cs-137 in ELGS reflects a purely secondary distribution of initial reserves of radionuclides in fallout matter due to its migration with water in local geochemical systems. This statement has some significant consequences. 1. Mechanism of migration of matter in ELGS is complicated and could not be reduced solely to a primitive moving from watershed to closing depression. 2. The control of migration of "labeled atoms" (Cs-137) permits to understand common mechanism of migration of water in all systems on the level of ELGS. 3. Understanding formation of the structure of contamination zones in ELGS permits to use mathematical model to solve the inverse problem of restoration of the initially equable level of their contamination. Performed study confirms that Cs-137 as a label helps to trace processes and patterns of chemical elements' migration on the level of ELGS that are numerously reproduced elsewhere in natural systems. The study is aimed at and believed to provide solution for a number of important problems related to generation and evolution of soil structure, spatial redistribution of fertilizers and pesticides, other important processes of matter redistribution on the level of local LGS. References Korobova E.M., Korovaykov P.A., 1990. Landscape and geochemical approach to drawing up a soil distribution profile for Chernobyl radionuclides in distant areas //Seminar "Comparative assessment of the environmental impact of radionuclides released during three major nuclear accidents: Kyshtum, Windscale, Chernobyl". V. 1. Luxembourg, 309-327. Linnik V.G., 2008. Landscape differentiation of technogenic radionuclides: geoinformation systems and models. Thesis. Moscow: Moscow State University, 42 p. Romanov S.L., 1989. Principles of formation of radionuclide dispersion and concentration fields // Abstracts of the All-Union Conference "Principles and methods of landscape geochemical studies of radionuclide migration". Moscow: Vernadsky Institute, p. 46. Shcheglov A.I., Tsvetnova O.B., KlyashtorinA.L., 2001. Biogeochemical migration of technogenic radionuclides in forest ecosystems. Moscow: Nauka, 235 p.

Geochemical Exploration Techniques Applicable in the Search for Copper Deposits

USGS Publications Warehouse

Chaffee, Maurice A.

1975-01-01

Geochemical exploration is an important part of copper-resource evaluation. A large number of geochemical exploration techniques, both proved and untried, are available to the geochemist to use in the search for new copper deposits. Analyses of whole-rock samples have been used in both regional and local geochemical exploration surveys in the search for copper. Analyses of mineral separates, such as biotite, magnetite, and sulfides, have also been used. Analyses of soil samples are widely used in geochemical exploration, especially for localized surveys. It is important to distinguish between residual and transported soil types. Orientation studies should always be conducted prior to a geochemical investigation in a given area in order to determine the best soil horizon and the best size of soil material for sampling in that area. Silty frost boils, caliche, and desert varnish are specialized types of soil samples that might be useful sampling media. Soil gas is a new and potentially valuable geochemical sampling medium, especially in exploring for buried mineral deposits in arid regions. Gaseous products in samples of soil may be related to base-metal deposits and include mercury vapor, sulfur dioxide, hydrogen sulfide, carbon oxysulfide, carbon dioxide, hydrogen, oxygen, nitrogen, the noble gases, the halogens, and many hydrocarbon compounds. Transported materials that have been used in geochemical sampling programs include glacial float boulders, glacial till, esker gravels, stream sediments, stream-sediment concentrates, and lake sediments. Stream-sediment sampling is probably the most widely used and most successful geochemical exploration technique. Hydrogeochemical exploration programs have utilized hot- and cold-spring waters and their precipitates as well as waters from lakes, streams, and wells. Organic gel found in lakes and at stream mouths is an unproved sampling medium. Suspended material and dissolved gases in any type of water may also be useful media. Samples of ice and snow have been used for limited geochemical surveys. Both geobotanical and biogeochemical surveys have been successful in locating copper deposits in many parts of the world. Micro-organisms, including bacteria and algae, are other unproved media that should be studied. Animals can be used in geochemical-prospecting programs. Dogs have been used quite successfully to sniff out hidden and exposed sulfide minerals. Tennite mounds are commonly composed of subsurface material, but have not as yet proved to be useful in locating buried mineral deposits. Animal tissue and waste products are essentially unproved but potentially valuable sampling media. Knowledge of the location of areas where trace-element-associated diseases in animals and man are endemic as well as a better understanding of these diseases, may aid in identifying regions that are enriched in or depleted of various elements, including copper. Results of analyses of gases in the atmosphere are proving valuable in mineral-exploration surveys. Studies involving metallic compounds exhaled by plants into the atmosphere, and of particulate matter suspended in the atmosphere are reviewed these methods may become important in the future. Remote-sensing techniques are useful for making indirect measurements of geochemical responses. Two techniques applicable to geochemical exploration are neutron-activation analysis and gamma-ray spectrometry. Aerial photography is especially useful in vegetation surveys. Radar imagery is an unproved but potentially valuable method for use in studies of vegetation in perpetually clouded regions. With the advent of modern computers, many new techniques, such as correlation analysis, regression analysis, discriminant analysis, factor analysis, cluster analysis, trend-surface analysis, and moving-average analysis can be applied to geochemical data sets. Selective use of these techniques can provide new insights into the interpretatio

