Monte Carlo simulations and integral equation techniques allow for the flexible and efficient computation of drag and diffusion coefficients for virus mimetic particles. We highlight a Monte Carlo method that is useful for computing the drag on biomimetic particles in the free-molecular regime and a numerical technique to solve a boundary integral equation (related to the Stokes equation) in the hydrodynamic limit. The free-molecular and the continuum results allow the construction of an approximation for the drag applicable over the full range of Knudsen numbers. Finally, we outline how this work will be useful in modeling viral transport in air and fluids and in viral morphology measurements and in viral separations via electrospray-differential mobility analyzers (ES-DMA).

蒙特卡罗模拟和积分方程技术允许灵活有效地计算病毒模拟粒子的阻力和扩散系数。我们重点介绍了一种蒙特卡罗方法，该方法可用于计算自由分子体系中仿生粒子的阻力，以及一种求解流体动力学极限中的边界积分方程（与斯托克斯方程相关）的数值技术。自由分子和连续谱结果允许构建适用于整个 Knudsen 数范围的阻力的近似值。最后，我们概述了这项工作将如何用于模拟空气和流体中的病毒传播、病毒形态测量以及通过电喷雾差分迁移率分析仪 (ES-DMA) 进行的病毒分离。