Quantitative evaluation of vitrinite reflectance and atomic O/C in coal using Raman spectroscopy and multivariate analysis

Lupoi, Jason S.; Fritz, Luke P.; Hackley, Paul C.; Solotky, Logan; Weislogel, Amy L.; Schlaegle, Steve

doi:10.1016/j.fuel.2018.04.172

Cited by 28 publications

(16 citation statements)

References 69 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Raman spectroscopy is attractive due to the nondestructive fast analysis, easy sample preparation, and high selectivity of the laser spot (Henry et al 2019a). Several authors used CM Raman spectra to approach diverse geological problems, for example, coal rank appraisal (Quirico et al 2005; Hinrichs et al 2014; Ulyanova et al 2014), maturation of source rocks (Wilkins et al 2015; Schmidt et al 2017; Lupoi et al 2018), timescale, temperature, and pressure in metamorphic contexts (Beyssac et al 2002; Buseck and Beyssac 2014; Lünsdorf et al 2017).…”

Section: Introductionmentioning

confidence: 99%

“…There is no consensus in the number of functions to be used to fit the raw spectra. Some deconvolute the spectra with multiple functions (Keown et al 2007; Ulyanova et al 2014; Bonoldi et al 2016; Lünsdorf and Lünsdorf 2016), but the advantages of a multifunction fit to adjust only two prominent features in a spectrum are debatable (Quirico et al 2003; Hinrichs et al 2014; Lupoi et al 2017, 2018). Quirico et al (2003) stressed the point that a two function fitting is a strictly empirical approach, as the activation mechanism of the D‐band is not fully understood (Ferrari and Robertson 2000).…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Evaluation of terrestrial carbonaceous matter aromatization by Raman spectroscopy and its application to C chondrites

Schmidt

Hinrichs

2020

Meteorit & Planetary Scien

View full text Add to dashboard Cite

A Raman method to estimate the aromatization degree of carbonaceous matter (CM) was established, and calibrated by literature data respecting differences in acquisition procedures. The generated equations allowed a comparison of the G-band width to vitrinite reflectance, and to additional structural organization parameter extracted from X-ray powder diffraction. The relations between aromatization degree and peak temperatures from literature were then propagated to G-band width parameter. The applicability of these geothermometers is demonstrated by the consistency of data obtained for carbonaceous chondrites with previous estimations. Since the CM aromatization is controlled by peak temperature and time span, it is possible to estimate the duration of chondrite's heating events. The G-band width relation to elemental ratio trends of organic matter in chondrites, interplanetary dust particles, glucose, and saccharose-based semi-coke favors synthesis by formose route. These findings provide new approaches for the future development of chemical kinetic models for organic matter of chondrites. A reliable chemical model may allow the external calibration of numerical models for accurately evaluating the peak temperatures and cooling durations of chondrites.

show abstract

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Evaluation of terrestrial carbonaceous matter aromatization by Raman spectroscopy and its application to C chondrites

Schmidt

Hinrichs

2020

Meteorit & Planetary Scien

View full text Add to dashboard Cite

show abstract

“…Jubb et al [140] pointed out that for low-mature organic matter, Raman spectra show a high degree of heterogeneity, which requires caution when trying to accurately estimate the thermal maturity of organic matter by Raman spectroscopy. In order to avoid the subjectivity of the operator during the Raman spectral curve-fitting process, Lupoi et al, [141,142] Bonoldi et al, [143] and Schito et al [144] combined Raman spectroscopy and chemometric methods to predict the maturity of organic matter. The method is unaffected by the subjectivity of Raman spectral curve-fitting and parameter selection.…”

Section: Study Of Coal Rankmentioning

confidence: 99%

Progress of Raman spectroscopic investigations on the structure and properties of coal

Xia

Wang

et al. 2020

J Raman Spectroscopy

View full text Add to dashboard Cite

Raman spectroscopy is a nondestructive and in situ analytical technique that could provide information on the chemical structure and structural ordering of carbonaceous materials. Based on the E2g symmetric stretching vibration mode in the aromatic layers (G band, ~1,580 cm−1) and the defect structure in graphite (D band, ~1,350 cm−1), Raman spectroscopy has been used extensively to characterize the structural features of carbonaceous matters since 1970. Coal is a complex organic compound made up mainly by carbon showing characteristic Raman bands. This article reviews the application of Raman spectroscopy for coal structure characterization under room temperature, to determine its chemical structure, crystallite size, coal rank, and combustion reactivity. Future research for collecting Raman spectra during coal pyrolysis at high temperatures is also discussed. The combination of high‐temperature hot stage with Raman spectroscopy technology allows direct collection of Raman spectra at high temperature.

