Dissipative particle dynamics simulation of grafted polymer brushes under shear

被引:71
作者
Irfachsyad, D [1 ]
Tildesley, D
Malfreyt, P
机构
[1] Unilever Res Port Sunlight, Wirral CH63 3JW, Merseyside, England
[2] Univ Clermont Ferrand, CNRS, UMR 6003, Lab Thermodynam Solut & Polymeres, F-63177 Clermont Ferrand, France
关键词
D O I
10.1039/b110738k
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
The dissipative particle dynamics technique has been used to study grafted polymer chains under shear in solvents of different quality. We show that width of the grafted polymer chains decreases with increasing shear rate for an adsorbed monolayer and bilayer in an athermal solvent but that the layer shrinks in a poor solvent and there is no further decrease in the width on shearing. The polymer chains are preferentially aligned along the direction of the shear and tilted away from the surface normal with even the smallest shear rates. The orientational ordering with respect to the layer director increases with increasing shear. Reducing the quality of the solvent dramatically reduces the width of the grafted layers and the friction between them.
引用
收藏
页码:3008 / 3015
页数:8
相关论文
共 24 条
[1]   ADSORPTION OF CHAIN MOLECULES WITH A POLAR HEAD A-SCALING DESCRIPTION [J].
ALEXANDER, S .
JOURNAL DE PHYSIQUE, 1977, 38 (08) :983-987
[2]   SHEAR VISCOSITY VIA PERIODIC NONEQUILIBRIUM MOLECULAR-DYNAMICS [J].
ASHURST, WT ;
HOOVER, WG .
PHYSICS LETTERS A, 1977, 61 (03) :175-177
[3]   Structure of polymer brushes under shear flow in a good solvent [J].
Baker, SM ;
Smith, GS ;
Anastassopoulos, DL ;
Toprakcioglu, C ;
Vradis, AA ;
Bucknall, DG .
MACROMOLECULES, 2000, 33 (04) :1120-1122
[4]  
Barnes H. A., 1989, INTRO RHEOLOGY
[5]  
BARRAT JL, 1991, MACROMOLECULES, V24, P3704
[6]  
ESPANOL P, 1996, PHYS REV E, V52, P5072
[7]  
GRANICK S, 1995, ISRAEL J CHEM, V35, P75
[8]  
Grest G.S., 1995, MONTE CARLO MOL DYNA, P476
[9]  
Grest GS, 1999, ADV POLYM SCI, V138, P149