Identification of petroleum profiles by infrared spectroscopy and chemometrics

Lovatti, Betina P.O.; Silva, Samantha R.C.; Portela, Natália de A.; Sad, Cristina M. S.; Rainha, Karla Pereira; Rocha, Julia T.C.; Romão, Wanderson; Castro, Eustáquio Vinícius Ribeiro de; Filgueiras, Paulo R.

doi:10.1016/j.fuel.2019.115670

Cited by 15 publications

(7 citation statements)

References 31 publications

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“…These impurities may not only adversely affect the subsequent processing steps but may also impair the quality of white sugar. Since the literature data show IR spectroscopy as one of the quickest methods for oil identification [ 52 , 53 , 54 , 55 , 56 ], this technique was also applied in this particular case. A sample of oil contamination (Sample B) was collected from the water’s surface and placed on a measuring window of IR sample cards (Real Crystal ® ) as described in Section 3.3 .…”

Section: Resultsmentioning

confidence: 99%

Fourier Transform Mid-Infrared Spectroscopy (FT-MIR) as a Method of Identifying Contaminants in Sugar Beet Production Process—Case Studies

Gruska,

Kunicka-Styczyńska,

Jaśkiewicz

et al. 2023

Molecules

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Food safety has received considerable attention in recent years. Methods for rapid identification of a variety contaminants in both the final product and the manufacturing process are constantly developing. This study used Fourier Transform Mid-Infrared Spectroscopy (FT-MIR) spectroscopy to identify various contaminants endangering white sugar production. It was demonstrated that inorganic compounds (calcium carbonate—CaCO3), plastic contaminants (polypropylene), and oily contaminants (compressor sealing and lubrication lubricant) can be identified with a high degree of precision. FT-MIR spectroscopy was proved to be a useful technique for detecting sugar contaminants rapidly and precisely even without the application of a sophisticated spectra analysis. Commercial databases of reference spectra usage significantly simplify and facilitate the application of this method.

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Section: Resultsmentioning

confidence: 99%

Fourier Transform Mid-Infrared Spectroscopy (FT-MIR) as a Method of Identifying Contaminants in Sugar Beet Production Process—Case Studies

Gruska,

Kunicka-Styczyńska,

Jaśkiewicz

et al. 2023

Molecules

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“…It is a systematized way to transform high-dimensional features into principal components (PCs) (new features) and group similar data sets. Thereby, PCA is suitable to find unlabeled clustering and recognize the patterns of groups. − …”

Section: Statistical Methods Developmentmentioning

confidence: 99%

Spectroscopic Fingerprinting of Organic Material Extracted from Tight Chalk Core Samples of the North Sea

Mihrin

Sanchez

et al. 2020

ACS Omega

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The detailed chemical composition of crude oil in subsurface reservoirs provides important information about reservoir connectivity and can potentially play a very important role for the understanding of recovery processes. Relying on studying produced oil samples alone to understand the rock-fluid and fluid–fluid interactions is insufficient as the heavier polar components may be retained by tight reservoirs and not produced. These heavy and polar compounds that constitute the resin and asphaltene fractions of crude oil are typically present in low concentrations and yet are determining for the physical–chemical properties of the oil because of their polarity. In order to obtain a fingerprint analysis of oils including polar compounds from different wells, the oil content of drill cores has been extracted and analyzed. Infrared spectroscopy has been used to perform chemical fingerprinting of the oil extracted from drill cores sampled in different geographical locations of the Danish North Sea. Statistical analysis has been employed to identify the chemical differences within the sample set and explore the link between chemical composition and geographic location of the sample. A principal component analysis, based on spectral peak fitting in the 1800–1400 cm–1 range, has allowed for statistical grouping of the samples and identified the primary chemical feature characteristic of these groups. Statistically significant differences in the quantities of polar oxygen- and nitrogen-containing compounds were found between the oil wells. The results of this analysis have been used as guidelines and reference to establish an express statistical approach based on the full-range infrared spectra for a further expansion of the sample set. The chemical information presented in this work is discussed in relation to oil fingerprinting and geochemical analysis.

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“…Due to the advantages of simple operation, minimal sample preparation, rapid detection, non-destructive (microdestructive), potential for automation, and portability, there has been a growing rush in research over the last two decades to replace traditional methods with spectroscopic techniques. 15,16 Currently, spectroscopic techniques are widely employed in a variety of industries, including forensics, 17,18 biomedicine, 19,20 materials, 21 chemical and petrochemical production, 22 environmental monitoring, 23 food safety, 15 etc.…”

Section: Introductionmentioning

confidence: 99%

Ante- and Post-Mortem Fracture Identification Protocol Based on Low- and High-Level Fusion Using Fourier Transform Infrared Spectroscopy and Raman Spectroscopy Association

Yu,

Wu,

Xiong

et al. 2024

Appl Spectrosc

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In this study, the application of low-level fusion (LLF) and high-level fusion (HLF) strategies using a combination of Fourier transform infrared spectroscopy (FT-IR) and Raman spectroscopy in the identification of antemortem and postmortem fracture at different postmortem intervals (PMIs) was investigated. On a technical level, the same hard tissue sample can be detected using a mix of FT-IR and Raman techniques. At the method level, two cutting-edge chemometrics approaches (LLF and HLF) combining FT-IR and Raman spectroscopic data are explored. The models were ranked in accordance with their parametric quality as follows: HLF and LLF + HLF models > LLF single model > Raman single model > FT-IR single model. The LLF model performed marginally better than the Raman model, however, when compared to other models, the HLF model performed considerably better. The HLF model achieved the best performance, with both cross-validation accuracy and test data set accuracy of 0.88. The importance of the feature wavelengths in the model construction process was subsequently evaluated by intersection fusion, and it was found that the absorbance bands of amide I, PO43– ν1 ν3, and CH2 in FT-IR and phenylalanine, CO32– ν1– PO43– ν3, and amide III in Raman have outstanding contributions to the construction of antemortem and postmortem fractures identification models. Overall, the combination of FT-IR and Raman with the HLF strategy is a novel and promising approach for developing antemortem and postmortem fracture identification models at different PMIs.

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Identification of petroleum profiles by infrared spectroscopy and chemometrics

Cited by 15 publications

References 31 publications

Fourier Transform Mid-Infrared Spectroscopy (FT-MIR) as a Method of Identifying Contaminants in Sugar Beet Production Process—Case Studies

Fourier Transform Mid-Infrared Spectroscopy (FT-MIR) as a Method of Identifying Contaminants in Sugar Beet Production Process—Case Studies

Spectroscopic Fingerprinting of Organic Material Extracted from Tight Chalk Core Samples of the North Sea

Ante- and Post-Mortem Fracture Identification Protocol Based on Low- and High-Level Fusion Using Fourier Transform Infrared Spectroscopy and Raman Spectroscopy Association

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