论文标题
Langevin动力学的分子理论,用于主动自扩张胶体
Molecular theory of Langevin dynamics for active self-diffusiophoretic colloids
论文作者
论文摘要
Langevin方程通常描述了由自我噬菌学机制推动的活性胶体颗粒,这些方程是根据物理理由假定的,要么是使用波动流体动力学的方法得出的。尽管这些描述适用于微米和较大尺寸的胶体,但它们将分解为非常小的活性颗粒。本文给出了由胶体不对称催化的化学反应驱动的自扩张性颗粒的Langevin方程的完全显微镜推导。该推导提供了微观表达式的转移和旋转摩擦张量以及兰格文方程中出现的反应速率系数。扩散力和扭矩以满足广义传输方程的流体场平均值表示。结果提供了对小尺度上的主动运动的描述,其中描述在粗粒的连续流体方程与边界条件相结合,这些条件可能是不合适的。
Active colloidal particles that are propelled by a self-diffusiophoretic mechanism are often described by Langevin equations that are either postulated on physical grounds or derived using the methods of fluctuating hydrodynamics. While these descriptions are appropriate for colloids of micrometric and larger size, they will break down for very small active particles. A fully microscopic derivation of Langevin equations for self-diffusiophoretic particles powered by chemical reactions catalyzed asymmetrically by the colloid is given in this paper. The derivation provides microscopic expressions for the translational and rotational friction tensors, as well as reaction rate coefficients appearing in the Langevin equations. The diffusiophoretic force and torque are expressed in terms of nonequilibrium averages of fluid fields that satisfy generalized transport equations. The results provide a description of active motion on small scales where descriptions in terms of coarse grained continuum fluid equations combined with boundary conditions that account for the presence of the colloid may not be appropriate.