(484i) Collapse of Particle-Laden Interfaces: Effects of Surfactants
AIChE Annual Meeting
2020
2020 Virtual AIChE Annual Meeting
Engineering Sciences and Fundamentals
Modeling of Interfacial Systems
Friday, November 20, 2020 - 10:00am to 10:15am
In this study, we investigate the behavior of NPs and surfactants at the oil/water interface under compression using dissipative particle dynamics simulation [5]. NPs with different patterns of surface coverage with hydrophilic and hydrophobic sites, and different wettability are studied. The surfactant used is the non-ionic Octaethylene glycol monododecyl ether (C12E8). The model for surfactant is validated by comparing it to the experimental data for the change in the oil/water interfacial tension with surfactant concentration. Meanwhile, the contact angle is used as the criterion to verify the model parameters for NPs. When compressing the particle-stabilized interface, the collapse mechanism largely depends on the particle surface wettability, which agrees with previous findings [4]. When both surfactants and NPs are present, the three-phase contact angles of the NPs change due to the competitive adsorption of surfactants on the interface. The presence of surfactants affects the collapse mechanism of NPs with different magnitudes depending on the wettability of the NPs. In the case of Janus particles with a 50% hydrophobic surface, adding surfactant does not change the resulting behavior; while with other coverages, the collapse mode could switch from buckling to particle expulsion. Our results provide a mechanism that could be beneficial in the design of NPs and surfactants to achieve desired collapse behavior for different applications.
ACKNOWLEDGEMENTS
Acknowledgment is made to the donors of The American Chemical Society Petroleum Research Fund for partial support of this research through grant PRF # 58518-ND9, and to NSF for grant CBET 1934513. The use of computing facilities at the University of Oklahoma Supercomputing Center for Education and Research (OSCER) and at XSEDE (under allocation CTS-090025) is gratefully acknowledged.
REFERENCES
- Rosen, M.J. and J.T. Kunjappu, Surfactants and interfacial phenomena. 2012: John Wiley & Sons.
- Vu, T.V. and D.V. Papavassiliou, Synergistic effects of surfactants and heterogeneous nanoparticles at oil-water interface: Insights from computations. Journal of Colloid and Interface Science, 2019. 553: p. 50-58.
- Pawar, A.B., et al., Arrested coalescence in Pickering emulsions. Soft Matter, 2011. 7(17): p. 7710-7716.
- Razavi, S., et al., Collapse of Particle-Laden Interfaces under Compression: Buckling vs Particle Expulsion. Langmuir, 2015. 31(28): p. 7764-7775.
- Groot, R.D. and P.B. Warren, Dissipative particle dynamics: Bridging the gap between atomistic and mesoscopic simulation. The Journal of Chemical Physics, 1997. 107(11): p. 4423-4435.