Rare earth element geochemistry of shallow carbonate outcropping strata in Saudi Arabia: Application for depositional environments prediction

NASA Astrophysics Data System (ADS)

Eltom, Hassan A.; Abdullatif, Osman M.; Makkawi, Mohammed H.; Eltoum, Isam-Eldin A.

2017-03-01

The interpretation of depositional environments provides important information to understand facies distribution and geometry. The classical approach to interpret depositional environments principally relies on the analysis of lithofacies, biofacies and stratigraphic data, among others. An alternative method, based on geochemical data (chemical element data), is advantageous because it can simply, reproducibly and efficiently interpret and refine the interpretation of the depositional environment of carbonate strata. Here we geochemically analyze and statistically model carbonate samples (n = 156) from seven sections of the Arab-D reservoir outcrop analog of central Saudi Arabia, to determine whether the elemental signatures (major, trace and rare earth elements [REEs]) can be effectively used to predict depositional environments. We find that lithofacies associations of the studied outcrop (peritidal to open marine depositional environments) possess altered REE signatures, and that this trend increases stratigraphically from bottom-to-top, which corresponds to an upward shallowing of depositional environments. The relationship between REEs and major, minor and trace elements indicates that contamination by detrital materials is the principal source of REEs, whereas redox condition, marine and diagenetic processes have minimal impact on the relative distribution of REEs in the lithofacies. In a statistical model (factor analysis and logistic regression), REEs, major and trace elements cluster together and serve as markers to differentiate between peritidal and open marine facies and to differentiate between intertidal and subtidal lithofacies within the peritidal facies. The results indicate that statistical modelling of the elemental composition of carbonate strata can be used as a quantitative method to predict depositional environments and regional paleogeography. The significance of this study lies in offering new assessments of the relationships between lithofacies and geochemical elements by using advanced statistical analysis, a method that could be used elsewhere to interpret depositional environment and refine facies models.

Geochemical maps of stream sediments in central Colorado, from New Mexico to Wyoming

USGS Publications Warehouse

Eppinger, Robert G.; Giles, Stuart A.; Klein, Terry L.

2015-01-01

The U.S. Geological Survey has completed a series of geologic, mineral resource, and environmental assessment studies in the Rocky Mountains of central Colorado, from Leadville eastward to the range front and from New Mexico to the Wyoming border. Regional stream-sediment geochemical maps, useful for assessing mineral resources and environmental effects of historical mining activities, were produced as part of the study. The data portrayed in this 56-parameter portfolio of landscape geochemical maps serve as a geochemical baseline for the region, indicate element abundances characteristic of various lithologic terranes, and identify gross anthropogenic effects of historical mining. However, although reanalyzed in this study by modern, sensitive methods, the majority of the stream-sediment samples were collected in the 1970s. Thus, metal concentrations portrayed in these maps represent stream-sediment geochemistry at the time of collection.

