Morphology of multi-component polymer systems:: single chain in mean field simulation studies

被引:115
作者
Daoulas, Kostas Ch.
Mueller, Marcus
de Pablo, Juan J.
Nealey, Paul F.
Smith, Grant D.
机构
[1] Univ Gottingen, Inst Theoret Phys, D-37077 Gottingen, Germany
[2] Univ Wisconsin, Dept Biol & Chem Engn, Madison, WI 53706 USA
[3] Univ Utah, Dept Mat Sci & Engn, Salt Lake City, UT 84112 USA
关键词
D O I
10.1039/b602610a
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Recent work exploring phase separation and self-assembly in multicomponent polymer fluids using a particle-based self-consistent field simulation method is reviewed. The computational method is placed in the context of classical molecular dynamics and Monte Carlo simulations as well as field-theoretic approaches. Its potential is illustrated by applications ranging from spinodal decomposition in symmetric polymer blends and the ordering of diblock copolymers in the bulk to more complex phenomena such as solvent evaporation from thin polymer films and the fabrication of three-dimensional bicontinuous diblock copolymer morphologies via reconstruction on patterned substrates.
引用
收藏
页码:573 / 583
页数:11
相关论文
共 105 条
[1]   Equilibration of long chain polymer melts in computer simulations [J].
Auhl, R ;
Everaers, R ;
Grest, GS ;
Kremer, K ;
Plimpton, SJ .
JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (24) :12718-12728
[2]   Equilibrium sampling of self-associating polymer solutions: A parallel selective tempering approach [J].
Ayyagari, C ;
Bedrov, D ;
Smith, GD .
JOURNAL OF CHEMICAL PHYSICS, 2005, 123 (12)
[3]  
Balazs AC, 2005, SOFT MATTER, V1, P44, DOI 10.1039/b500866b
[4]  
Baschnagel J, 2000, ADV POLYM SCI, V152, P41
[5]   STATIC AND DYNAMIC CROSSOVER IN A CRITICAL POLYMER MIXTURE [J].
BATES, FS ;
ROSEDALE, JH ;
STEPANEK, P ;
LODGE, TP ;
WILTZIUS, P ;
FREDRICKSON, GH ;
HJELM, RP .
PHYSICAL REVIEW LETTERS, 1990, 65 (15) :1893-1896
[6]  
BEDROV D, 2006, J CHEM THEORY COMPUT, V2, DOI DOI 10.1012/CT050334K
[7]  
Binder, 1995, MONTE CARLO MOL DYNA
[8]   Polymer plus solvent systems:: Phase diagrams, interface free energies, and nucleation [J].
Binder, K ;
Müller, M ;
Virnau, P ;
MacDowell, LG .
ADVANCED COMPUTER SIMULATION APPROACHES FOR SOFT MATTER SCIENCES I, 2005, 173 :1-104
[10]  
Binder K, 2000, CURR OPIN COLLOID IN, V5, P315