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USGS2009

Mapping potentialy asbestos-bearing rocks using imaging spectroscopy

Rock and soil that may contain naturally occurring asbestos (NOA), a known human carcinogen, were mapped in the Sierra Nevada, California, using the Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) to determine if these materials could be uniquely identified with spectroscopy. Such information can be used to prepare or refine maps of areas that may contain minerals that can be asbestiform, such as serpentine and tremolite-actinolite, which were the focus of this study. Although thick vegetation can conceal underlying rock and soil, use of linear-mixture spectra calculated from spectra of dry grass and serpentine allowed detection of serpentine in some parts of the study area with up to ~80% dry-grass cover. Chaparral vegetation, which was dominantly, but not exclusively, found in areas underlain by serpentinized ultramafic rocks, was also mapped. Overall, field checking at 201 sites indicated highly accurate identification by AVIRIS of mineral (94%) and vegetation (89%) categories. Practical applications of AVIRIS to mapping areas that may contain NOA include locating roads that are surfaced with serpentine aggregate, identifying sites that may require enhanced dust control or other safety measures, and filling gaps in geologic mapping where field access is limited.

Geology↗

USGS2013

Characterization of oil shale, isolated kerogen, and post-pyrolysis residues using advanced 13 solid-state nuclear magnetic resonance spectroscopy

Characterization of oil shale kerogen and organic residues remaining in postpyrolysis spent shale is critical to the understanding of the oil generation process and approaches to dealing with issues related to spent shale. The chemical structure of organic matter in raw oil shale and spent shale samples was examined in this study using advanced solid-state 13 C nuclear magnetic resonance (NMR) spectroscopy. Oil shale was collected from Mahogany zone outcrops in the Piceance Basin. Five samples were analyzed: (1) raw oil shale, (2) isolated kerogen, (3) oil shale extracted with chloroform, (4) oil shale retorted in an open system at 500°C to mimic surface retorting, and (5) oil shale retorted in a closed system at 360°C to simulate in-situ retorting. The NMR methods applied included quantitative direct polarization with magic-angle spinning at 13 kHz, cross polarization with total sideband suppression, dipolar dephasing, CH n selection, 13 C chemical shift anisotropy filtering, and 1 H- 13 C long-range recoupled dipolar dephasing. The NMR results showed that, relative to the raw oil shale, (1) bitumen extraction and kerogen isolation by demineralization removed some oxygen-containing and alkyl moieties; (2) unpyrolyzed samples had low aromatic condensation; (3) oil shale pyrolysis removed aliphatic moieties, leaving behind residues enriched in aromatic carbon; and (4) oil shale retorted in an open system at 500°C contained larger aromatic clusters and more protonated aromatic moieties than oil shale retorted in a closed system at 360°C, which contained more total aromatic carbon with a wide range of cluster sizes.

American Association of Petroleum Geologists Bulle↗

USGS2024

Crystal structure refinement and Mössbauer spectroscopy of an ordered, triclinic clinochlore

The crystal structure of a natural, ordered IIb-4 triclinic clinochlore has been refined in space group C 1¯ from 4282 unique X-ray intensity measurements of which 3833 are greater than 3 times the statistical counting error (3σ). Unit cell parameters are a = 5.3262(6) Å; b = 9.226(1) Å; c = 14.334(3) Å; α = 90.56(2)°; β = 97.47(2)°; and γ = 89.979(9)°, which represents the greatest deviation from monoclinic symmetry yet recorded for a triclinic chlorite. The final weighted R is 0.059 for reflections with I > 3σ and 0.064 for all reflections. The chemical formula is (Mg 0.966 Fe 0.034 ) M1 (Mg 0.962 Fe 0.038 ) M2 2 (Si 2.96 Al 1.04 )O 10 (OH) 2 (Mg 0.996 Fe 0.004 ) M3 2 (Al 0.841 Fe III 0.102 Cr 0.004 Ti 0.004 ) M4 (OH) 6 , which is consistent with electron microprobe (EMP), wet chemical analyses, Mössbauer spectroscopy and X-ray structure refinement. The high degree of ordering of the divalent versus trivalent octahedral cations in the interlayer is noteworthy, with Fe III and Al in M4 and virtually no Fe in M3. In the 2:1 layer, M1 and M2 each contain similar amounts of Fe. The 2 tetrahedral sites have nearly identical mean oxygen distances and volumes, and thus show no evidence of long-range cation ordering.