Geochemical typification of kimberlite and related rocks of the North Anabar region, Yakutia

NASA Astrophysics Data System (ADS)

Kargin, A. V.; Golubeva, Yu. Yu.

2017-11-01

The results of geochemical typification of kimberlites and related rocks (alneites and carbonatites) of the North Anabar region are presented with consideration of the geochemical specification of their source and estimation of their potential for diamonds. The content of representative trace elements indicates the predominant contribution of an asthenospheric component (kimberlites and carbonatites) in their source, with a subordinate contribution of vein metasomatic formations containing Cr-diopside and ilmenite. A significant contribution of water-bearing potassium metasomatic parageneses is not recognized. According to the complex of geochemical data, the studied rocks are not industrially diamondiferous.

Use of Geochemical Indices in Environmental Assessment of Soil; the Predictable and the Predictably Unpredictable

NASA Astrophysics Data System (ADS)

Mikkonen, Hannah; Clarke, Bradley; van de Graaff, Robert; Reichman, Suzie

2016-04-01

Geochemical correlations between common contaminants (Pb, Ni, As, Cr, Co and Zn) and earth metals, Fe and Mn, have been recommended as empirical tools to estimate "background" concentrations of metals in soil. A limited number of studies indicate that geochemical ratios between Pb, Ni, As, Cr, Co, V and Zn with scavenger metals Fe or Mn, are consistent between soils collected from different regions (Hamon et al. 2004, Myers and Thorbjornsen 2004). These studies have resulted in the incorporation of geochemical indices into Australian guidance, for derivation of ecological investigation levels for Ni, Cr, Cu and Zn. However, little research has been undertaken to assess the variation of geochemical patterns between soils derived from different parent materials or different weathering environments. A survey of background soils derived from four different parent materials, across Victoria, Australia, was undertaken, comprising collection of samples (n=640) from the surface (0 to 0.1 m) and sub-surface (0.3 to 0.6 m). Soil samples were collected from urban and rural areas of low disturbance, away from point sources of contamination. Samples were analysed for metals/metalloids and soil physical and chemical properties. Statistical review of results included regression and multivariate analysis. The results of the soil survey were compared against geochemical relationships reported within Australia and internationally. Compilation of results from this study and international data sets, indicates that geochemical relationships for metals Cr and V (in the format of log[Cr] = alog[Fe] +c) are predictable, not only between soils derived from different parent materials, but also between soils of different continents. Conversely, relationships between Zn and Fe, Pb and Fe, Cu and Fe, Co and Mn are variable, particularly within soils derived from alluvial sediments, which may have undergone periods of reducing conditions, resulting in dissociation from metal oxides. Broad application of geochemical indices without an understanding of site specific conditions could result in significant underestimation of anthropogenic impacts to soil and potential risks to the environment. The reliability and application of geochemical indices for estimation of background concentrations will be discussed, including comment on statistical limitations, (such as management of censored results and the behaviour of composition data) and miss-use/miss-interpretation of geochemical indices within the environmental assessment industry, including inferences of causation based on empirical relationships. HAMON, R. E., MCLAUGHLIN, M. J., GILKES, R. J., RATE, A. W., ZARCINAS, B., ROBERTSON, A., COZENS, G., RADFORD, N. & BETTENAY, L. 2004. Geochemical indices allow estimation of heavy metal background concentrations in soils. Global Biogeochemical Cycles, 18, GB1014. MYERS, J. & THORBJORNSEN, K. 2004. Identifying Metals Contamination in Soil: A Geochemical Approach. Soil & Sediment Contamination, 13, 1-16.

