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Results for “Applied Spectroscopy”

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At least 19 recordsLinked to original sources
USGS2006

In situ study of mass transfer in aqueous solutions under high pressures via Raman spectroscopy: A new method for the determination of diffusion coefficients of methane in water near hydrate formation conditions

A new method was developed for in situ study of the diffusive transfer of methane in aqueous solution under high pressures near hydrate formation conditions within an optical capillary cell. Time-dependent Raman spectra of the solution at several different spots along the one-dimensional diffusion path were collected and thus the varying composition profile of the solution was monitored. Diffusion coefficients were estimated by the least squares method based on the variations in methane concentration data in space and time in the cell. The measured diffusion coefficients of methane in water at the liquid (L)-vapor (V) stable region and L-V metastable region are close to previously reported values determined at lower pressure and similar temperature. This in situ monitoring method was demonstrated to be suitable for the study of mass transfer in aqueous solution under high pressure and at various temperature conditions and will be applied to the study of nucleation and dissolution kinetics of methane hydrate in a hydrate-water system where the interaction of methane and water would be more complicated than that presented here for the L-V metastable condition. ?? 2006 Society for Applied Spectroscopy.

Applied Spectroscopy↗
USGS2020

A chemo-mechanical snapshot of in-situ conversion of kerogen to petroleum

Organic matter (OM) from various biogenic origins converts to solid bitumen in-situ when it undergoes thermal maturation. It is well documented that during this process, the ratios of both hydrogen and oxygen to carbon will decrease, resulting in an increase in OM aromaticity and molecular chemo-mechanical homogeneity. Although there have been extensive efforts to reveal molecular alteration occurring to OM during conversion, in-situ and continuous observation of such alterations on naturally occurring samples is missing. Therefore, evaluation of previous results cannot be made independent from natural sample variability. In this study, we identified OM particles ( Tasmanites ) that are evolving in-situ into solid bitumen in the Bakken Formation. This in-situ bituminization allows examination of a continuous transformation in OM molecular structure at micron-scale using AFM based IR spectroscopy applied at the transition/interface zone. Moreover, contact mode in the AFM was employed to reveal and relate changes in mechanical properties at a similar scale of measurement. Understanding these chemical and mechanical alterations is important to understand shale reservoir properties and better explain hydrocarbon generation, expulsion, and migration processes at the microscale.

Geochimica et Cosmochimica Acta↗
USGS2015

Advanced Land Observing Satellite (ALOS) Phased Array Type L-Band Synthetic Aperture Radar (PALSAR) mosaic for the Kahiltna terrane, Alaska, 2007-2010

The U.S. Geological Survey (USGS) has initiated a multi-disciplinary study investigating the applicability of remote sensing technologies for geologic mapping and identification of prospective areas for base and precious metal deposits in remote parts of Alaska. The Kahiltna terrane in southwestern Alaska was selected for investigation because of its known mineral deposits and potential for additional mineral resources. An assortment of technologies is being investigated to aid in remote analysis of terrain, and includes imaging spectroscopy (hyperspectral remote sensing), high spatial resolution electro-optical imagery, and Synthetic Aperture Radar (SAR). However, there are significant challenges to applying imaging spectroscopy and electro-optical imagery technologies in this area because of the low solar angle for parts of the year, seasonal periods of darkness and snow cover, and the frequently cloudy weather that characterizes Alaska. Synthetic Aperture Radar (SAR) was selected because this technology does not rely on solar illumination and has all-weather capability. The USGS has compiled a continuous, cloud-free 12.5-meter resolution radar mosaic of SAR data of approximately 212,000 square kilometers to examine the suitability of this technology for geologic mapping. This mosaic was created from Advanced Land Observing Satellite (ALOS) Phased Array type L-band Synthetic Aperture Radar (PALSAR) data collected from 2007 to 2010 spanning the Kahiltna terrane and the surrounding area. Interpretation of these data may help geologists understand past geologic processes and identify areas with potential for near-surface mineral resources for further ground-based geological and geochemical investigations.

