Simulation and experimental study on amphiphilic modified graphene oxide for EOR

The application of nanosheet in enhanced oil recovery (EOR) offers a practical approach to resolving some surface-related problems. In this study, theoretical calculation and experiment were combined to study the interfacial behavior and mechanism of amphiphilic modified graphene oxide. Octadecyl amine and aspartic acid were successfully grafted onto graphene oxide nanosheets by starch template method. The stability of the modified structure was verified by IR, XRD and SEM. The change of microstructure in molecular simulation can enhance the understanding of the structure of amphiphilic modified nanosheets under SEM. The contact angle experiment directly shows its amphiphilicity, which shows that the contact angle of hydrophilic surface is 34.6° and that of hydrophobic surface is 103.5°. The interfacial elasticity experiment shows that the interfacial film formed by synthetic GOTA has certain elasticity. When the concentration increases, the interfacial film formed in the adsorption process can effectively separate the oil and water phases. Based on the interfacial tension value, the ability of graphene oxide and modified graphene oxide with different concentrations to reduce the interfacial tension between distilled water and diesel oil was investigated successively. The mechanism of GOTA action was explained from the aspects of molecular structure and energy by molecular simulation. The results show that the interfacial tension fluctuates around 16 mN/m when the GOTA concentration is 0.005%, and the average interfacial tension is 17.48 mN/m when the GOTA concentration (molecular number percentage) is 0.004% in the simulation process, which is highly consistent. Further studies have shown that the interface formation energy of the system is significantly reduced after the addition of zwitterionic surfactants, and the interfacial tension can be reduced to 11.95 mN/m. With the help of molecular simulation, the adsorption mechanism of GOTA on the interface is explained from the aspects of microstructure change, interaction energy, cohesion energy, interface density and conformation. The adjustment of these interactions will directly affect the oil-water interface morphology and interfacial tension.