Evaluating the Effect of Autogenic Sedimentation on the Preservation of Climate Proxy Records: Modeling and Examples from the Paleocene Eocene Thermal Maximum

NASA Astrophysics Data System (ADS)

Trampush, S. M.; Hajek, E. A.

2016-12-01

The stratigraphic record provides a vital opportunity to investigate how changes in climate can impact many different landscapes and seascapes. However, the inherent variability in sedimentation within many depositional environments may mask or remove the signature of climate change. A common solution is to use geochemical proxies - usually collected at regular stratigraphic intervals - to independently identify climate events. This approach doesn't account for the potentially significant variability in deposition and erosion time series resulting from autogenic landscape dynamics. In order to explore how geochemical proxy records could be overprinted by landscape dynamics, we use a 1D stochastic sedimentation model where we mimic fluvial, lacustrine, shallow marine, and deep marine environmental dynamics by varying the frequency-magnitude distributions of sedimentation rates. We find that even conservative estimates of the frequency and magnitude of stochastic sedimentation variability can heavily modify proxy records in characteristic ways by alternately removing, compressing, and expanding portions of the record, regardless of the magnitude or duration of the climatic event. Our model results are consistent with observations of the carbon isotope excursions of the Paleocene Eocene Thermal Maximum (PETM) preserved within both fluvial (e.g. the Bighorn Basin, Wyoming and the Piceance Basin, Colorado) and shallow marine (e.g. the New Jersey shelf) deposits. Our results suggest that we may be able to use existing geochemical proxy records within well studied, global climate events, such as the PETM, to constrain the variability in sedimentation present within different depositional environments.

Coupling between geochemical reactions and multicomponent gas and solute transport in unsaturated media: A reactive transport modeling study

USGS Publications Warehouse

Molins, S.; Mayer, K.U.

2007-01-01

The two‐way coupling that exists between biogeochemical reactions and vadose zone transport processes, in particular gas phase transport, determines the composition of soil gas. To explore these feedback processes quantitatively, multicomponent gas diffusion and advection are implemented into an existing reactive transport model that includes a full suite of geochemical reactions. Multicomponent gas diffusion is described on the basis of the dusty gas model, which accounts for all relevant gas diffusion mechanisms. The simulation of gas attenuation in partially saturated landfill soil covers, methane production, and oxidation in aquifers contaminated by organic compounds (e.g., an oil spill site) and pyrite oxidation in mine tailings demonstrate that both diffusive and advective gas transport can be affected by geochemical reactions. Methane oxidation in landfill covers reduces the existing upward pressure gradient, thereby decreasing the contribution of advective methane emissions to the atmosphere and enhancing the net flux of atmospheric oxygen into the soil column. At an oil spill site, methane oxidation causes a reversal in the direction of gas advection, which results in advective transport toward the zone of oxidation both from the ground surface and the deeper zone of methane production. Both diffusion and advection contribute to supply atmospheric oxygen into the subsurface, and methane emissions to the atmosphere are averted. During pyrite oxidation in mine tailings, pressure reduction in the reaction zone drives advective gas flow into the sediment column, enhancing the oxidation process. In carbonate‐rich mine tailings, calcite dissolution releases carbon dioxide, which partly offsets the pressure reduction caused by O2 consumption.

CO2 flux from Javanese mud volcanism

NASA Astrophysics Data System (ADS)

Queißer, M.; Burton, M. R.; Arzilli, F.; Chiarugi, A.; Marliyani, G. I.; Anggara, F.; Harijoko, A.

