Dissipative particle dynamics simulation for the effect of interaction on the self-assembly behaviours of heterogemini surfactant in aqueous solution |
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| Authors: | Yi Xu Lingling Wang Hao Yan Yong Wang Jian Feng |
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| Affiliation: | 1. Department of Chemical Engineering and Technology, School of Environmental and Chemical Engineering, Shanghai University, Shanghai, Chinatree2000xy@shu.edu.cn;3. Department of Chemical Engineering and Technology, School of Environmental and Chemical Engineering, Shanghai University, Shanghai, China;4. Department of Applied Chemistry, School of Material Science and Chemical Engineering, Chuzhou University, Chuzhou, China |
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| Abstract: | Self-assembly behaviours of heterogemini surfactant in aqueous solution have been explored by means of dissipative particle dynamics simulation. Five kinds of heterogemini molecules are involved and a variety of novel morphologies have been obtained. Results based on detailed analyses show that head–tail and tail–water interactions play different roles in the formation of six kinds of self-assembly morphologies. The key factors are tail–water and head–tail repulsions separately for morphology with small (sphere) and relatively large scales (rod, planar grid, lamella and tunnels). Besides, the appearance of network in only one system can be regarded as a particular type of intermediate state. Coexistence of several sphere micelles in an amplified dissipative particle dynamics system gives us a better understanding of interactions inside the soft matter. Our simulation results can provide a theoretical guide to further research towards self-assembly behaviours of heterogemini surfactants and practical applications of these matters. |
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| Keywords: | Self-assembly heterogemini surfactant interaction dissipative particle dynamics |
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