Molecular Dynamics Simulation of Wax Molecular Diffusion Behavior in Waxy Crude Oil Emulsion with Water Content
Using molecular dynamics, the lowest energy configurations of n⁃dodecane, n⁃octadecane, and n⁃nonadecane were constructed, and the interactions between oil molecules and wax molecules were studied at different water contents (mass fractions). The molecular dynamics model of crude oil emulsion system...
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| Format: | Article |
| Language: | zho |
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Editorial Department of Journal of Liaoning Petrochemical University
2025-06-01
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| Series: | Liaoning Shiyou Huagong Daxue xuebao |
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| Online Access: | https://doi.org/10.12422/j.issn.1672-6952.2025.03.009 |
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| author | Tuerxun YILINAER· Guangjian ZHANG Li FU Kaifeng FAN Weiqiang WANG |
| author_facet | Tuerxun YILINAER· Guangjian ZHANG Li FU Kaifeng FAN Weiqiang WANG |
| author_sort | Tuerxun YILINAER· |
| collection | DOAJ |
| description | Using molecular dynamics, the lowest energy configurations of n⁃dodecane, n⁃octadecane, and n⁃nonadecane were constructed, and the interactions between oil molecules and wax molecules were studied at different water contents (mass fractions). The molecular dynamics model of crude oil emulsion system based on different mass fraction water content was constructed. The effect of water molecules dissolved in the system on the viscosity of waxy crude oil was studied. The radial distribution functions of wax molecules in different water content systems were compared. The results show that carbon number is the main factor to determine the interaction energy between crude oil molecules. With the increase of water content, the distance between molecules increases, while the interaction energy decreases. After water molecules are dissolved in the system, the distance between wax molecules and electrostatic interaction become larger, the distribution of wax molecules becomes disordered, and the flow characteristics of crude oil are improved. |
| format | Article |
| id | doaj-art-ecf9ee4d772d42a49ada6f6afdfd93d6 |
| institution | DOAJ |
| issn | 1672-6952 |
| language | zho |
| publishDate | 2025-06-01 |
| publisher | Editorial Department of Journal of Liaoning Petrochemical University |
| record_format | Article |
| series | Liaoning Shiyou Huagong Daxue xuebao |
| spelling | doaj-art-ecf9ee4d772d42a49ada6f6afdfd93d62025-08-20T03:15:26ZzhoEditorial Department of Journal of Liaoning Petrochemical UniversityLiaoning Shiyou Huagong Daxue xuebao1672-69522025-06-01453647110.12422/j.issn.1672-6952.2025.03.009Molecular Dynamics Simulation of Wax Molecular Diffusion Behavior in Waxy Crude Oil Emulsion with Water ContentTuerxun YILINAER·0Guangjian ZHANG1Li FU2Kaifeng FAN3Weiqiang WANG4College of Petroleum Engineering，Liaoning Petrochemical University，Fushun Liaoning 113001，ChinaCollege of Petroleum Engineering，Liaoning Petrochemical University，Fushun Liaoning 113001，ChinaCollege of Petroleum Engineering，Liaoning Petrochemical University，Fushun Liaoning 113001，ChinaSchool of Petroleum and Natural Gas Engineering/School of Energy，Changzhou University，Changzhou Jiangsu 213164，ChinaCollege of Petroleum Engineering，Liaoning Petrochemical University，Fushun Liaoning 113001，ChinaUsing molecular dynamics, the lowest energy configurations of n⁃dodecane, n⁃octadecane, and n⁃nonadecane were constructed, and the interactions between oil molecules and wax molecules were studied at different water contents (mass fractions). The molecular dynamics model of crude oil emulsion system based on different mass fraction water content was constructed. The effect of water molecules dissolved in the system on the viscosity of waxy crude oil was studied. The radial distribution functions of wax molecules in different water content systems were compared. The results show that carbon number is the main factor to determine the interaction energy between crude oil molecules. With the increase of water content, the distance between molecules increases, while the interaction energy decreases. After water molecules are dissolved in the system, the distance between wax molecules and electrostatic interaction become larger, the distribution of wax molecules becomes disordered, and the flow characteristics of crude oil are improved.https://doi.org/10.12422/j.issn.1672-6952.2025.03.009wax moleculescrude oil emulsionmolecular simulationmolecular diffusion |
| spellingShingle | Tuerxun YILINAER· Guangjian ZHANG Li FU Kaifeng FAN Weiqiang WANG Molecular Dynamics Simulation of Wax Molecular Diffusion Behavior in Waxy Crude Oil Emulsion with Water Content Liaoning Shiyou Huagong Daxue xuebao wax molecules crude oil emulsion molecular simulation molecular diffusion |
| title | Molecular Dynamics Simulation of Wax Molecular Diffusion Behavior in Waxy Crude Oil Emulsion with Water Content |
| title_full | Molecular Dynamics Simulation of Wax Molecular Diffusion Behavior in Waxy Crude Oil Emulsion with Water Content |
| title_fullStr | Molecular Dynamics Simulation of Wax Molecular Diffusion Behavior in Waxy Crude Oil Emulsion with Water Content |
| title_full_unstemmed | Molecular Dynamics Simulation of Wax Molecular Diffusion Behavior in Waxy Crude Oil Emulsion with Water Content |
| title_short | Molecular Dynamics Simulation of Wax Molecular Diffusion Behavior in Waxy Crude Oil Emulsion with Water Content |
| title_sort | molecular dynamics simulation of wax molecular diffusion behavior in waxy crude oil emulsion with water content |
| topic | wax molecules crude oil emulsion molecular simulation molecular diffusion |
| url | https://doi.org/10.12422/j.issn.1672-6952.2025.03.009 |
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