2017-06-01

Studying the quantity and origin of CO2 emitted by back-arc mud volcanoes is critical to correctly model fluid-dynamical, thermodynamical, and geochemical processes that drive their activity and to constrain their role in the global geochemical carbon cycle. We measured CO2 fluxes of the Bledug Kuwu mud volcano on the Kendeng Fold and thrust belt in the back arc of Central Java, Indonesia, using scanning remote sensing absorption spectroscopy. The data show that the expelled gas is rich in CO2 with a volume fraction of at least 16 vol %. A lower limit CO2 flux of 1.4 kg s-1 (117 t d-1) was determined, in line with the CO2 flux from the Javanese mud volcano LUSI. Extrapolating these results to mud volcanism from the whole of Java suggests an order of magnitude total CO2 flux of 3 kt d-1, comparable with the expected back-arc efflux of magmatic CO2. After discussing geochemical, geological, and geophysical evidence we conclude that the source of CO2 observed at Bledug Kuwu is likely a mixture of thermogenic, biogenic, and magmatic CO2, with faulting controlling potential pathways for magmatic fluids. This study further demonstrates the merit of man-portable active remote sensing instruments for probing natural gas releases, enabling bottom-up quantification of CO2 fluxes.

Geochemical characterisation of seepage and drainage water quality from two sulphide mine tailings impoundments: Acid mine drainage versus neutral mine drainage

USGS Publications Warehouse

Heikkinen, P.M.; Raisanen, M.L.; Johnson, R.H.

2009-01-01

Seepage water and drainage water geochemistry (pH, EC, O2, redox, alkalinity, dissolved cations and trace metals, major anions, total element concentrations) were studied at two active sulphide mine tailings impoundments in Finland (the Hitura Ni mine and Luikonlahti Cu mine/talc processing plant). The data were used to assess the factors influencing tailings seepage quality and to identify constraints for water treatment. Changes in seepage water quality after equilibration with atmospheric conditions were evaluated based on geochemical modelling. At Luikonlahti, annual and seasonal changes were also studied. Seepage quality was largely influenced by the tailings mineralogy, and the serpentine-rich, low sulphide Hitura tailings produced neutral mine drainage with high Ni. In contrast, drainage from the high sulphide, multi-metal tailings of Luikonlahti represented typical acid mine drainage with elevated contents of Zn, Ni, Cu, and Co. Other factors affecting the seepage quality included weathering of the tailings along the seepage flow path, process water input, local hydrological settings, and structural changes in the tailings impoundment. Geochemical modelling showed that pH increased and some heavy metals were adsorbed to Fe precipitates after net alkaline waters equilibrated with the atmosphere. In the net acidic waters, pH decreased and no adsorption occurred. A combination of aerobic and anaerobic treatments is proposed for Hitura seepages to decrease the sulphate and metal loading. For Luikonlahti, prolonged monitoring of the seepage quality is suggested instead of treatment, since the water quality is still adjusting to recent modifications to the tailings impoundment.

Preliminary Report on U-Th-Pb Isotope Systematics of the Olivine-Phyric Shergottite Tissint

NASA Technical Reports Server (NTRS)

Moriwaki, R.; Usui, T.; Yokoyama, T.; Simon, J. I.; Jones, J. H.

2014-01-01

Geochemical studies of shergottites suggest that their parental magmas reflect mixtures between at least two distinct geochemical source reservoirs, producing correlations between radiogenic isotope compositions, and trace element abundances.. These correlations have been interpreted as indicating the presence of a reduced, incompatible-element- depleted reservoir and an oxidized, incompatible-element-rich reservoir. The former is clearly a depleted mantle source, but there has been a long debate regarding the origin of the enriched reservoir. Two contrasting models have been proposed regarding the location and mixing process of the two geochemical source reservoirs: (1) assimilation of oxidized crust by mantle derived, reduced magmas, or (2) mixing of two distinct mantle reservoirs during melting. The former clearly requires the ancient martian crust to be the enriched source (crustal assimilation), whereas the latter requires a long-lived enriched mantle domain that probably originated from residual melts formed during solidification of a magma ocean (heterogeneous mantle model). This study conducts Pb isotope and U-Th-Pb concentration analyses of the olivine-phyric shergottite Tissint because U-Th-Pb isotope systematics have been intensively used as a powerful radiogenic tracer to characterize old crust/sediment components in mantle- derived, terrestrial oceanic island basalts. The U-Th-Pb analyses are applied to sequential acid leaching fractions obtained from Tissint whole-rock powder in order to search for Pb isotopic source components in Tissint magma. Here we report preliminary results of the U-Th-Pb analyses of acid leachates and a residue, and propose the possibility that Tissint would have experienced minor assimilation of old martian crust.

