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首页> 外文期刊>The Journal of Chemical Physics >Interfacial colloidal rod dynamics: Coefficients, simulations, and analysis
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Interfacial colloidal rod dynamics: Coefficients, simulations, and analysis

机译:界面胶体棒动力学:系数,仿真和分析

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摘要

Colloidal rod diffusion near a wall is modeled and simulated based on a constrained Stokesian dynamic model of chains-of-spheres. By modeling colloidal rods as chains-of-spheres, complete diffusion tensors are computed for colloidal rods in bulk media and near interfaces, including hydrodynamic interactions, translation-rotation coupling, and all diffusion modes in the particle and lab frames. Simulated trajectories based on the chain-of-spheres diffusion tensor are quantified in terms of typical experimental quantities such as mean squared positional and angular displacements as well as autocorrelation functions. Theoretical expressions are reported to predict measured average diffusivities as well as the crossover from short-time anisotropic translational diffusion along the rod's major axis to isotropic diffusion. Diffusion modes are quantified in terms of closed form empirical fits to model results to aid their use in interpretation and prediction of experiments involving colloidal rod diffusion in interfacial and confined systems. Published by AIP Publishing.
机译:基于受限制的球体动态模型,建模和模拟壁附近的胶体棒扩散。通过将胶体棒建模作为球体,可以为散装介质和近界面的胶体棒计算完整的扩散张量,包括流体动力相互作用,转换旋转耦合和颗粒和实验室框架中的所有扩散模式。基于球链扩散张量的模拟轨迹在典型的实验量(例如平均平均位置和角位移)和自相关函数方面都是量化的。据报道,理论表达预测测量的平均漫射性以及沿杆的主要轴线与各向同性扩散的短时间各向异性平移扩散的交叉。在闭合形式的经验拟合方面对扩散模式进行量化,以便在涉及界面和狭窄系统中的胶体棒扩散的解释和预测中的应用。通过AIP发布发布。

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