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

论文摘要

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.

论文目录

• Introduction
• Methodology
•   DPD Method
•   Coarse-Grained Model
•   Interaction Parameters
• Results and Discussion
•   Mesoporous Carbon Self-Assembly Process
•   Formation Mechanism of Mesoporous Carbon Pore Structure
• Conclusions

文章来源

类型: 期刊论文

作者: Na Sun,Minhua Zhang,Xiuqin Dong,Lingtao Wang

来源: Transactions of Tianjin University 2019年05期

年度: 2019

分类: 工程科技Ⅱ辑,工程科技Ⅰ辑

专业: 无机化工

单位: R&D Center of Petrochemical Technology , Tianjin University,Key Laboratory for Green Chemical Technology of Ministry of Education , Tianjin University

基金: supported by the National Natural Science Foundation of China (No. 21104035)

分类号: TQ127.11

页码: 559-566

总页数: 8

文件大小: 11257K

下载量: 4