Clays and Clay Minerals↗

USGS2012

Strategies for soil quality assessment using VNIR gyperspectral spectroscopy in a western Kenya Chronosequence

Visible and near-infrared reflectance spectroscopy (VNIRS) is a rapid and nondestructive method that can predict multiple soil properties simultaneously, but its application in multidimensional soil quality (SQ) assessment in the tropics still needs to be further assessed. In this study, VNIRS (350–2500 nm) was employed to analyze 227 air-dried soil samples of Ultisols from a soil chronosequence in western Kenya and assess 16 SQ indicators. Partial least squares regression (PLSR) was validated using the full-site cross-validation method by grouping samples from each farm or forest site. Most suitable models successfully predicted SQ indicators (R 2 ≥ 0.80; ratio of performance to deviation [RPD] ≥ 2.00) including soil organic matter (OM LOI ), active C, Ca, cation exchange capacity (CEC), and clay. Moderately-well predicted indicators (0.50 ≤ R 2 < 0.80; 1.40 ≤ RPD < 2.00) were water stable aggregation (WSA), Cu, silt, Mg, pH, sand, water content at permanent wilting point (Θ pwp ), and field capacity (Θ fc ). Poorly predicted indicators (R 2 < 0.50; RPD < 1.40) were EC, S, P, available water capacity (AWC), K, Zn, and penetration resistance. Combining VNIRS with selected field- and laboratory-measured SQ indicator values increased predictability. Furthermore, VNIRS showed moderate to substantial agreement in predicting interpretive SQ scores and a composite soil quality index (CSQI) especially when combined with directly measured SQ indicator values. In conclusion, VNIRS has good potential for low cost, rapid assessment of physical and biological SQ indicators but conventional soil chemical tests may need to be retained to provide comprehensive SQ assessments.

Western Kenya↗

USGS2018

Characterizing the source of potentially asbestos-bearing commercial vermiculite insulation using in situ IR spectroscopy

Commercially produced vermiculite insulation from Libby, Montana, contains trace levels of asbestiform amphibole, which is known to cause asbestos-related diseases. When vermiculite insulation is found in a building, evaluation for its potential asbestos content traditionally involves collecting a sample from an attic or wall and submitting it for time-consuming analyses at an off-site laboratory. The goal of this study was to determine if in situ near-infrared reflectance measurements could be used to reliably identify the source of vermiculite ore and therefore its potential to contain asbestos. Spectra of 52 expanded ore samples, including attic insulation, commercial packing materials, and horticultural products from Libby, Montana; Louisa, Virginia; Enoree, South Carolina; Palabora, South Africa; and Jiangsu, China, were measured with a portable spectrometer. The mine sources for these vermiculite ores were identified based on collection location, when known, and on differences in elemental composition as measured by electron probe microanalysis. Reflectance spectra of the insulation samples show vibrational overtone and combination absorptions that vary in wavelength position and relative intensity depending on elemental composition and proportions of their constituent micas (i.e., vermiculite ore usually consists of a mixture of hydrobiotite and vermiculite mineral flakes). Band depth ratios of the 1.38/2.32, 1.40/1.42, and 2.24/2.38 μm absorptions allow determination of a vermiculite insulation's source and detection of its potential to contain amphibole, talc, and/or serpentine impurities. Spectroscopy cannot distinguish asbestiform vs. non-asbestiform amphiboles. However, if the spectrally determined mica composition and mineralogy of an insulation sample is consistent with ore from Libby, then it is likely that some portion of the sodic-calcic amphibole it contains is asbestiform, given that all of the nearly two dozen Libby vermiculite insulation samples examined with scanning electron microscopy in this study contain amphiboles. One sample of expanded vermiculite ore from multiple sources was recognized as a limitation of the spectral method, therefore an additional test (i.e., 2.24 μm absorption position vs. 2.24/2.38 μm band depth ratio) was incorporated into the spectral method to eliminate misclassification caused by such mixtures. With portable field spectrometers, the methodology developed can be used to determine vermiculite insulation's source and estimate its potential amphibole content, thereby providing low-cost analysis with onsite reporting to property owners.

