Dissipative Particle Dynamics Simulations of the Self-assembly Mechanisms of Fluorinated Ordered Mesoporous Carbon in the Aqueous Phase

Abstract

To clarify the preparation mechanisms of fluorinated ordered mesoporous carbon materials (FOMCs), the dissipative particle dynamics method was used to simulate the self-assembly process of the amphiphilic triblock poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) copolymer Pluronic F127 in the aqueous system. The self-assembly mechanisms in aqueous phase and the formation mechanisms of micropores and mesopores were investigated. It was found that the mesoporous structure of the FOMCs was formed by the hydrophobic segments of F127, while the pore wall was formed by both the hydrophilic segments and the carbon precursor in the system. The microporous structure on the pore wall was constructed by the carbon source in the hydrophilic segments’ spaces after the template was removed. Our findings could provide understanding and knowledge for the synthesis of mesoporous carbon by the self-assembly method on the mesoscopic scale.