Molecular Dynamics of Decane Solubilization and Diffusion of Aggregates Consisting of Surfactant and Decane Molecules in Aqueous Solutions

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.

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Molecular Dynamics of Decane Solubilization and Diffusion of Aggregates Consisting of Surfactant and Decane Molecules in Aqueous Solutions

Cited by 3 publications

References 43 publications

Emulsification mechanism of surfactants in different oil phases: A dissipative particle dynamics study

Emulsification mechanism of surfactants in different oil phases: A dissipative particle dynamics study

Molecular Dynamics Simulations for Surfactant Research (A Review)

Molecular Dynamics Simulations for Surfactant Research (A Review)

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