Alaska↗
USGS2026

Stacked machine learning for timber identification with laser-induced breakdown spectroscopy (LIBS)

This study presents a new approach to wood species identification using laser-induced breakdown spectroscopy (LIBS) combined with stacked machine learning techniques. The research analyzed 700 samples comprising nine Dalbergia species and nine additional tropical timber species, utilizing a handheld LIBS analyzer. A stacking methodology was developed by integrating three support vector machine (SVM) models with different kernel functions (linear, polynomial, and radial) in a one-versus-all (OVA) configuration. These SVM outputs were then combined using a partial least squares discriminant analysis (PLS-DA) meta-learner. Through PCA-based variable selection, the dimensionality was reduced from 23 401 to wavelengths while maintaining classification accuracy. The stacking approach achieved a Cohen's kappa value of 0.8671 in the validation set, significantly outperforming traditional flat classifiers. Variable importance analysis revealed calcium, magnesium, and barium as crucial elements for species differentiation, with their concentrations reflecting environmental conditions and geographical origins. This research demonstrates the potential of combining LIBS spectroscopy with advanced machine learning techniques for rapid, non-invasive timber identification, which can support efforts against illegal logging and enforcement of international trade regulations.

Applied Spectroscopy↗
USGS2005

X-ray scattering and spectroscopy studies on diesel soot from oxygenated fuel under various engine load conditions

Diesel soot from reference diesel fuel and oxygenated fuel under idle and load engine conditions was investigated with X-ray scattering and X-ray carbon K-edge absorption spectroscopy. Up to five characteristic size ranges were found. Idle soot was generally found to have larger primary particles and aggregates but smaller crystallites, than load soot. Load soot has a higher degree of crystallinity than idle soot. Adding oxygenates to diesel fuel enhanced differences in the characteristics of diesel soot, or even reversed them. Aromaticity of idle soot from oxygenated diesel fuel was significantly larger than from the corresponding load soot. Carbon near-edge X-ray absorption fine structure (NEXAFS) spectroscopy was applied to gather information about the presence of relative amounts of carbon double bonds (CC, CO) and carbon single bonds (C-H, C-OH, COOH). Using scanning X-ray transmission microspectroscopy (STXM), the relative amounts of these carbon bond states were shown to vary spatially over distances approximately 50 to 100 nm. The results from the X-ray techniques are supported by thermo-gravimetry analysis and high-resolution transmission electron microscopy. ?? 2005 Elsevier Ltd. All rights reserved.

Carbon↗
USGS2025

Determination of provenance soil type using inductively coupled plasma mass spectrometry (ICP-MS) analyses of Pinus ponderosa ash

This study demonstrates the feasibility of determining soil provenance from tree ash composition using elemental analysis and chemometric techniques. To date, no published studies have applied chemometric approaches to classify ash for provenance determination following forest fires. In this work, Pinus ponderosa ash was analyzed to distinguish samples based on soil type and geographic location. Pinus ponderosa , a widely distributed pine species in the western United States where wildfires are prevalent, was selected as a model system. Needles were collected from trees grown in five distinct soil types across northern Arizona and Colorado, then dry-ashed under controlled conditions. Classification was performed using three preprocessing techniques and five machine learning algorithms, including hierarchical modeling structures to optimize separation. Partial least squares discriminant analysis (PLS-DA) following a Box-Cox transformation yielded the highest classification accuracy, achieving a prediction kappa value of 0.98 for soil type identification. However, classification performance decreased when distinguishing both soil type and geographic location, indicating that additional variability may influence predictive accuracy in broader applications. These findings highlight the potential of inductively coupled plasma mass spectrometry (ICP-MS) and machine learning for post-wildfire forensic analysis and environmental monitoring.

Applied Spectroscopy↗
USGS1982

Analysis of barium and strontium in sediments by dc plasma emission spectrometry

The dc plasma arc is suited to analysis of barium and strontium in a wide range of sedimentary rock matrices, from sands, shales, and carbonates, to ferromanganese nodules. Samples containing 10 ppm to more than 3000 ppm barium and strontium were studied. Both alkali (3500 ppm lithium borate, from a preliminary fusion) and lanthanum salts (1%) in the final solution are needed to achieve freedom from systematic effects due to extreme variation in matrix. In the absence of La, neither Li, Na, K, nor Cs totally eliminated effects of Al and other constituents on emission. Silica addition to the fusion helps achieve proper flux viscosity to aid removal of fused beads from graphite crucibles. The effect of refractory-substance formers such as aluminum with calcium can be reduced or removed by selection of a portion of the arc for emission measurement. However, it was decided not to pursue this approach because of loss in analytical sensitivity and need for greater precision in optical adjustment. Analysis of standard rock samples showed generally satisfactory agreement with precision methods of analysis, and some new standard rock data are reported.

