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PHYSICAL CHEMISTRY CHEMICAL PHYSICS · 2011 ·Vol. 13 ·期 38 ·17323-17332 · IF 3.454

Synthesis and dissipative particle dynamics simulation of cross-linkable fluorinated diblock copolymers: self-assembly aggregation behavior in different solvents

Shu-le Lin,Xiu-fang Wen,Zhi-qi Cai,Pi-hui Pi,Da-feng Zheng,Jiang Cheng,Li-juan Zhang,Yu Qian,Zhuo-ru Yang

Developing microstructures, such as low molecular aggregates, spherical micelles and multi-compartment micelles, is an expanding area of research in Materials Science. By applying an atom transfer radical polymerization (ATRP) process to cross-linkable fluorinated diblock copolymers and analyzing the data we are able to demonstrate the potential for developing films with different micro-structures for additional biological research. Applying the Dissipative Particle Dynamic (DPD) Method, Transmission Electron Microscopy (TEM) and Scanning Electron Microscopy (SEM) techniques to cross-linkable fluorinated diblock copolymers of (methyl methacrylate-co-hydroxyethyl methacrylate-co-butyl methacrylate)-b-2-(perfluoroalkyl)ethyl methacrylate (MMA-co-HEMA-co-BMA-b-FMA) we were able to analyze the structures and their relationships to the aggregation of various microstructure formations through the use of various solvents in the process. For the self-assembly of the cross-linkable diblock copolymer in solutions, the DPD simulation results are only in qualitative agreement with experimental data of aggregate morphologies and sizes. This suggests an improved approach to creating materials and methods necessary for studying microstructures in films used in other research areas. Our work examines whether using selective solvents can be easily extended to prepare aggregates with different morphologies, which is an effective shortcut to obtain films with different microstructures. DPD simulation can be considered as an adjunct to experiments and provides other valuable information for the experiment.

研究领域: 材料科学 · 高分子化学 · 生物材料
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CHEMICAL ENGINEERING JOURNAL · 2020 · IF 10.652

Rapid visualized hydrophobic-force-driving self-assembly towards brilliant photonic crystals

Yu Tian,Zhijie Zhu,Qing Li,Jing Zhang,Cai-Feng Wang,Guan Wu,Shen Shen Li,Ji Jun Xiao,Su Chen

Methods that allow the self-assembly of colloidal nano/micro-particles into controllable structures are highly important in many applications, such as photonics, biosensors and electronic chemicals. However, the complicated procedures, low assembly efficiency and multiscale integration of self-assembly of colloidal particles have become great challenges. Here, we first develop a hydrophobic-force-induced self-assembly (HFSA) method to fabricate homogeneous and binary colloidal microdroplets by the feed of volatile fluorocarbon oil. Specially, both mono-color and dual-color colloidal photonic crystals (CPCs) can be architected via HFSA in an efficient (within 200 s), coffee-ring free and visualized fashion. Additionally, such effective HFSA process is further confirmed by dissipative particle dynamics (DPD) simulations. Moreover, a variety of multi-structural colored CPCs are available by using hydrophobic reagents, combining with the visualized HFSA process. This work presents an easy-to-perform platform for designing orderly structural materials, which will significantly highlight the development of colloidal assembly methodology.

研究领域: 材料科学 · 光子学 · 胶体化学 · 自组装技术
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CHEMICAL ENGINEERING SCIENCE · 2024 · IF 4.1

Synergistic mechanism in anionic/zwitterionic and anionic/nonionic surfactant mixtures on improving the thermal stability of emulsions: An experimental and simulation study

Zilong Liu,Ping Liu,Yanxiao Hei,Di Shi,Fengzhi Guo,Xue Li,Wenxiu Leng,Qichao Lv,Weichao Sun

Surfactant emulsions are crucial for stabilizing and enhancing the dispersibility of immiscible substances, enabling efficient mixing and delivery of active ingredients in various industries such as oil recovery, pharmaceuticals, food, and cosmetics. However, a comprehensive understanding of the synergistic mechanism governing surfactant-formed emulsions and their thermal stability remains elusive. Motivated by these knowledge gaps, the self-assembly and interfacial behavior of binary surfactants as well as their influence on the thermal stability of emulsions were systematically investigated. Utilizing a combination of experimental and theoretical approaches, we observed extraordinary synergistic effects in the anionic/zwitterionic and anionic/nonionic surfactant systems, leading to a significant reduction in surface tension and critical micelle concentration, quantitatively assessed by activity parameters and intermolecular interaction parameters. The microscopic mechanism responsible for the observed synergistic effects was investigated by dissipative particle dynamics (DPD) simulations, which could be attributed to steric effects, electrostatic interactions, and hydrophobic interactions. The self-assembly behavior of binary surfactants into micelles was further analyzed to substantiate these findings. Furthermore, the synergistic effects of emulsification performance and thermal stability in binary surfactant systems were quantified by water separation rate and emulsification composite index. Coarse-grained models of oil/water/surfactants were developed to demonstrate the augmented stability of interfacial films to the presence of binary surfactants. The obtained results shed lights on the inherent synergistic mechanism within binary surfactant mixtures, demonstrating their potential in enhancing emulsion thermal stability and paving the way for diverse industrial applications.

研究领域: 化学工程 · 材料科学 · 胶体与表面化学 · 物理化学 · 工业化学
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