A MATLAB program to calculate translational and rotational diffusion coefficients of a single particle

Abstract
We developed a graphical user interface, MATLAB based program to calculate the translational diffusion coefficients in three dimensions for a single diffusing particle, suspended inside a fluid. When the particles are not spherical, in addition to their translational motion also a rotational freedom is considered for them and in addition to the previous translational diffusion coefficients a planar rotational diffusion coefficient can be calculated in this program. Time averaging and ensemble...

Title of program: KOJA
Catalogue Id: AEHK_v1_0

Nature of problem
In many areas of physics, knowing diffusion coefficients is vital and gives useful information about the physical properties of diffusive particles and the environment. In many cases a diffusive particle is not a sphere and has rotation during its movements. In these cases information about a particle's trajectory both in lab and body frame would be useful. Also some statistical analysis is needed to obtain more information about a particle's motion.

Versions of this program held in the CPC repository in Mendeley Data
AEHK_v1_0; KOJA; 10.1016/j.cpc.2010.09.017

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

摘要
本团队开发了一款基于 MATLAB 的图形用户界面程序，旨在计算三维空间中单个悬浮于流体中的扩散粒子的平移扩散系数。当粒子非球形时，除了考虑其平移运动外，还需考虑其旋转自由度，因此在此程序中，除计算先前所述的平移扩散系数外，还可计算出平面旋转扩散系数。此外，该程序还涉及时间平均和集合分析等统计方法...
程序名称：KOJA
目录编号：AEHK_v1_0
问题性质
在物理学的许多领域，了解扩散系数至关重要，它能够提供有关扩散粒子及其环境的物理性质的有用信息。在许多情况下，扩散粒子并非球形，且在运动过程中存在旋转。在这些情况下，了解粒子在实验室和身体坐标系中的轨迹信息将十分有益。此外，还需进行一些统计分析，以获取更多关于粒子运动的信息。
此程序的不同版本存放在 CPC 存储库中的 Mendeley 数据
AEHK_v1_0; KOJA; 10.1016/j.cpc.2010.09.017
该程序已从贝尔法斯特女王大学（1969-2018）持有的 CPC 程序库中导入。