Applied Spectroscopy↗
USGS1985

Statistical evaluation of an inductively coupled plasma atomic emission spectrometric method for routine water quality testing

In an interlaboratory test, inductively coupled plasma atomic emission spectrometry (ICP-AES) was compared with flame atomic absorption spectrometry and molecular absorption spectrophotometry for the determination of 17 major and trace elements in 100 filtered natural water samples. No unacceptable biases were detected. The analysis precision of ICP-AES was found to be equal to or better than alternative methods. Known-addition recovery experiments demonstrated that the ICP-AES determinations are accurate to between plus or minus 2 and plus or minus 10 percent; four-fifths of the tests yielded average recoveries of 95-105 percent, with an average relative standard deviation of about 5 percent.

Applied Spectroscopy↗
USGS1986

System optimization for the automatic simultaneous determination of arsenic, selenium, and antimony, using hydride generation introduction to an inductively coupled plasma

A fixed-size simplex has been used to determine the optimum conditions for the simultaneous determination of arsenic, selenium, and antimony by hydride generation and inductively coupled plasma emission spectrometry. The variables selected for the simplex were carrier gas flow rate, rf power, viewing height, and reagent conditions. The detection limit for selenium was comparable to the preoptimized case, but there were twofold and fourfold improvements in the detection limits for arsenic and antimony, respectively. Precision of the technique was assessed with the use of artificially prepared water samples.

Applied Spectroscopy↗
USGS1988

An exploration geochemical technique for the determination of preconcentrated organometallic halides by ICP-AES

An atomic absorption extraction technique which is widely used in geochemical exploration for the determination of Ag, As, Au, Bi, Cd, Cu, Mo, Pb, Sb, and Zn has been modified and adapted to a simultaneous inductively coupled plasma-atomic emission instrument. The experimental and operating parameters are described for the preconcentration of the metals into their organometallic halides and for the determination of these metals. Lower limits of determination are equal to or improved over those for flame atomic absorption (except Au), and ICP results are very similar to the accepted AA values, with precision for the ICP data in excess of that necessary for exploration purposes.

Applied Spectroscopy↗
USGS1991

Flame ionization mass spectrometry--Isotope ratio determinations for potassium

The air/acetylene flame provides a convenient ion source for the determination of potassium isotopic ratios by mass spectrometry. Unlike the argon inductively coupled plasma (ICP), the flame provides low background in the mass region of interest. Ion production is quite satisfactory for isotope ratio measurements at the micrograms per milliliter (μg/mL) level and slightly below, with 1 μg/mL potassium giving about 10<sup>5</sup>counts/second at a nominal mass-to-charge ratio of 39. The detection limit for potassium was 2-3 nanograms per milliliter (ng/mL). The ratio of <sup>41</sup>K/<sup>39</sup>K was measured with 0.5-1% relative standard deviation, and a <sup>41</sup>K spike representing 0.2% of the total potassium was readily detected. Both signal levels and signal stability were improved by adding a second easily ionized element such as cesium to samples and standards. Alternatively, a cesium solution could be aspirated for about 1 minute between sample measurements to ensure signal stability.

Applied Spectroscopy↗
USGS2022

Characterization of bituminite in Kimmeridge Clay by confocal laser scanning and atomic force microscopy

This work investigates bituminite (amorphous sedimentary organic matter) in Upper Jurassic Kimmeridge Clay source rock via confocal laser scanning microscopy (CLSM) and atomic force microscopy (AFM). These petrographic tools were used to provide better understanding of the nature of bituminite, which has been historically difficult to identify and differentiate from similar organic matter types in source rocks. As part of an International Committee for Coal and Organic Petrology (ICCP) working group, an immature (0.42% vitrinite reflectance), organic-rich (44.1 wt% total organic carbon content) sample of Kimmeridge Clay was distributed to multiple laboratories for CLSM characterization. The primary observations from CLSM imaging and spectroscopy include: 1) the interpreted presence of Botryococcus algae as a contributor to bituminite precursors; 2) color red-shift of sulfide reflectance and bituminite auto-fluorescence from below the sample surface; 3) positive alteration of bituminite from laser-induced photo-oxidation of the sample surface, including fluorescence blue-shift; 4) fluorescence blue-shift associated to higher fluorescence intensity regions in bituminite indicative of compositional (fluorophore) differences; 5) the need for fluorescence spectroscopy standardization as applied via CLSM; and 6) the suitability of CLSM fluorescence spectroscopy to predict solid bitumen reflectance from bituminite spectral emission via calibration to an extant dataset. Secondary CLSM observations include detection of reflected laser light from highly reflective inclusions in bituminite, including sulfides and fusinite, and radiolytic alteration of bituminite caused by substitution of U for Fe in sulfides. Findings from AFM include the observation that surface roughening or surface flattening of bituminite are induced by differential broad ion beam (BIB) milling and are dependent on the location and scale of AFM topology measurement. This result highlights our still limited understanding of the effects of BIB milling on sedimentary organic matter and indicates the need for further research before this technique can be advanced as a standard practice in petrographic sample preparation. Collectively, the results of this study illustrate the general applicability and versatility of AFM and CLSM as tools for organic petrology research, specifically for better understanding of the nature and properties of the bituminite maceral.

