Low-field NMR: A new alternative to determine the aromatic content of petroleum distillates

Montes, Luciana F.; Oliveira, Emanuele C.S.; Neto, Álvaro Cunha; Menezes, Sônia Maria Cabral de; Castro, Eustáquio R.V.; Barbosa, Lúcio L.

doi:10.1016/j.fuel.2018.11.024

Cited by 16 publications

(14 citation statements)

References 12 publications

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“…Different standard methods and instruments are used to determine these properties of liquid fuels . Standard methods are often time-consuming and laborious and have complex analytical procedures; additionally, these methods may need toxic and hazardous solvents, destroy the sample, and generate high costs. − Because of the undeniable advantages of TD-NMR, specifically its rapidity, nondestructiveness, and noninvasiveness and the robust correlations of the NMR parameters with physical parameters, this technique is proposed as an alternative to standard analytical methods. − …”

Section: Reviewmentioning

confidence: 99%

Time-Domain NMR in Characterization of Liquid Fuels: A Mini-Review

Nikolskaya

Hiltunen

2020

Energy Fuels

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Low-field nuclear magnetic resonance (LF-NMR) is a highly promising method for characterizing the different physical parameters and chemical structures of liquid fuels. In particular, there have been a variety of essential applications by means of time-domain NMR (TD-NMR). These applications can be developed for the characterization of petroleum fuels and biofuels, reaction monitoring, or process and quality control of liquid fuels. However, only a few applications have demonstrated the use of TD-NMR via on-line measurements. The principle of the majority of reviewed TD-NMR applications is based on finding the correlation between NMR and physical parameters. Special attention in this mini-review is paid to the description of on-line TD-NMR applications. ■ REVIEWAn overview of the LF-NMR analyses of crude oils, lubricant oils, diesel/biodiesel fuels, and edible oils has recently been published by Rudszuck et al., 21 in which both TD-NMR and NMR spectroscopy were taken into account. In that review, papers were categorized on the basis of their processing stage,

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Section: Reviewmentioning

confidence: 99%

Time-Domain NMR in Characterization of Liquid Fuels: A Mini-Review

Nikolskaya

Hiltunen

2020

Energy Fuels

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“…To clarify the microstructure characteristics of resin, there has been some research on the resin molecular structure. For example, Bava studied the different types of sulfur functional groups in resin by X-ray absorption near-edge structure, while Klein researched the distribution of heteroatom compounds in resin by Fourier transform ion cyclotron resonance mass spectrometry. − Both resin and asphaltene are macromolecular components found in petroleum. Nuclear magnetic resonance (NMR) is an important analysis method to study the composition of petroleum, and many researchers have investigated the interaction between resin and asphaltene. − Mousavi and Wang simulated the interactions between four crude oil components based on density functional theory (DFT). , …”

Section: Introductionmentioning

confidence: 99%

Molecular Simulation of Resin and the Calculation of Molecular Bond Energy

2021

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In this study, average structural characteristics of amber were researched and used as an example to establish the three-dimensional (3D) average structure of resin. Two coal samples containing solid amber were collected from Fushun and Hunchun in Northeast China, from which pure amber samples were separated and resin was extracted. Solid-state nuclear magnetic resonance ( 13 C NMR) spectroscopy was used to obtain structural information of amber, and matrix-assisted laser desorption ionization time-of-flight mass spectrometry was performed on the resins to determine their molecular mass. The results of these studies revealed that the average structure of amber was dominated by cycloalkane, with a small amount of aromatic carbon, and there were almost no aliphatic chains in the structure. The molecular masses of the compounds in the resin were mainly in the range 99−750 Da, and the average molecular mass was ∼370 Da. To characterize the resin chemical structure, two 3D molecular models based on density functional theory were established taking amber as the example, and the relevant molecular bond energies were calculated. Based on these models, the interactions among the components in oil were studied, and the binding energies of the different molecules were calculated. In summary, in this study, amber was used as a medium to establish an accurate molecular model of resin and proved that compared to hydrocarbon compounds, resin molecules were more likely to interact with bitumen.

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“…However, measurements with conventional techniques take time, usually requiring tedious and expensive experimental processes, where accuracy decreases as oil viscosity increases, as equipment designs and protocols are focused on light and medium oils [5] [4] . Furthermore, human error in these measurements occurs more frequently and reflects a low reliability level in the characterization of oil, leading to failures in equipment designs for facilities, numerical simulations, and evaluation of reservoirs [6].…”

Section: Introductionmentioning

confidence: 99%

“…Low field NMR is proposed to overcome these difficulties. It is a novel technique that allows for indirect estimation of multiple properties of fluids, such as viscosity and density [7][8] [9][10] [11], API gravity [12], molecular weight [4], aromatic content [6], total acid number and sulphur content [13], through mathematical models developed.…”

Section: Introductionmentioning

confidence: 99%

Low field NMR as an alternative technique to estimate of density and viscosity in toluene-heavy oil mixtures

et al. 2021

CT&F Cienc. Tecnol. Futuro

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The success of low field Nuclear Magnetic Resonance (LF-NMR) to estimate heavy oil properties depends on a good selection of mathematical models and fitting parameters. Since the correlations proposed are not universally applicable, in this study, a NMR published model was chosen and tuned to determine the density and viscosity of several mixtures of a Colombian heavy oil with toluene. The process began by mixing toluene with heavy oil to obtain several measuring points with properties similar to those of heavy oils. Each mixture was taken to a 7.5 MHz spectrometer at 40°C, where NMR parameters were acquired and used in the five pre-selected mathematical models. The reliability of viscosity measurements was analysed with the root mean square error (RMSE) and maximum absolute error (MAE). After the NLS regression process, the most accurate prediction was reached through the Burcaw model, with RMSE values of 40.55 cP. On the other hand, the density was estimated with the Wen correlation with results showing a relative error percentage of less than 1%. According to such error values, the tuned models are considered a starting point to extend the NRM technique use to other Colombian heavy oils with low uncertainty levels.

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Low-field NMR: A new alternative to determine the aromatic content of petroleum distillates

Cited by 16 publications

References 12 publications

Time-Domain NMR in Characterization of Liquid Fuels: A Mini-Review

Time-Domain NMR in Characterization of Liquid Fuels: A Mini-Review

Molecular Simulation of Resin and the Calculation of Molecular Bond Energy

Low field NMR as an alternative technique to estimate of density and viscosity in toluene-heavy oil mixtures

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