Molecular Dynamics Simulations for Surfactant Research (A Review)
This review discusses the theoretical basis and examples of implementation of various molecular modeling approaches to the investigation of the properties of surfactants. These surfactant properties include the ability to reduce the interfacial tension and alter the wettability and viscosity of solu...
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| Veröffentlicht in: | Petroleum chemistry 2023-08, Vol.63 (8), p.867-885 |
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| container_title | Petroleum chemistry |
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| creator | Ivanova, A. A. Koltsov, I. N. Groman, A. A. Cheremisin, A. N. |
| description | This review discusses the theoretical basis and examples of implementation of various molecular modeling approaches to the investigation of the properties of surfactants. These surfactant properties include the ability to reduce the interfacial tension and alter the wettability and viscosity of solutions for the purposes of chemical flooding of crude oil reservoirs. A comparative analysis of the advantages and disadvantages of the existing molecular dynamics simulation methods is further provided. It is shown that molecular modeling methods can significantly facilitate the choice of surfactants for specific oil field conditions and can serve as a potential alternative to experimental measurements. |
| doi_str_mv | 10.1134/S0965544123060142 |
| format | Article |
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A. ; Koltsov, I. N. ; Groman, A. A. ; Cheremisin, A. N.</creator><creatorcontrib>Ivanova, A. A. ; Koltsov, I. N. ; Groman, A. A. ; Cheremisin, A. N.</creatorcontrib><description>This review discusses the theoretical basis and examples of implementation of various molecular modeling approaches to the investigation of the properties of surfactants. These surfactant properties include the ability to reduce the interfacial tension and alter the wettability and viscosity of solutions for the purposes of chemical flooding of crude oil reservoirs. A comparative analysis of the advantages and disadvantages of the existing molecular dynamics simulation methods is further provided. It is shown that molecular modeling methods can significantly facilitate the choice of surfactants for specific oil field conditions and can serve as a potential alternative to experimental measurements.</description><identifier>ISSN: 0965-5441</identifier><identifier>EISSN: 1555-6239</identifier><identifier>DOI: 10.1134/S0965544123060142</identifier><language>eng</language><publisher>Moscow: Pleiades Publishing</publisher><subject>Chemistry ; Chemistry and Materials Science ; Industrial Chemistry/Chemical Engineering ; Modelling ; Molecular dynamics ; Oil fields ; Surface tension ; Surfactants ; Wettability</subject><ispartof>Petroleum chemistry, 2023-08, Vol.63 (8), p.867-885</ispartof><rights>Pleiades Publishing, Ltd. 2023. 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| ispartof | Petroleum chemistry, 2023-08, Vol.63 (8), p.867-885 |
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| language | eng |
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| source | Springer Nature - Complete Springer Journals; Business Source Complete |
| subjects | Chemistry Chemistry and Materials Science Industrial Chemistry/Chemical Engineering Modelling Molecular dynamics Oil fields Surface tension Surfactants Wettability |
| title | Molecular Dynamics Simulations for Surfactant Research (A Review) |
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