Rapid calculation of maximum particle lifetime for diffusion in complex geometries

E. Carr, M. Simpson
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引用次数: 3

Abstract

Diffusion of molecules within biological cells and tissues is strongly influenced by crowding. A key quantity to characterize diffusion is the particle lifetime, which is the time taken for a diffusing particle to exit by hitting an absorbing boundary. Calculating the particle lifetime provides valuable information, for example, by allowing us to compare the timescale of diffusion and the timescale of reaction, thereby helping us to develop appropriate mathematical models. Previous methods to quantify particle lifetimes focus on the mean particle lifetime. Here, we take a different approach and present a simple, rapid, simulation-free method for calculating the maximum particle lifetime. This is the time after which only a small specified proportion of particles in an ensemble remain in the system. Our approach produces accurate estimates of the maximum particle lifetime, whereas the mean particle lifetime always underestimates this value compared with data from stochastic simulations. Furthermore, we find that differences between the mean and maximum particle lifetimes become increasingly important when considering diffusion hindered by obstacles.
在复杂几何中扩散的最大粒子寿命的快速计算
生物细胞和组织内分子的扩散受到拥挤的强烈影响。表征扩散的一个关键量是粒子寿命,它是扩散粒子通过撞击吸收边界而退出所花费的时间。计算粒子寿命提供了有价值的信息,例如,通过使我们能够比较扩散的时间尺度和反应的时间尺度,从而帮助我们建立适当的数学模型。以往量化粒子寿命的方法主要集中在粒子平均寿命上。在这里,我们采用不同的方法,并提出了一种简单,快速,无模拟的方法来计算最大粒子寿命。这是一段时间之后,在一个系综中只有一小部分特定比例的粒子留在系统中。我们的方法产生了最大粒子寿命的准确估计,而与随机模拟的数据相比,平均粒子寿命总是低估了这个值。此外,我们发现,当考虑障碍物阻碍扩散时,平均和最大粒子寿命之间的差异变得越来越重要。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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