Kimmeridge↗
USGS2018

Application of Raman spectroscopy as thermal maturity probe in shale petroleum systems: Insights from natural and artificial maturation series

Raman spectroscopy was studied as a thermal maturity probe in a series of Upper Devonian Ohio Shale samples from the Appalachian Basin spanning from immature to dry gas conditions. Raman spectroscopy also was applied to samples spanning a similar thermal range created from 72-h hydrous pyrolysis (HP) experiments of the Ohio Shale at temperatures from 300 to 360 °C and isothermal HP experiments lasting up to 100 days of similar Devonian–Mississippian New Albany Shale. Raman spectra were treated by automated evaluation software based on iterative and simultaneous modeling of signal and baseline functions to decrease subjectivity. Spectra show robust correlation to measured solid bitumen reflectance (BR o ) values and were therefore used to construct logarithmic regression relationships for calculation of BR o equivalent values. Raman spectra show considerable differences between natural samples and HP residues with similar measured BR o values, indicating as-yet undetermined differences in carbon chemistry. We speculate this result may be due to differences in the sampling interactions of Raman vs reflectance measurements, and the incomplete nature of maturation reactions in the time-limited hydrous pyrolysis residues. Samples used in this study are similar in organic assemblage (dominantly solid bitumen) to other commonly exploited North American shale petroleum systems, i.e., Bakken, Barnett, Duvernay, Fayetteville, and Woodford shales. Therefore, results presented herein may be broadly applicable to other important shale plays. However, caution is suggested and Raman spectroscopy as a thermal probe may need individual calibration in each shale play due to differences in solid bitumen carbon chemistry.

Energy & Fuels↗
USGS2020

Quantifying gas emissions associated with the 2018 rift eruption of Kīlauea Volcano using ground-based DOAS measurements

Starting on 3 May 2018, a series of eruptive fissures opened in Kīlauea Volcano’s lower East Rift Zone (LERZ). Over the course of the next 3 months, intense degassing accompanied lava effusion from these fissures. Here, we report on ground-based observations of the gas emissions associated with Kīlauea’s 2018 eruption. Visual observations combined with radiative transfer modeling show that ultraviolet light could not efficiently penetrate the gas and aerosol plume in the LERZ, complicating SO 2 measurements by differential optical absorption spectroscopy (DOAS). By applying a statistical method that integrates a radiative transfer model with the DOAS retrievals, we were able to calculate sulfur dioxide (SO 2 ) emission rates along with estimates of their uncertainty. We find that sustained SO 2 emissions were highest in June and early July, when approximately 200 kt SO 2 were emitted daily. At the 68% confidence interval, we estimate that 7.1–13.6 Mt SO 2 were released from the LERZ during the entire May to September eruptive episode. Scaling our results with in situ measurements of plume composition, we calculate that 11–21 Mt H 2 O and 1.5–2.8 Mt CO 2 were also emitted. The gas and aerosol emissions caused hazardous conditions in areas proximal to the active vents, but plume dispersion modeling shows that the eruption also significantly impacted air quality hundreds of kilometers downwind. Combined with petrologic studies of the erupted lavas, our measurements indicate that 1.1–2.3 km 3 dense-rock equivalent of lava were erupted from the LERZ, which is approximately twice the concomitant collapse volume of the volcano’s summit.