American Mineralogist↗

USGS2018

Accurate predictions of microscale oxygen barometry in basaltic glasses using V K-edge X-ray absorption spectroscopy: A multivariate approach

Because magmatic oxygen fugacity ( f O2 ) exerts a primary control on the discrete vanadium (V) valence states that will exist in quenched melts, V valence proxies for f O2 , measured using X-ray absorption near-edge spectroscopy (XANES), can provide highly sensitive measurements of the redox conditions in basaltic melts. However, published calibrations for basaltic glasses primarily relate measured intensities of specific spectral features to V valence or oxygen fugacity. These models have not exploited information contained within the entire XANES spectrum, which also provide a measure of changes in V chemical state as a function of f O2 . Multivariate analysis (MVA) holds significant promise for the development of calibration models that employ the full XANES spectral range. In this study, new calibration models are developed using MVA partial least-squares (PLS) regression and least absolute shrinkage and selection operator (Lasso) regression to predict the f O2 of equilibration in glasses of basaltic composition directly. The models are then tested on a suite of natural glasses from mid-ocean ridge basalts and from Kilauea. The models relate the measured XANES spectral features directly to buffer-relative f O2 as the predicted variable, avoiding the need for an external measure of the V valence in the experimental glasses used to train the models. It is also shown that by predicting buffer-relative f O2 directly, these models also minimize temperature-relative uncertainties in the calibration. The calibration developed using the Lasso regression model, using a Lasso hyperparameter value of α = 0.0008, yields nickel-nickel oxide (NNO) relative f O2 predictions with a root-mean-square-error of ±0.33 log units. When applied to natural basaltic glasses, the V MVA calibration model generally yields predicted NNO-relative f O2 values that are within the analytical uncertainty of what is calculated using Fe XANES to predict Fe 3+ /ΣFe. When applied to samples of natural basaltic glass collected in 2014 from an active lava flow at Kilauea, a mean f O2 of NNO-1.15 ± 0.19 (1σ) is calculated, which is generally consistent with other published f O2 estimates for subaerial Kilauea lavas. When applied to a sample of pillow-rim basaltic glass dredged from the East Pacific Rise, calculated f O2 varies from NNO-2.67 (±0.33) to NNO-3.72 (±0.33) with distance from the quenched pillow rim. Fe oxybarometry in this sample provides an f O2 of NNO-2.54 ± 0.19 (1σ), which is in good agreement with that provided by the V oxybarometry within the uncertainties of the modeling. However, the data may indicate that V XANES oxybarometry has greater sensitivity to small changes in f O2 at these more reduced redox conditions than can be detected using Fe XANES.

Hawaii↗

USGS2013

Analysis of H 2 O in silicate glass using attenuated total reflectance (ATR) micro-FTIR spectroscopy

We present a calibration for attenuated total reflectance (ATR) micro-FTIR for analysis of H2O in hydrous glass. A Ge ATR accessory was used to measure evanescent wave absorption by H 2 O within hydrous rhyolite and other standards. Absorbance at 3450 cm −1 (representing total H 2 O or H 2 O t ) and 1630 cm −1 (molecular H 2 O or H 2 O m ) showed high correlation with measured H 2 O in the glasses as determined by transmission FTIR spectroscopy and manometry. For rhyolite, wt%H 2 O=245(±9)×A 3450 -0.22(±0.03) and wt%H 2 O m =235(±11)×A 1630 -0.20(±0.03) where A 3450 and A 1630 represent the ATR absorption at the relevant infrared wavelengths. The calibration permits determination of volatiles in singly polished glass samples with spot size down to ~5 μm (for H 2 O-rich samples) and detection limits of ~0.1 wt% H 2 O. Basaltic, basaltic andesite and dacitic glasses of known H 2 O concentrations fall along a density-adjusted calibration, indicating that ATR is relatively insensitive to glass composition, at least for calc-alkaline glasses. The following equation allows quantification of H 2 O in silicate glasses that range in composition from basalt to rhyolite: wt%H 2 O=(ω×A 3450 /ρ)+ b where ω = 550 ± 21, b = −0.19 ± 0.03, ρ = density, in g/cm 3 , and A 3450 is the ATR absorbance at 3450 cm −1 . The ATR micro-FTIR technique is less sensitive than transmission FTIR, but requires only a singly polished sample for quantitative results, thus minimizing time for sample preparation. Compared with specular reflectance, it is more sensitive and better suited for imaging of H 2 O variations in heterogeneous samples such as melt inclusions. One drawback is that the technique can damage fragile samples and we therefore recommend mounting of unknowns in epoxy prior to polishing. Our calibration should hold for any Ge ATR crystals with the same incident angle (31°). Use of a different crystal type or geometry would require measurement of several H 2 O-bearing standards to provide a crystal-specific calibration.

