Stochastic simulations of micellization kinetics

被引:14
作者
Mavelli, F
Maestro, M
机构
[1] Univ Bari, Dipartmento Chim, I-70126 Bari, Italy
[2] ETH Zentrum, Inst Polymere, CH-8092 Zurich, Switzerland
关键词
D O I
10.1063/1.479729
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 Monte Carlo method introduced by Gillespie (cf. D. T. Gillespie, J. Phys. Chem. 81, 2340 1977), was applied to the kinetics of micelle formation according to a mechanism that allows associations and dissociations among ennamers of whatever aggregation number. A careful choice of thermodynamic and dissociation kinetic constants made it possible to reproduce both equilibrium and kinetic properties of hypothetical surfactant solutions. The results obtained by stochastic simulations are shown and compared to the accepted theory and to the experimental evidence available in literature. (C) 1999 American Institute of Physics. [S0021-9606(99)50833-7].
引用
收藏
页码:4310 / 4318
页数:9
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