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Mechanism Analysis of Heavy Oil Viscosity Reduction by Ultrasound and Viscosity Reducers Based on Molecular Dynamics Simulation

[Image: see text] Ultrasound and viscosity reducers are commonly used methods to reduce the viscosity of heavy oil. In order to compare the viscosity reduction effects of ultrasound and viscosity reducers and study their mechanism of interaction on heavy oil, molecular dynamics simulation was carrie...

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Autores principales: Zhang, Saqi, Li, Qiang, Xie, Quntao, Zhu, Haowei, Xu, Weiwei, Liu, Zhaozeng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9583320/
https://www.ncbi.nlm.nih.gov/pubmed/36278112
http://dx.doi.org/10.1021/acsomega.2c02198
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author Zhang, Saqi
Li, Qiang
Xie, Quntao
Zhu, Haowei
Xu, Weiwei
Liu, Zhaozeng
author_facet Zhang, Saqi
Li, Qiang
Xie, Quntao
Zhu, Haowei
Xu, Weiwei
Liu, Zhaozeng
author_sort Zhang, Saqi
collection PubMed
description [Image: see text] Ultrasound and viscosity reducers are commonly used methods to reduce the viscosity of heavy oil. In order to compare the viscosity reduction effects of ultrasound and viscosity reducers and study their mechanism of interaction on heavy oil, molecular dynamics simulation was carried out in this paper. First, a molecular model of heavy oil composed of asphaltene, resin, aromatic hydrocarbon, and saturated hydrocarbon was established in this work. Through molecular dynamics simulation, the different effects of ultrasound and viscosity reducers on the viscosity reduction rate, hydrogen bond number, hydrogen bond type, and occupation rate were obtained, and the viscosity reduction mechanism of ultrasound and viscosity reducers was analyzed. By calculating the viscosity reduction rate and the number of hydrogen bonds of five oil-soluble viscosity reducers with or without ultrasound, it was found that the types of hydrogen bonds affecting the viscosity reduction effect were different with or without ultrasound or viscosity reducer, and the type and content of viscosity reducer would affect the effect of ultrasonic viscosity reduction. The amplitude, frequency, and temperature of ultrasound were also the factors affecting the effect of viscosity reducers. The simulation results helped to explain the mechanism of jointly reducing the viscosity of heavy oil by ultrasound and viscosity reducers from the microscopic point of view and provided a theoretical basis for the industrial application of ultrasound and viscosity reducers to reduce the viscosity of heavy oil.
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spelling pubmed-95833202022-10-21 Mechanism Analysis of Heavy Oil Viscosity Reduction by Ultrasound and Viscosity Reducers Based on Molecular Dynamics Simulation Zhang, Saqi Li, Qiang Xie, Quntao Zhu, Haowei Xu, Weiwei Liu, Zhaozeng ACS Omega [Image: see text] Ultrasound and viscosity reducers are commonly used methods to reduce the viscosity of heavy oil. In order to compare the viscosity reduction effects of ultrasound and viscosity reducers and study their mechanism of interaction on heavy oil, molecular dynamics simulation was carried out in this paper. First, a molecular model of heavy oil composed of asphaltene, resin, aromatic hydrocarbon, and saturated hydrocarbon was established in this work. Through molecular dynamics simulation, the different effects of ultrasound and viscosity reducers on the viscosity reduction rate, hydrogen bond number, hydrogen bond type, and occupation rate were obtained, and the viscosity reduction mechanism of ultrasound and viscosity reducers was analyzed. By calculating the viscosity reduction rate and the number of hydrogen bonds of five oil-soluble viscosity reducers with or without ultrasound, it was found that the types of hydrogen bonds affecting the viscosity reduction effect were different with or without ultrasound or viscosity reducer, and the type and content of viscosity reducer would affect the effect of ultrasonic viscosity reduction. The amplitude, frequency, and temperature of ultrasound were also the factors affecting the effect of viscosity reducers. The simulation results helped to explain the mechanism of jointly reducing the viscosity of heavy oil by ultrasound and viscosity reducers from the microscopic point of view and provided a theoretical basis for the industrial application of ultrasound and viscosity reducers to reduce the viscosity of heavy oil. American Chemical Society 2022-10-06 /pmc/articles/PMC9583320/ /pubmed/36278112 http://dx.doi.org/10.1021/acsomega.2c02198 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by-nc-nd/4.0/Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Zhang, Saqi
Li, Qiang
Xie, Quntao
Zhu, Haowei
Xu, Weiwei
Liu, Zhaozeng
Mechanism Analysis of Heavy Oil Viscosity Reduction by Ultrasound and Viscosity Reducers Based on Molecular Dynamics Simulation
title Mechanism Analysis of Heavy Oil Viscosity Reduction by Ultrasound and Viscosity Reducers Based on Molecular Dynamics Simulation
title_full Mechanism Analysis of Heavy Oil Viscosity Reduction by Ultrasound and Viscosity Reducers Based on Molecular Dynamics Simulation
title_fullStr Mechanism Analysis of Heavy Oil Viscosity Reduction by Ultrasound and Viscosity Reducers Based on Molecular Dynamics Simulation
title_full_unstemmed Mechanism Analysis of Heavy Oil Viscosity Reduction by Ultrasound and Viscosity Reducers Based on Molecular Dynamics Simulation
title_short Mechanism Analysis of Heavy Oil Viscosity Reduction by Ultrasound and Viscosity Reducers Based on Molecular Dynamics Simulation
title_sort mechanism analysis of heavy oil viscosity reduction by ultrasound and viscosity reducers based on molecular dynamics simulation
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9583320/
https://www.ncbi.nlm.nih.gov/pubmed/36278112
http://dx.doi.org/10.1021/acsomega.2c02198
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