A polymer chain trapped between two parallel repulsive walls: A Monte-Carlo test of scaling behavior

被引:91
作者
Milchev, A
Binder, K
机构
[1] Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany
[2] Bulgarian Acad Sci, Inst Phys Chem, BU-1113 Sofia, Bulgaria
关键词
D O I
10.1007/s100510050338
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
An off-lattice bead-spring model of a polymer chain trapped between two parallel walls a distance D apart is studied by Monte-Carlo methods, using chain lengths N in the range 32 less than or equal to N less than or equal to 512 and distances D from 4 to 32 (in units of the maximum spring extension). The scaling behavior of the coil linear dimensions parallel to the plates and of the force on the walls is studied and discussed with the help of current theoretical predictions. Also the density profiles of the monomers across the slit are obtained and it is shown that the predicted variation with the distance z from a wall, rho(z) proportional to z(1/nu), is obtained only when one introduces an extrapolation length lambda in the description, rho(z) proportional to [(z + lambda)/D](1/nu), with lambda approximate to 0.35. An analogous result is also obtained for Gaussian chains (where 1/nu = 2).
引用
收藏
页码:477 / 484
页数:8
相关论文
共 32 条
[1]  
Allen M. P., 1987, Computer Simulation of Liquids, DOI DOI 10.1093/OSO/9780198803195.001.0001
[2]   CONCENTRATION PROFILE OF POLYMER-SOLUTIONS NEAR A SOLID WALL [J].
AUSSERRE, D ;
HERVET, H ;
RONDELEZ, F .
PHYSICAL REVIEW LETTERS, 1985, 54 (17) :1948-1951
[3]  
Binder, 1995, MONTE CARLO MOL DYNA
[4]   Simulation studies on the dynamics of polymers at interfaces [J].
Binder, K ;
Milchev, A ;
Baschnagel, J .
ANNUAL REVIEW OF MATERIALS SCIENCE, 1996, 26 :107-134
[5]   PHASE-TRANSITIONS AND STATIC SPIN CORRELATIONS IN ISING MODELS WITH FREE SURFACES [J].
BINDER, K ;
HOHENBERG, PC .
PHYSICAL REVIEW B-SOLID STATE, 1972, 6 (09) :3461-+
[6]  
BINDER K, PHASE TRANSITIONS CR, V8
[7]   STATISTICS OF MACROMOLECULAR SOLUTIONS TRAPPED IN SMALL PORES [J].
DAOUD, M ;
DEGENNES, PG .
JOURNAL DE PHYSIQUE, 1977, 38 (01) :85-93
[8]  
de Gennes P.-G., 1979, SCALING CONCEPTS POL
[9]   POLYMERS AT AN INTERFACE - A SIMPLIFIED VIEW [J].
DEGENNES, PG .
ADVANCES IN COLLOID AND INTERFACE SCIENCE, 1987, 27 (3-4) :189-209
[10]   ADSORPTION OF POLYMER-CHAINS AT SURFACES - SCALING AND MONTE-CARLO ANALYSES [J].
EISENRIEGLER, E ;
KREMER, K ;
BINDER, K .
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (12) :6296-6320