The Mesodyn simulation of pluronic water mixtures using the 'equivalent chain' method

Citation
Yy. Li et al., The Mesodyn simulation of pluronic water mixtures using the 'equivalent chain' method, PHYS CHEM P, 2(12), 2000, pp. 2749-2753
Citations number
20
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISSN journal
14639076 → ACNP
Volume
2
Issue
12
Year of publication
2000
Pages
2749 - 2753
Database
ISI
SICI code
1463-9076(2000)2:12<2749:TMSOPW>2.0.ZU;2-8
Abstract
The new dynamic density functional method-mesoscopic dynamics (Mesodyn)-was used to simulate microphage separation kinetics of aqueous pluronic soluti ons. The 'equivalent chain' method was used to perform the parameterization of the Gaussian chain. Three kinds of pluronic solutions, i.e. (EO)(6)(PO) (34)(EO)(6) (L62), (EO)(13)(PO)(30)(EO)(13) (L64) and (EO)(37)(PO)(58)(EO)( 37) (P105), were investigated at different temperatures. The factors influe ncing the self-assembly morphology of the copolymer solution were discussed . The simulation results show that the less hydrophobic PO component, the l ess possibility there is of forming a core of the hydrophobic region. The s imulation results also indicate that an increase of temperature results in a decrease in the interfacial area and an increase in the periodicity of th e pluronic water system. The dynamic evolution process of the system and th e factors affecting the process were also investigated and discussed here. The simulation results show that when the temperature increases, the phase separation process becomes slow.