Estimating the asphaltene critical nanoaggregation concentration region using ultrasonic measurements and Bayesian inference

Abstract Bayesian inference and ultrasonic velocity have been used to estimate the self-association concentration of the asphaltenes in toluene using a changepoint regression model. The estimated values agree with the literature information and indicate that a lower abundance of the longer side-chai...

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Autores principales: Aleksandra Svalova, David Walshaw, Clement Lee, Vasily Demyanov, Nicholas G. Parker, Megan J. Povey, Geoffrey D. Abbott
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Lenguaje:EN
Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/68fa3d635db449389bfb4d1c12c7a1a0
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spelling oai:doaj.org-article:68fa3d635db449389bfb4d1c12c7a1a02021-12-02T17:04:34ZEstimating the asphaltene critical nanoaggregation concentration region using ultrasonic measurements and Bayesian inference10.1038/s41598-021-85926-82045-2322https://doaj.org/article/68fa3d635db449389bfb4d1c12c7a1a02021-03-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-85926-8https://doaj.org/toc/2045-2322Abstract Bayesian inference and ultrasonic velocity have been used to estimate the self-association concentration of the asphaltenes in toluene using a changepoint regression model. The estimated values agree with the literature information and indicate that a lower abundance of the longer side-chains can cause an earlier onset of asphaltene self-association. Asphaltenes constitute the heaviest and most complicated fraction of crude petroleum and include a surface-active sub-fraction. When present above a critical concentration in pure solvent, asphaltene “monomers” self-associate and form nanoaggregates. Asphaltene nanoaggregates are thought to play a significant role during the remediation of petroleum spills and seeps. When mixed with water, petroleum becomes expensive to remove from the water column by conventional methods. The main reason of this difficulty is the presence of highly surface-active asphaltenes in petroleum. The nanoaggregates are thought to surround the water droplets, making the water-in-oil emulsions extremely stable. Due to their molecular complexity, modelling the self-association of the asphaltenes can be a very computationally-intensive task and has mostly been approached by molecular dynamic simulations. Our approach allows the use of literature and experimental data to estimate the nanoaggregation and its credible intervals. It has a low computational cost and can also be used for other analytical/experimental methods probing a changepoint in the molecular association behaviour.Aleksandra SvalovaDavid WalshawClement LeeVasily DemyanovNicholas G. ParkerMegan J. PoveyGeoffrey D. AbbottNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-11 (2021)
institution DOAJ
collection DOAJ
language EN
topic Medicine
R
Science
Q
spellingShingle Medicine
R
Science
Q
Aleksandra Svalova
David Walshaw
Clement Lee
Vasily Demyanov
Nicholas G. Parker
Megan J. Povey
Geoffrey D. Abbott
Estimating the asphaltene critical nanoaggregation concentration region using ultrasonic measurements and Bayesian inference
description Abstract Bayesian inference and ultrasonic velocity have been used to estimate the self-association concentration of the asphaltenes in toluene using a changepoint regression model. The estimated values agree with the literature information and indicate that a lower abundance of the longer side-chains can cause an earlier onset of asphaltene self-association. Asphaltenes constitute the heaviest and most complicated fraction of crude petroleum and include a surface-active sub-fraction. When present above a critical concentration in pure solvent, asphaltene “monomers” self-associate and form nanoaggregates. Asphaltene nanoaggregates are thought to play a significant role during the remediation of petroleum spills and seeps. When mixed with water, petroleum becomes expensive to remove from the water column by conventional methods. The main reason of this difficulty is the presence of highly surface-active asphaltenes in petroleum. The nanoaggregates are thought to surround the water droplets, making the water-in-oil emulsions extremely stable. Due to their molecular complexity, modelling the self-association of the asphaltenes can be a very computationally-intensive task and has mostly been approached by molecular dynamic simulations. Our approach allows the use of literature and experimental data to estimate the nanoaggregation and its credible intervals. It has a low computational cost and can also be used for other analytical/experimental methods probing a changepoint in the molecular association behaviour.
format article
author Aleksandra Svalova
David Walshaw
Clement Lee
Vasily Demyanov
Nicholas G. Parker
Megan J. Povey
Geoffrey D. Abbott
author_facet Aleksandra Svalova
David Walshaw
Clement Lee
Vasily Demyanov
Nicholas G. Parker
Megan J. Povey
Geoffrey D. Abbott
author_sort Aleksandra Svalova
title Estimating the asphaltene critical nanoaggregation concentration region using ultrasonic measurements and Bayesian inference
title_short Estimating the asphaltene critical nanoaggregation concentration region using ultrasonic measurements and Bayesian inference
title_full Estimating the asphaltene critical nanoaggregation concentration region using ultrasonic measurements and Bayesian inference
title_fullStr Estimating the asphaltene critical nanoaggregation concentration region using ultrasonic measurements and Bayesian inference
title_full_unstemmed Estimating the asphaltene critical nanoaggregation concentration region using ultrasonic measurements and Bayesian inference
title_sort estimating the asphaltene critical nanoaggregation concentration region using ultrasonic measurements and bayesian inference
publisher Nature Portfolio
publishDate 2021
url https://doaj.org/article/68fa3d635db449389bfb4d1c12c7a1a0
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AT clementlee estimatingtheasphaltenecriticalnanoaggregationconcentrationregionusingultrasonicmeasurementsandbayesianinference
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