American Mineralogist↗

USGS2014

Arsenic speciation in solids using X-ray absorption spectroscopy

Synchrotron-based X-ray absorption spectroscopy (XAS) is an in situ , minimally-destructive, element-specific, molecular-scale structural probe that has been employed to study the chemical forms (species) of arsenic (As) in solid and aqueous phases (including rocks, soils, sediment, synthetic compounds, and numerous types of biota including humans) for more than 20 years. Although several excellent reviews of As geochemistry and As speciation in the environment have been published previously (including recent contributions in this volume), the explosion of As-XAS studies over the past decade (especially studies employing microfocused X-ray beams) warrants this new review of the literature and of data analysis methods. This review has two main sections. The first is a presentation of methods for sample preparation and for the collection, processing and analysis of As-XAS spectra. Since several more comprehensive reviews of the X-ray absorption theory and data collection methodology exist, this section is brief and focused specifically on As. The second section is a critical review of the As-XAS literature, arranged by sample type and accompanied by summary tables (collected as appendices at the end of the chapter). One of the most important aims of this review is to clarify the different types of analysis that are performed on As-XAS spectra, and to describe the benefits, drawbacks, and limitations of each. Arsenic XAS spectra are analyzed to obtain one or more of the following types of information (in increasing order of sophistication):

Reviews in Mineralogy and Geochemistry↗

USGS2010

A method for qualitative mapping of thick oil spills using imaging spectroscopy

A method is described to create qualitative images of thick oil in oil spills on water using near-infrared imaging spectroscopy data. The method uses simple 'three-point-band depths' computed for each pixel in an imaging spectrometer image cube using the organic absorption features due to chemical bonds in aliphatic hydrocarbons at 1.2, 1.7, and 2.3 microns. The method is not quantitative because sub-pixel mixing and layering effects are not considered, which are necessary to make a quantitative volume estimate of oil.

Open-File Report↗

USGS2010

A method for quantitative mapping of thick oil spills using imaging spectroscopy

In response to the Deepwater Horizon oil spill in the Gulf of Mexico, a method of near-infrared imaging spectroscopic analysis was developed to map the locations of thick oil floating on water. Specifically, this method can be used to derive, in each image pixel, the oil-to-water ratio in oil emulsions, the sub-pixel areal fraction, and its thicknesses and volume within the limits of light penetration into the oil (up to a few millimeters). The method uses the shape of near-infrared (NIR) absorption features and the variations in the spectral continuum due to organic compounds found in oil to identify different oil chemistries, including its weathering state and thickness. The method is insensitive to complicating conditions such as moderate aerosol scattering and reflectance level changes from other conditions, including moderate sun glint. Data for this analysis were collected by the NASA Airborne Visual Infrared Imaging Spectrometer (AVIRIS) instrument, which was flown over the oil spill on May 17, 2010. Because of the large extent of the spill, AVIRIS flight lines could cover only a portion of the spill on this relatively calm, nearly cloud-free day. Derived lower limits for oil volumes within the top few millimeters of the ocean surface directly probed with the near-infrared light detected in the AVIRIS scenes were 19,000 (conservative assumptions) to 34,000 (aggressive assumptions) barrels of oil. AVIRIS covered about 30 percent of the core spill area, which consisted of emulsion plumes and oil sheens. Areas of oil sheen but lacking oil emulsion plumes outside of the core spill were not evaluated for oil volume in this study. If the core spill areas not covered by flight lines contained similar amounts of oil and oil-water emulsions, then extrapolation to the entire core spill area defined by a MODIS (Terra) image collected on the same day indicates a minimum of 66,000 to 120,000 barrels of oil was floating on the surface. These estimates are preliminary and subject to revision pending further analysis. Based on laboratory measurements, near-infrared (NIR) photons penetrate only a few millimeters into oil-water emulsions. As such, the oil volumes derived with this method are lower limits. Further, the detection is only of thick surface oil and does not include sheens, underwater oil, or oil that had already washed onto beaches and wetlands, oil that had been burned or evaporated as of May 17. Because NIR light penetration within emulsions is limited, and having made field observations that oil emulsions sometimes exceeded 20 millimeters in thickness, we estimate that the volume of oil, including oil thicker than can be probed in the AVIRIS imagery, is possibly as high as 150,000 barrels in the AVIRIS scenes. When this value is projected to the entire spill, it gives a volume of about 500,000 barrels for thick oil remaining on the sea surface as of May 17. AVIRIS data cannot be used to confirm this higher volume, and additional field work including more in-situ measurements of oil thickness would be required to confirm this higher oil volume. Both the directly detected minimum range of oil volume, and the higher possible volume projection for oil thicker than can be probed with NIR spectroscopy imply a significantly higher total volume of oil relative to that implied by the early NOAA (National Oceanic and Atmospheric Administration) estimate of 5,000 barrels per day reported on their Web site.

