Rapid determination and classification of crude oils by ATR-FTIR spectroscopy and chemometric methods

Mohammadi, Mahsa; Khorrami, Mohammadreza Khanmohammadi; Vatani, Ali; Ghasemzadeh, Hossein; Vatanparast, Hamid; Bahramian, Alireza; Fallah, Afshin

doi:10.1016/j.saa.2020.118157

Cited by 52 publications

(18 citation statements)

References 21 publications

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“…An infrared spectrum represents the amount of energy absorbed by the functional groups present in the sample molecules. Given the large number of functional groups present in hydrocarbons, several studies have identified specific wavelengths where the absorbance intensity allows representing the functional groups and characteristic structures of crude oils. ,, Table shows the wave numbers assignment established in this research. Figure was included in order to define the wavelengths for the samples.…”

Section: Results and Discussionmentioning

confidence: 99%

Effect of the Catalytic Aquathermolysis Process on the Physicochemical Properties of a Colombian Crude Oil

et al. 2021

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In this work, the catalytic aquathermolysis process of a Colombian heavy crude oil was studied. Reactivity tests were conducted in a microbatch reactor at 270 °C and saturation pressure of 5.5 MPa, during 66 h, using iron and molybdenum naphthenates in concentrations of 50−300 ppm as catalysts. The use of these catalysts reduced the gas yield from 1% to 4.2% w/w, the viscosity from 10% to 52.3% with iron naphthenate, and from 11.6% to 31.4% with molybdenum naphthenate. Crudes subjected to catalytic aquathermolysis increased their API gravity from 1.1 to 2.5 and 0.5 to 1.8 units, showing a significant decrease in complex fractions with boiling points above 340 °C and conversions in the order of 7% and 8% with respect to the precursors of molybdenum and iron naphthenates. Unlike other studies, the changes in the physical properties were correlated with changes in the chemical structure by ATR-FTIR spectroscopy. The average molecular parameters showed that the greatest differences with respect to the base crude oil were the length of the alkyl chains, the aromaticity, and the sulfurization. Results indicate different characteristics from the catalysts being studied, with iron naphthenate yielding better favorable effects in the change of the physicochemical properties of the improved crude oils. The experimental methodology proposed in this work indicates that the catalytic aquathermolysis process is a recovery method that allows for improving the properties of the crude oils, under reservoir conditions, due to the formation of products of smaller size and molecular weight.

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Section: Results and Discussionmentioning

confidence: 99%

Effect of the Catalytic Aquathermolysis Process on the Physicochemical Properties of a Colombian Crude Oil

et al. 2021

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“…The FTIR spectrum of the hemp seed oil used is presented in red in Figure 7. It is a typical oil spectrum with a high content of fatty compounds of both edible and fossil oils [36,37]. The high relative intensity of the 1745 cm −1 band (characteristic for C = C bond) suggests a very high content of unsaturated fatty acids.…”

Section: Ftir Studies Of the Emulsion Systemsmentioning

confidence: 99%

Aesculus hippocastanum L. as a Stabilizer in Hemp Seed Oil Nanoemulsions for Potential Biomedical and Food Applications

Jarzębski

Smułek

Siejak

et al. 2021

IJMS

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Nanoemulsion systems receive a significant amount of interest nowadays due to their promising potential in biomedicine and food technology. Using a two-step process, we produced a series of nanoemulsion systems with different concentrations of hemp seed oil (HSO) stabilized with Aesculus hippocastanum L. extract (AHE). Water and commercially-available low-concentrated hyaluronic acid (HA) were used as the liquid phase. Stability tests, including an emulsifying index (EI), and droplet size distribution tests performed by dynamic light scattering (DLS) proved the beneficial impact of AHE on the emulsion’s stability. After 7 days of storage, the EI for the water-based system was found to be around 100%, unlike the HA systems. The highest stability was achieved by an emulsion containing 5% HSO and 2 g/L AHE in water, as well as the HA solution. In order to obtain the detailed characteristics of the emulsions, UV-Vis and FTIR spectra were recorded, and the viscosity of the samples was determined. Finally, a visible microscopic analysis was used for the homogeneity evaluation of the samples, and was compared with the DLS results of the water system emulsion, which showed a desirable stability. The presented results demonstrate the possible use of oil emulsions based on a plant extract rich in saponins, such as AHE. Furthermore, it was found that the anti-inflammatory properties of AHE provide opportunities for the development of new emulsion formulations with health benefits.

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“…Also, in order to increase the calculation accuracy, it is necessary to detect and eliminate outliers. To this end, according to the method provided by Mahsa Mohamadi's paper, the PCA model and Hotelling T 2 statistical plot are used to detect outliers [20].…”

Section: Ftir Measurements Atr-ftir Spectra Were Obtained Using Ermomentioning

confidence: 99%

Rapid Identification and Quantitative Analysis of Polycarboxylate Superplasticizers Using ATR-FTIR Spectroscopy Combined with Chemometric Methods

Zhao³

et al. 2021

Mathematical Problems in Engineering

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Although the quality inspection method of polycarboxylate superplasticizers (PCE) based on macroperformance is still widely used, it has the drawbacks of time-consuming and low precision. This study aims to develop a practicable alternative method for quality inspection of PCE. For this, spectra collection, feature extraction, and cluster analysis were performed up on the PCE samples to demonstrate the feasibility of the method. Also, a new similarity calculation method was introduced in this work. Results show that the solid PCE sample for spectrum collection can be prepared using the simple heating method. High-quality spectra can be rapidly collected by infrared spectrometer combined with ATR accessory. Meanwhile, the accuracy of classification and clustering is high, suggesting that the feature extraction method based on principal component analysis (PCA) is effective. In addition, compared with conventional similarity calculation methods of cosine angle and correlation coefficient, the new similarity calculation method achieves better classification results and better generalization ability. This work provides a method of quantitative analysis and rapid identification of PCE for the construction site.

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Rapid determination and classification of crude oils by ATR-FTIR spectroscopy and chemometric methods

Cited by 52 publications

References 21 publications

Effect of the Catalytic Aquathermolysis Process on the Physicochemical Properties of a Colombian Crude Oil

Effect of the Catalytic Aquathermolysis Process on the Physicochemical Properties of a Colombian Crude Oil

Aesculus hippocastanum L. as a Stabilizer in Hemp Seed Oil Nanoemulsions for Potential Biomedical and Food Applications

Rapid Identification and Quantitative Analysis of Polycarboxylate Superplasticizers Using ATR-FTIR Spectroscopy Combined with Chemometric Methods

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