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
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Phase diagram for self-assembly of amphiphilic molecule C12E6 by dissipative particle dynamics simulation
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=−20,0,10, and 20, at a dimensionless temperature of T=0.5 and a concentration of amphiphilic molecules in water of ϕ=50%, the phase structures grew to lamellar (x=−20), 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 1–3, 1 July 2005, Pages 139-143
نویسندگان
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