Hawaii↗
USGS2021

The Confocal Laser Scanning Microscopy Working Group of the ICCP: Final report 2021

This report summarizes the activities and results of the Confocal Laser Scanning Microscopy (CLSM) working group (WG) of the International Committee for Coal and Organic Petrology (ICCP), from its inception in September, 2015, to the present day (September, 2021). The purpose of this report is to document the history of the working group and to compile and evaluate its results. The CLSM WG examined an immature, organic-rich sample of Kimmeridge Clay, which was characterized via CLSM imaging and spectroscopy. In addition, mechanically polished and broad ion beam (BIB) milled sample preparations were characterized via atomic force microscopy. Highlights of findings from the CLSM WG include: the interpreted presence of Botryococcus; incomplete blocking of laser light from highly reflective materials; surface roughening and surface flattening induced by differential BIB milling dependent on location and scale of measurement; substitution of uranium for iron in sulfides; red-shift of reflectance and auto-fluorescence from below the sample surface; positive alteration from laser-induced photo-oxidation of the sample surface including fluorescence blue-shift; blueshift associated to higher fluorescence intensity regions in amorphous organic matter; need for fluorescence spectroscopy standardization as applied via CLSM; and the suitability of CLSM to predict solid bitumen reflectance via calibration to an extant data set. Due to the inability of WG members to continue participating in a WG format, the CLSM WG is hereby finalized. This report represents the final product of WG activity, with the aim to summarize the information included herein for a future peer-reviewed manuscript.

Final Report↗
USGS2004

Identification of spectrally similar materials using the USGS Tetracorder algorithm: The calcite-epidote-chlorite problem

A scheme to discriminate and identify materials having overlapping spectral absorption features has been developed and tested based on the U.S. Geological Survey (USGS) Tetracorder system. The scheme has been applied to remotely sensed imaging spectroscopy data acquired by the Airborne Visible and Infrared Imaging Spectrometer (AVIRIS) instrument. This approach was used to identify the minerals calcite, epidote, and chlorite in the upper Animas River watershed, Colorado. The study was motivated by the need to characterize the distribution of calcite in the watershed and assess its acid-neutralizing potential with regard to acidic mine drainage. Identification of these three minerals is difficult because their diagnostic spectral features are all centered at 2.3 ??m, and have similar shapes and widths. Previous studies overestimated calcite abundance as a result of these spectral overlaps. The use of a reference library containing synthetic mixtures of the three minerals in varying proportions was found to simplify the task of identifying these minerals when used in conjunction with a rule-based expert system. Some inaccuracies in the mineral distribution maps remain, however, due to the influence of a fourth spectral component, sericite, which exhibits spectral absorption features at 2.2 and 2.4 ??m that overlap the 2.3-??m absorption features of the other three minerals. Whereas the endmember minerals calcite, epidote, chlorite, and sericite can be identified by the method presented here, discrepancies occur in areas where all four occur together as intimate mixtures. It is expected that future work will be able to reduce these discrepancies by including reference mixtures containing sericite. ?? 2004 Elsevier Inc. All rights reserved.

Remote Sensing of Environment↗
USGS2017

Solid-phase arsenic speciation in aquifer sediments: A micro-X-ray absorption spectroscopy approach for quantifying trace-level speciation

e of this research is to identify the solid-phase sources and geochemical mechanisms of release of As in aquifers of the Des Moines Lobe glacial advance. The overarching concept is that conditions present at the aquifer-aquitard interfaces promote a suite of geochemical reactions leading to mineral alteration and release of As to groundwater. A microprobe X-ray absorption spectroscopy (lXAS) approach is developed and applied to rotosonic drill core samples to identify the solid-phase speciation of As in aquifer, aquitard, and aquifer-aquitard interface sediments. This approach addresses the low solid-phase As concentrations, as well as the fine-scale physical and chemical heterogeneity of the sediments. The spectroscopy data are analyzed using novel cosine-distance and correlation-distance hierarchical clustering for Fe 1s and As 1s lXAS datasets. The solid-phase Fe and As speciation is then interpreted using sediment and well-water chemical data to propose solid-phase As reservoirs and release mechanisms. The results confirm that in two of the three locations studied, the glacial sediment forming the aquitard is the source of As to the aquifer sediments. The results are consistent with three different As release mechanisms: (1) desorption from Fe (oxyhydr)oxides, (2) reductive dissolution of Fe (oxyhydr)oxides, and (3) oxidative dissolution of Fe sulfides. The findings confirm that glacial sediments at the interface between aquifer and aquitard are geochemically active zones for As. The diversity of As release mechanisms is consistent with the geographic heterogeneity observed in the distribution of elevated-As wells.

Geochimica et Cosmochimica Acta↗