J Phys Condens Matter. 2013 Sep 18;25(37):375104. doi: 10.1088/0953-8984/25/37/375104.
In the real world, diffusion-limited reactions in chemistry and biology mostly occur in crowded environments, such as macromolecular complex formation in the cell. Despite the paramount importance of such phenomena, theoretical approaches still mainly rely on the Smoluchowski theory, only valid in the infinite dilution limit. In this paper we introduce a novel theoretical framework to describe the encounter rate and the stationary density profiles for encounters between an immobilized target and a fluid of interacting spherical particles, valid in the local density approximation. A comparison with numerical simulations performed for a fluid of hard spheres and square well attractive hard spheres confirms the accuracy of our treatment.
在现实世界中,化学和生物学中的扩散限制反应主要发生在拥挤的环境中,例如细胞中的大分子复合物形成。尽管这种现象非常重要,但理论方法仍然主要依赖于仅在无限稀释极限下有效的斯莫鲁霍夫斯基理论。在本文中,我们引入了一种新的理论框架,用于描述固定靶和相互作用的球形粒子流体之间的遭遇率和固定密度分布,这在局部密度近似下是有效的。我们对硬球和方阱有吸引力的硬球流体进行的数值模拟比较证实了我们处理方法的准确性。