Cieśla Michał, Dybiec Bartłomiej, Krasowska Monika, Strzelewicz Anna
Institute of Theoretical Physics and Mark Kac Center for Complex Systems Research, Jagiellonian University, St. Łojasiewicza 11, 30-348 Kraków, Poland.
Faculty of Chemistry, Silesian University of Technology, Strzody 9, 44-100 Gliwice, Poland.
Molecules. 2025 May 25;30(11):2316. doi: 10.3390/molecules30112316.
This study examines the diffusion of spherical particles in a conical widening channel, with a focus on the effects of deterministic drift and entropic forces. Through numerical simulations, we analyze the motion of particles from a reflecting boundary to an absorbing one. Properties of diffusive motion are explored by inspection of mean squared displacement and mean first passage time. The results show that the diffusion type depends on the drift strength. Without the drift, entropic forces induce effective superdiffusion; however, the increasing drift strength can counterbalance entropic forces and shift the system to standard diffusion and then effective subdiffusion. The mean squared displacement exhibits bending points for high drift values, as predicted by one-dimensional theoretical considerations. The study underscores the importance of considering deterministic and entropic forces in confined geometries.
本研究考察了球形颗粒在锥形扩宽通道中的扩散,重点关注确定性漂移和熵力的影响。通过数值模拟,我们分析了颗粒从反射边界到吸收边界的运动。通过检查平均平方位移和平均首次通过时间来探索扩散运动的特性。结果表明,扩散类型取决于漂移强度。没有漂移时,熵力会导致有效的超扩散;然而,漂移强度的增加可以抵消熵力,并使系统转变为标准扩散,进而转变为有效的亚扩散。如一维理论考虑所预测的,对于高漂移值,平均平方位移呈现出拐点。该研究强调了在受限几何结构中考虑确定性力和熵力的重要性。