Monte Carlo simulation for the micellar behavior of amphiphilic comb-like copolymers

Micellar behaviors in 2D and 3D lattice models for amphiphilic comb-like copolymers in water phase and in water/oil mixtures were simulated. A dynamical algorithm together with chain reptation movements was used in the simulation. Three-dimension displaying program was programmed and free energy was...

Full description

Saved in:
Bibliographic Details
Published inScience China. Chemistry Vol. 43; no. 4; pp. 366 - 374
Main Authors Feng, Ying, Sui, Jiaxian, Zhao, Jiruo, Chen, Xinfang
Format Journal Article
LanguageEnglish
Published Heidelberg Springer Nature B.V 01.08.2000
Qingdao Institute of Chemical Technology, Qingdao 266042, China%Material Department of Jilin University, Changchun 130021, China
Subjects
Algorithms
Chain entanglement
Computer simulation
Copolymers
Free energy
Micelles
Monte Carlo simulation
Reptation
Three dimensional models
emulsion
Monte Carlo method
amphiphile
Online AccessGet full text

Cover

More Information
Summary:Micellar behaviors in 2D and 3D lattice models for amphiphilic comb-like copolymers in water phase and in water/oil mixtures were simulated. A dynamical algorithm together with chain reptation movements was used in the simulation. Three-dimension displaying program was programmed and free energy was estimated by Monte Carlo technique. The results demonstrate that reduced interaction energy influences morphological structures of micelle and emulsion systems greatly; 3D simulation showing can display more direct images of morphological structures; the amphiphilic comb-like polymers with a hydrophobic main chain and hydrophilic side chains have lower energy in water than in oil.
ISSN:1006-9291
1674-7291
1862-2771
1869-1870
DOI:10.1007/BF02969442