https://scholars.lib.ntu.edu.tw/handle/123456789/84515
Title: | Phase Behavior of an Amphiphilic Molecule in the Presence of Two Solvents by Dissipative Particle Dynamics | Authors: | Huang, Ching-I Chiou, Yu-Jeng Lan, Yi-Kang |
Keywords: | Amphiphilic; Dissipative particle dynamics; Solvent immiscibility | Issue Date: | 2007 | Journal Volume: | 48 | Journal Issue: | 3 | Start page/Pages: | 877-886 | Source: | Polymer | Abstract: | We examine the phase behavior of AmBn amphiphilic molecules in the presence of two solvents X2 and Y2, which are strongly selective for A and B, respectively, by dissipative particle dynamics (DPD). We find that increasing the immiscibility parameter between the two solvents not only drives a macrophase separation into two phases X2-rich and Y2-rich for systems at less concentrated regimes, but also expands the ordered microphase region at more concentrated regimes. It even induces a sequential transition of various ordered structures. This is not surprising since increasing the solvent immiscibility parameter enhances the preferentiality of X2 for A and Y2 for B, and thus qualitatively varies the degree of molecular asymmetry in the amphiphilic molecules. In general, our current results reveal that the DPD simulation method has successfully captured the phase separation behavior of an amphiphilic molecule in the presence of two solvents. However, we find that the packing order of the spherical micelles is greatly affected by the finite size of the simulation box. As such, it becomes difficult to examine the most stable packing array of spheres via the DPD method. Still, DPD reveals a possible spherical order of A15, which has been observed in some amphiphilic molecule systems. © 2007 Elsevier Ltd. All rights reserved. |
URI: | http://ntur.lib.ntu.edu.tw//handle/246246/127915 https://www.scopus.com/inward/record.uri?eid=2-s2.0-33846217794&doi=10.1016%2fj.polymer.2006.12.017&partnerID=40&md5=2df0bcb725a3ecf4c5232cff89e6147e |
ISSN: | 00323861 | SDG/Keyword: | Computer simulation; Micelles; Phase separation; Solubility; Solvents; Amphiphilic; Dissipative particle dynamics (DPD); Molecular asymmetry; Solvent immiscibility; Molecular structure; dynamics; phase separation; simulation; solvent |
Appears in Collections: | 高分子科學與工程學研究所 |
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