A dissipative particle dynamics (DPD) model is developed and demonstrated for studying dynamics in colloidal rod suspensions. The solvent is modeled as conventional DPD particles, while individual rods are represented by a rigid linear chain consisting of overlapping solid spheres, which interact with solvent particles through a hard repulsive potential. The boundary condition on the rod surface is controlled using a surface friction between the solid spheres and the solvent particles. In this work, this model is employed to study the diffusion of a single colloid in the DPD solvent and compared with theoretical predictions. Both the translational and rotational diffusion coefficients obtained at a proper surface friction show good agreement with calculations based on the rod size defined by the hard repulsive potential. In addition, the system-size dependence of the diffusion coefficients shows that the Navier-Stokes hydrodynamic interactions are correctly included in this DPD model. Comparing our results with experimental measurements of the diffusion coefficients of gold nanorods, we discuss the ability of the model to correctly describe dynamics in real nanorod suspensions. Our results provide a clear reference point from which the model could be extended to enable the study of colloid dynamics in more complex situations or for other types of particles.
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http://dx.doi.org/10.1063/5.0041285 | DOI Listing |
J Biophotonics
January 2025
Department of Emergency, State Key Laboratory of Complex Severe and Rare Diseases, Peking Union Medical College Hospital, Chinese Academy of Medical Science and Peking Union Medical College, Beijing, China.
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View Article and Find Full Text PDFSci Rep
January 2025
School of Engineering, Westlake University, Hangzhou, Zhejiang, China.
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January 2025
Research Laboratory of Electronics, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States.
Understanding energy transport in semiconductors is critical for the design of electronic and optoelectronic devices. Semiconductor material properties, such as charge carrier mobility or diffusion length, are commonly measured in bulk crystals and determined using models that describe transport behavior in homogeneous media, where structural boundary effects are minimal. However, most emerging semiconductors exhibit nano- and microscale heterogeneity.
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Ocean Environment Institute, Oceanic Consulting and Trading, Seoul, Republic of Korea.
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View Article and Find Full Text PDFJ Phys Chem B
January 2025
College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123, China.
Reline, which is composed of choline chloride and urea in a molar ratio of 1:2, is the first and most extensively studied deep eutectic solvent (DES). In certain applications, reline is blended with organic solvents, dimethyl sulfoxide (DMSO) in most cases, to gain improved properties. Therefore, it is crucial to have a profound understanding of the impact of DMSO on the dynamics and structures of the species in the binary mixtures.
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