Open-File Report↗

USGS2014

Characterization of potential mineralization in Afghanistan: four permissive areas identified using imaging spectroscopy data

As part of the U.S. Geological Survey and Department of Defense Task Force for Business and Stability Operations natural resources revitalization activities in Afghanistan, four permissive areas for mineralization, Bamyan 1, Farah 1, Ghazni 1, and Ghazni 2, have been identified using imaging spectroscopy data. To support economic development, the areas of potential mineralization were selected on the occurrence of selected mineral assemblages mapped using the HyMap™ data (kaolinite, jarosite, hydrated silica, chlorite, epidote, iron-bearing carbonate, buddingtonite, dickite, and alunite) that may be indicative of past mineralization processes in areas with limited or no previous mineral resource studies. Approximately 30 sites were initially determined to be candidates for areas of potential mineralization. Additional criteria and material used to refine the selection and prioritization process included existing geologic maps, Landsat Thematic Mapper data, and published literature. The HyMapTM data were interpreted in the context of the regional geologic and tectonic setting and used the presence of alteration mineral assemblages to identify areas with the potential for undiscovered mineral resources. Further field-sampling, mapping, and supporting geochemical analyses are necessary to fully substantiate and verify the specific deposit types in the four areas of potential mineralization.

Bamyan;Farah;Ghazni↗

USGS2022

Characterization of the partial oxidation products of crude oil contaminating groundwater at the U.S. Geological Survey Bemidji research site in Minnesota by elemental analysis, radiocarbon dating, nuclear magnetic resonance spectroscopy, and Fourier transform ion cyclotron resonance mass spectrometry

In oil spill research, a topic of increasing attention during the last decade has been the environmental impact of the partial oxidation products that result from transformation of the petroleum in freshwater, marine, and terrestrial ecosystems. This report describes the isolation and characterization of the partial oxidation products from crude oil contaminating groundwater at the long-term U.S. Geological Survey Bemidji research site in Minnesota. As the result of a pipeline burst in August 1979, a body of light aliphatic crude oil is present from the land surface to 2 meters below the water table in a shallow sand and gravel aquifer in a remote area outside Bemidji, Minnesota, United States. Biodegradation has resulted in the formation of a plume of dissolved organic carbon (DOC) downgradient from the oil body. Groundwater has also been contaminated in an area known as the spray zone, from vertical infiltration of DOC resulting from biodegradation of oil in the soil column, and possibly from photooxidation of oil at the soil surface. The majority of DOC in the contaminated groundwater is in the form of nonvolatile organic acids (NVOAs) which represent the partial oxidation products of the crude oil constituents. The NVOAs have been classified into three fractions according to their isolation on XAD resins: hydrophobic neutrals (HPON), hydrophobic acids (HPOA), and hydrophilic acids (HPIA). These fractions of NVOAs were isolated from wells downgradient from the oil body (sampling well numbers 533, 532, 530, 515), in the spray zone (603), and from an uncontaminated well upgradient of the oil body (310) between the years 1986 and 1989, and again from wells 530 and 603 in 1998. The samples have been characterized by elemental analysis, radiocarbon dating, carbon-13 nuclear magnetic resonance spectroscopy ( 13 C NMR), and negative-mode (-) electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FTICR-MS), with a particular focus on fractions from wells 310, 530, and 603. All the characterization data indicate that the NVOAs from contaminated wells are distinguishable from the background DOC. Carbon-14 ( 14 C) ages of NVOAs from contaminated wells ranged from 3,615 to 18,985 years before the present, whereas the background DOC from the aquifer was post-bomb (post 1950). By elemental analysis, NVOAs from contaminated wells had higher sulfur but lower nitrogen contents than the background. By electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry, number average molecular weights determined from assigned molecular formulas ranged from 416 to 486 daltons for the HPOA and HPIA fractions from both background and contaminant wells. NVOAs from contaminated wells had significantly greater numbers of assigned molecular formulas containing sulfur, with elevated concentrations of the S 1 O 4-10 species in particular. Compared to the background, HPOA and HPIA fractions from contaminant wells had a broader range of double bond equivalents (DBEs) within O n compound classes (n is number of atoms). Additionally, within O n compound classes, contaminant well HPOA fractions had a greater abundance of lower n (less than eight) than the background. Contaminant well double bond equivalents versus carbon number (C # ) plots of oxygen compound classes suggest oil-derived aliphatic compounds in the range from C 12 to C 22 in HPOA and HPIA fractions and oil-derived compounds containing aromatic or saturated rings in the approximate range from C 20 to C 30 are present in HPOA fractions. The data suggest the NVOAs originate from biodegradation of several classes of C 12 and greater crude oil constituents: sulfur-containing constituents, including possibly the resins and asphaltenes; constituents containing aromatic rings substituted with methyl groups, including alkylaromatic and naph- thenoaromatic compounds, and C 12 to C 22 alkyl constituents. The overall similarities of the carbon-13 nuclear magnetic resonance spectra for the well 603 and 530 samples from the two sampling dates suggest that a steady state in the composition of the partial oxidation products in each of the two wells had been reached between 1986–1989 and 1998.

