کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9667522 | 863757 | 2005 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Phase diagram for self-assembly of amphiphilic molecule C12E6 by dissipative particle dynamics simulation
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
In a previous study, dissipative particle dynamics simulation was used to qualitatively clarify the phase diagram of the amphiphilic molecule hexaethylene glycol dodecyl ether (C12E6). In the present study, the hydrophilicity dependence of the phase structure was clarified qualitatively by varying the interaction potential between hydrophilic molecules and water molecules in a dissipative particle dynamics (DPD) simulation using the Jury model. By varying the coefficient of the interaction potential x between hydrophilic beads and water molecules as x=â20,0,10, and 20, at a dimensionless temperature of T=0.5 and a concentration of amphiphilic molecules in water of Ï=50%, the phase structures grew to lamellar (x=â20), hexagonal (x=0), and micellar (x=10) phases. For x=20, phase separation occurs between hydrophilic beads and water molecules.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computer Physics Communications - Volume 169, Issues 1â3, 1 July 2005, Pages 139-143
Journal: Computer Physics Communications - Volume 169, Issues 1â3, 1 July 2005, Pages 139-143
نویسندگان
Hiroaki Nakamura, Yuichi Tamura,