Ultrasoft colloids in cavities of oscillating size or sharpness

被引:19
作者
Rex, M
Likos, CN
Löwen, H
Dzubiella, J
机构
[1] Univ Dusseldorf, Inst Theoret Phys 2, D-40225 Dusseldorf, Germany
[2] Univ Calif San Diego, Dept Chem & Biochem, NSF Ctr Theoret Biol Phys, La Jolla, CA 92093 USA
关键词
D O I
10.1080/00268970500460382
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
We employ dynamical density functional theory (DDFT) and Brownian Dynamics (BD) simulations to examine the fully developed dynamics of ultrasoft colloids interacting via a Gaussian pair potential in time-dependent external fields. The DDFT formalism employed is that of Marconi and Tarazona [J. Chem. Phys., 110, 8032 (1999)], which allows for determination of the time-dependent density profile based on knowledge of the static, equilibrium density functional. Three different dynamical situations are examined: firstly, the behaviour of Gaussian particles in a spherical cavity of oscillating size, including both sudden and continuous changes in the size of the cavity. Secondly, a spherical cavity with a fixed size but varying sharpness. Finally, to investigate a strong inhomogeneity in the density profile we study the diffusion of one layer of particles which is initially strongly confined and separated from the remaining system via an external potential. In all cases, DDFT is in excellent agreement with BD results, demonstrating the applicability of the theory to dynamical problems involving overdamped interacting particles in a solvent.
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页码:527 / 540
页数:14
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