Minnesota↗

USGS2023

An algorithm for correction of atmospheric scattering dilution effects in volcanic gas emission measurements using skylight differential optical absorption spectroscopy

Differential Optical Absorption Spectroscopy (DOAS) is commonly used to measure gas emissions from volcanoes. DOAS instruments measure the absorption of solar ultraviolet (UV) radiation scattered in the atmosphere by sulfur dioxide (SO 2 ) and other trace gases contained in volcanic plumes. The standard spectral retrieval methods assume that all measured light comes from behind the plume and has passed through the plume along a straight line. However, a fraction of the light that reaches the instrument may have been scattered beneath the plume and thus has passed around it. Since this component does not contain the absorption signatures of gases in the plume, it effectively “dilutes” the measurements and causes underestimation of the gas abundance in the plume. This dilution effect is small for clean-air conditions and short distances between instrument and plume. However, plume measurements made at long distance and/or in conditions with significant atmospheric aerosol, haze, or clouds may be severely affected. Thus, light dilution is regarded as a major error source in DOAS measurements of volcanic degassing. Several attempts have been made to model the phenomena and the physical mechanisms are today relatively well understood. However, these models require knowledge of the local atmospheric aerosol composition and distribution, parameters that are almost always unknown. Thus, a practical algorithm to quantitatively correct for the dilution effect is still lacking. Here, we propose such an algorithm focused specifically on SO 2 measurements. The method relies on the fact that light absorption becomes non-linear for high SO 2 loads, and that strong and weak SO 2 absorption bands are unequally affected by the diluting signal. These differences can be used to identify when dilution is occurring. Moreover, if we assume that the spectral radiance of the diluting light is identical to the spectrum of light measured away from the plume, a measured clean air spectrum can be used to represent the dilution component. A correction can then be implemented by iteratively subtracting fractions of this clean air spectrum from the measured spectrum until the respective absorption signals on strong and weak SO 2 absorption bands are consistent with a single overhead SO 2 abundance. In this manner, we can quantify the magnitude of light dilution in each individual measurement spectrum as well as obtaining a dilution-corrected value for the SO 2 column density along the line of sight of the instrument. This paper first presents the theory behind the method, then discusses validation experiments using a radiative transfer model, as well as applications to field data obtained under different measurement conditions at three different locations; Fagradalsfjall located on the Reykjanaes peninsula in south Island, Manam located off the northeast coast of mainland Papua New Guinea and Holuhraun located in the inland of north east Island.