Acid rock drainage passive remediation using alkaline clay: Hydro-geochemical study and impacts of vegetation and sand on remediation.

PubMed

Plaza, Fernando; Wen, Yipei; Liang, Xu

2018-10-01

Acid rock drainage (ARD) is one of the most adverse environmental problems of the mine industry, especially in regions with an abundance of coal refuse (CR) deposits (e.g. the Northern Appalachian Coalfield in the USA) where surface and ground waters are affected by this pollution due to the acidity and high content of sulfates and heavy metals. This study explores the effectiveness of the ARD passive remediation method using alkaline clay (AC) through a series of static and long-term kinetic laboratory experiments (over three years) complemented with field measurements and geochemical modeling. Two important issues associated with this passive and auto-sustainable ARD remediation method were investigated: 1) the hydrogeochemical study of the mixture in terms of the percentages of AC and CR, and, 2) impacts of vegetation cover and a saturated sand barrier on the remediation. Both the field measurements and the samples used for the experiments came from a local coal waste site. Through the analysis of the field measurements and the outcome of the laboratory experiments and the geochemical modeling, alkaline clay proved to be an effective remediation material for ARD, in terms of achieving a neutral pH in the leachate and immobilization of sulfate and metals such as Fe, Mn, Cu, Zn, Ni, Pb, Cd, Co. Moreover, it has been demonstrated that the use of vegetation and a saturated sand barrier are beneficial. Vegetation acted as a phytoaccumulation/phytoextraction agent, causing an additional immobilization of metals. The saturated sand barrier blocked downward the oxygen and water diffusion, reducing pyrite oxidation rates. The proposed remediation approach ensures that the acidity consumption will likely occur before all the alkalinity is exhausted. Copyright © 2018 Elsevier B.V. All rights reserved.

A geochemical and geophysical reappraisal to the significance of the recent unrest at Campi Flegrei caldera (Southern Italy)

NASA Astrophysics Data System (ADS)

Moretti, Roberto; De Natale, Giuseppe; Troise, Claudia

2017-03-01

Volcanic unrest at calderas involves complex interaction between magma, hydrothermal fluids, and crustal stress and strain. Campi Flegrei caldera (CFc), located in the Naples (Italy) area and characterized by the highest volcanic risk on Earth for the extreme urbanization, undergoes unrest phenomena involving several meters of uplift and intense shallow microseismicity since several decades. Despite unrest episodes display in the last decade only moderate ground deformation and seismicity, current interpretations of geochemical data point to a highly pressurized hydrothermal system. We show that at CFc, the usual assumption of vapor-liquid coexistence in the fumarole plumes leads to largely overestimated hydrothermal pressures and, accordingly, interpretations of elevated unrest. By relaxing unconstrained geochemical assumptions, we infer an alternative model yielding better agreement between geophysical and geochemical observations. The model reconciles discrepancies between what observed (1) for two decades since the 1982-1984 large unrest, when shallow magma was supplying heat and fluids to the hydrothermal system, and (2) in the last decade. Compared to the 1980's unrest, the post-2005 phenomena are characterized by much lower aquifers overpressure and magmatic involvement, as indicated by geophysical data and despite large changes in geochemical indicators. Our interpretation points out a model in which shallow sills, intruded during 1969-1984, have completely cooled, so that fumarole emissions are affected now by deeper, CO2-richer, magmatic gases producing the modest heating and overpressure of the hydrothermal system. Our results have important implications on the short-term eruption hazard assessment and on the best strategies for monitoring and interpreting geochemical data.