The dynamic mean-field density functional method and its application to the mesoscopic dynamics of quenched block copolymer melts

被引:341
作者
Fraaije, JGEM
vanVlimmeren, BAC
Maurits, NM
Postma, M
Evers, OA
Hoffmann, C
Altevogt, P
GoldbeckWood, G
机构
[1] UNIV GRONINGEN,GRONINGEN BIOMOL SCI & BIOTECHNOL INST,DEPT BIOPHYS CHEM,NL-9747 AG GRONINGEN,NETHERLANDS
[2] BASF AG,DEPT INFORMAT,ZX ZC,D-67056 LUDWIGSHAFEN,GERMANY
[3] IBM EMEA CROSS IND,TECH CTR EUROPE,D-69115 HEIDELBERG,GERMANY
[4] MOL SIMULAT LTD,CAMBRIDGE CB5 8RE,ENGLAND
关键词
D O I
10.1063/1.473129
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
In this paper we discuss a new generalized time-dependent Ginzburg-Landau theory for the numerical calculation of polymer phase separation kinetics in 3D. The thermodynamic forces are obtained by a mean-field density functional method, using a Gaussian chain as a molecular model. The method is especially aimed at describing the formation kinetics of the irregular morphologies which are typical for many industrial systems. As proof of concept we present the formation of irregular morphologies in quenched symmetric and asymmetric block copolymer melts. (C) 1997 American Institute of Physics.
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页码:4260 / 4269
页数:10
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