Shape transition of water-in-CO2 reverse micelles controlled by the surfactant midpiece

Literature Information

Publication Date 2018-05-19
DOI 10.1039/C8CP01844H
Impact Factor 3.676
Authors

Muhan Wang, Junfeng Wang, Timing Fang, Youguo Yan, Zhiyuan Wang, Jun Zhang


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Abstract

Designing CO2-philic surfactants for generating wormlike reverse micelles (RMs) is an effective approach to enhance the viscosity of supercritical CO2 (scCO2), however this remains challenging. Modifying the middle piece (midpiece) of surfactant tails is a potential method to generate wormlike RMs, but the underlying mechanism is still unclear. Herein, by adopting molecular dynamics simulations, the self-assembly of the hybrid surfactant FC6–HC5 in scCO2 was investigated. It was found that the FC6–HC5 with an alkyl midpiece could form spherical RMs. By introducing phenyl on the surfactant midpiece, a transformation of the RMs from a spherical shape to a wormlike shape was achieved. The improved fusion free energy was demonstrated to promote the fusion of the spherical RMs to form wormlike RMs. Further analysis indicated that, originating from the π–π interaction, the introduced phenyl assists the parallel arrangement of FC6–HC5, resulting in the improved fusion ability. Moreover, according to the analysis on interfacial properties, introducing phenyl had little effect on the surfactant CO2-philicity. Therefore, modifying the midpiece is a great method for designing hybrid surfactants to generate wormlike RMs while maintaining their high CO2-philicity. This strategy of generating wormlike RMs is expected to facilitate the application of scCO2 meeting industrial requirements.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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