Frontiers in Earth Science↗

USGS2017

Assessment of thermal maturity trends in Devonian-Mississippian source rocks using Raman spectroscopy: Limitations of peak-fitting method

The thermal maturity of shale is often measured by vitrinite reflectance (VRo). VRo measurements for the Devonian–Mississippian black shale source rocks evaluated herein predicted thermal immaturity in areas where associated reservoir rocks are oil-producing. This limitation of the VRo method led to the current evaluation of Raman spectroscopy as a suitable alternative for developing correlations between thermal maturity and Raman spectra. In this study, Raman spectra of Devonian–Mississippian black shale source rocks were regressed against measured VRo or sample-depth. Attempts were made to develop quantitative correlations of thermal maturity. Using sample-depth as a proxy for thermal maturity is not without limitations as thermal maturity as a function of depth depends on thermal gradient, which can vary through time, subsidence rate, uplift, lack of uplift, and faulting. Correlations between Raman data and vitrinite reflectance or sample-depth were quantified by peak-fitting the spectra. Various peak-fitting procedures were evaluated to determine the effects of the number of peaks and maximum peak widths on correlations between spectral metrics and thermal maturity. Correlations between D-frequency, G-band full width at half maximum (FWHM), and band separation between the G- and D-peaks and thermal maturity provided some degree of linearity throughout most peak-fitting assessments; however, these correlations and those calculated from the G-frequency, D/G FWHM ratio, and D/G peak area ratio also revealed a strong dependence on peak-fitting processes. This dependency on spectral analysis techniques raises questions about the validity of peak-fitting, particularly given the amount of subjective analyst involvement necessary to reconstruct spectra. This research shows how user interpretation and extrapolation affected the comparability of different samples, the accuracy of generated trends, and therefore, the potential of the Raman spectral method to become an industry benchmark as a thermal maturity probe. A Raman method devoid of extensive operator interaction and data manipulation is quintessential for creating a standard method.

Frontiers in Energy Research↗

USGS2021

The Mars Orbiter for Resources, Ices, and Environments (MORIE) science goals and instrument trades in radar, imaging, and spectroscopy

The Mars Orbiter for Resources, Ices, and Environments (MORIE) was selected as one of NASA's 2019 Planetary Mission Concept Studies. The mission builds upon recent discoveries and current knowledge gaps linked to two primary scientific questions: (1) when did elements of the cryosphere form and how are ice deposits linked to current, recent, and ancient climate, and (2) how does the crust record the evolution of surface environments and their transition through time? Addressing these questions has emerged in numerous recent reports as a high priority in investigating the evolution of Mars as a habitable world. A subsidiary goal of the mission concept is to provide information relevant to the eventual human exploration of Mars, specifically helping to locate and quantify near-surface water ice and hydrated mineral resources. The proposed instrument suite includes polarimetric synthetic aperture radar imaging, radar sounding, high-resolution visible and infrared imaging, both short-wave and thermal-infrared spectroscopy, and multichannel wide-angle imaging. MORIE would provide novel measurements of Mars expected to lead to significant new discoveries by the first radar imaging from orbit, radar sounding directly over the poles, and mineral mapping at spatial scales that will unravel geologic sequence stratigraphy through time. The final report of the mission concept provides details on the spacecraft, orbital design, technological maturity, results from systems-level integration studies, and costs. This article is intended to expand upon the science motivation for the mission, the measurement goals and objectives, and the instrument trade space that was examined in detail during the concept study.

The Planetary Science Journal↗

USGS2011

Early in-flight detection of SO 2 via Differential Optical Absorption Spectroscopy: A feasible aviation safety measure to prevent potential encounters with volcanic plumes