show abstract

“…Thermal maturity of core chips was assessed using a Laser Raman spectrometer, a method that is currently being developed (Lupoi et al, 2017;Lupoi et al, 2018 has been done in the past (Rahl et al, 2005;Bonoldi et al, 2016;Lupoi et al, 2017;Lupoi et al, 2018). This is a technique that is currently being developed (Lupoi et al, 2017;Lupoi et al, 2018) and is similar to the ASTM method 7708-14 used for vitrinite reflectance, where the average value of vitrinite reflectance is taken from 20-30 individual measurements at a specific well depth.…”

Section: Laser Raman Spectroscopic Analysismentioning

confidence: 99%

“…Each well depth's ten spectra acquired can be seen in Appendix VI. The ten spectra are averaged to one spectrum, a technique developed in Lupoi et al (2017) and is still currently being developed (Lupoi et al, 2018;Lupoi et al, in review). The results for each well are shown in Figure 11.…”

Section: Thermal Maturity From Laser Raman Spectroscopic Analysismentioning

confidence: 99%

Sediment Provenance Study of the Lower Hamilton Group: An Analysis of the Organic-Rich Facies and its Depositional History

Fritz¹

View full text Add to dashboard Cite

Currently, insufficient geological models exist to explain the variability and distribution of TOC in the Marcellus Shale, within the Hamilton Group. TOC is one of the several limiting factors for natural gas production within the Marcellus Shale basin. One possible explanation for the low TOC regions is that detrital dilution was variable across the basin, with different sediment sources contributing detritus to low TOC areas, compared to surrounding regions with higher TOC. This hypothesis is tested by analyzing the source composition of inorganic detritus, using elemental and mineralogical proxies, with two cores in the Hamilton Group. The Armstrong #1 core is located in Taylor County, West Virginia and the Coldstream Affiliates 1MH (CSA) core is located in Clearfield County, Pennsylvania. Both these wells are located outside of the higher productivity regions with a nearby horizontal Armstrong well totaling 0.45 BCF/1000ft lateral and a nearby horizontal CSA well totaling 0.41 BCF/1000ft lateral. Variation in production may also result from over maturation of the kerogen-hosted pores. To evaluate the influence of thermal history, the thermal maturity of the Marcellus Shale in the lower productivity Armstrong #1 and CSA wells and the higher productivity MSEEL well was assessed using Raman spectroscopy. Major element, trace element, and REE geochemistry indicate the sediment source area was composed of intermediate and felsic granitic and recycled sedimentary lithologies. Samarium-neodymium isotopic analysis reveals a range of DM ages and εNd values. The Armstrong #1 well DM / εNd ranged from 1.64 to 1.91 Ga /-11.93 to-9.56 and the CSA from 1.62 to 1.88 Ga /-12.07 to-11.12. The εNd values became more negative upsection, however the DM did not display a consistent trend relative to depth. Provenance analysis indicates the most likely source of clastic sediment was the Acadian Fold-Thrust Belt to the east with minor inputs from Superior Craton and southern Canadian Grenville Province. Ultimately, results conclude that elevated TOC was associated with only older DM ages and recycled sedimentary signatures. iii TABLE OF CONTENTS

show abstract

Quantitative evaluation of vitrinite reflectance and atomic O/C in coal using Raman spectroscopy and multivariate analysis

Cited by 28 publications

References 69 publications

Evaluation of terrestrial carbonaceous matter aromatization by Raman spectroscopy and its application to C chondrites

Evaluation of terrestrial carbonaceous matter aromatization by Raman spectroscopy and its application to C chondrites

Progress of Raman spectroscopic investigations on the structure and properties of coal

Sediment Provenance Study of the Lower Hamilton Group: An Analysis of the Organic-Rich Facies and its Depositional History

Contact Info

Product

Resources

About