Volcanic ash constitutes a risk to aviation, mainly due to its ability to cause jet engines to fail. Other risks include the possibility of abrasion of windshields and potentially serious damage to avionic systems. These hazards have been widely recognized 5 since the early 1980s, when volcanic ash provoked several incidents of engine failure in commercial aircraft. In addition to volcanic ash, volcanic gases also pose a threat. Prolonged and/or cumulative exposure to sulphur dioxide (SO 2 ) or sulphuric acid (H 2 SO 4 ) aerosols potentially affects e.g. windows, air frame and may cause permanent damage to engines. SO 2 receives most attention among the gas species commonly found in 10 volcanic plumes because its presence above the lower troposphere is a clear proxy for a volcanic cloud and indicates that fine ash could also be present. Up to now, remote sensing of SO 2 via Differential Optical Absorption Spectroscopy (DOAS) in the ultraviolet spectral region has been used to measure volcanic clouds from ground based, airborne and satellite platforms. Attention has been given to vol- 15 canic emission strength, chemistry inside volcanic clouds and measurement procedures were adapted accordingly. Here we present a set of experimental and model results, highlighting the feasibility of DOAS to be used as an airborne early detection system of SO 2 in two spatial dimensions. In order to prove our new concept, simultaneous airborne and ground-based measurements of the plume of Popocatepetl volcano, Mexico, were conducted in April 2010. The plume extended at an altitude around 5250 m above sea level and was approached and traversed at the same altitude with several forward looking DOAS systems aboard an airplane. These DOAS systems measured SO 2 in the flight direction and at ±40 mrad (2.3◦) angles relative to it in both, horizontal and vertical directions. The approaches started at up to 25 km distance to 25 the plume and SO 2 was measured at all times well above the detection limit. In combination with radiative transfer studies, this study indicates that an extended volcanic cloud with a concentration of 1012 molecules cm−3 at typical flight levels of 10 km can be detected unambiguously at distances of up to 80 km away. This range provides enough time (approx. 5 min) for pilots to take action to avoid entering a volcanic cloud in the flight path, suggesting that this technique can be used as an effective aid to prevent dangerous aircraft encounters with potentially ash rich volcanic clouds.

Popocatepetl volcano↗

USGS2014

Development of a portable active long-path differential optical absorption spectroscopy system for volcanic gas measurements

Active long-path differential optical absorption spectroscopy (LP-DOAS) has been an effective tool for measuring atmospheric trace gases for several decades. However, instruments were large, heavy and power-inefficient, making their application to remote environments extremely challenging. Recent developments in fibre-coupling telescope technology and the availability of ultraviolet light emitting diodes (UV-LEDS) have now allowed us to design and construct a lightweight, portable, low-power LP-DOAS instrument for use at remote locations and specifically for measuring degassing from active volcanic systems. The LP-DOAS was used to measure sulfur dioxide (SO 2 ) emissions from La Fossa crater, Vulcano, Italy, where column densities of up to 1.2 × 10 18 molec cm −2 (~ 500 ppmm) were detected along open paths of up to 400 m in total length. The instrument's SO 2 detection limit was determined to be 2 × 10 16 molec cm −2 (~ 8 ppmm), thereby making quantitative detection of even trace amounts of SO 2 possible. The instrument is capable of measuring other volcanic volatile species as well. Though the spectral evaluation of the recorded data showed that chlorine monoxide (ClO) and carbon disulfide (CS 2 ) were both below the instrument's detection limits during the experiment, the upper limits for the X / SO 2 ratio (X = ClO, CS 2 ) could be derived, and yielded 2 × 10 −3 and 0.1, respectively. The robust design and versatility of the instrument make it a promising tool for monitoring of volcanic degassing and understanding processes in a range of volcanic systems.

Vulcano↗

USGS2024

In situ lung dust analysis by automated Field Emission Scanning Electron Microscopy with Energy Dispersive X-ray Spectroscopy: A method for assessing inorganic particles in tissue from coal miners

Context.— Overexposure to respirable coal mine dust can cause severe lung disease including progressive massive fibrosis (PMF). Field emission scanning electron microscopy with energy dispersive x-ray spectroscopy (FESEM-EDS) has been used for in situ lung dust particle analysis for evaluation of disease etiology. Automating such work can reduce time, costs, and user bias. Objective.— To develop and test an automated FESEM-EDS method for in situ analysis of inorganic particles in coal miner lung tissue. Design.— We programmed an automated FESEM-EDS procedure to collect particle size and elemental data, using lung tissue from 10 underground coal miners with PMF and 4 control cases. A statistical clustering approach was used to establish classification criteria based on particle chemistry. Data were correlated to PMF/non-PMF areas of the tissue, using corresponding brightfield microscopy images. Results for each miner case were compared with a separate corresponding analysis of particles recovered following tissue digestion. Results.— In situ analysis of miner tissues showed higher particle number densities than controls and densities were generally higher in PMF than non-PMF areas. Particle counts were typically dominated by aluminum silicates with varying percentages of silica. Compared to digestion results for the miner tissues, in situ results indicated lower density of particles (number per tissue volume), larger size, and a lower ratio of silica to total silicates—probably due to frequent particle clustering in situ. Conclusions.— Automated FESEM-EDS analysis of lung dust is feasible in situ and could be applied to a larger set of mineral dust–exposed lung tissues to investigate specific histologic features of PMF and other dust-related occupational diseases.

Archives of Pathology↗