Academic Journal
Assessment of hindered diffusion in arbitrary geometries using a multiphase DNS framework
| العنوان: | Assessment of hindered diffusion in arbitrary geometries using a multiphase DNS framework |
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| المؤلفون: | Kannan, A.S., Mark, A., Maggiolo, D., Sardina, G., Sasic, S., Ström, H. |
| سنة النشر: | 2021 |
| المجموعة: | Publikationsdatenbank der Fraunhofer-Gesellschaft |
| Time: | 660 |
| الوصف: | Art. 116074 ; The hydrodynamics around a Brownian particle has a noticeable impact on its hindered diffusion in arbitrary geometries (such as channels/pores) due to reduced mobility close to walls. These effects are difficult to describe at sub-pore scales, wherein a complete analytical solution of the underlying hydrodynamics is challenging to obtain. Here, we propose a coupled Langevin-multiphase direct numerical simulation (DNS) framework, that fully resolves the hydrodynamics in such systems and consequently provides an on-the-fly capability to probe local instantaneous particle diffusivities. We validate and establish the capabilities of this framework in square micro-channels (under varying degrees of hydrodynamic confinement) and in an arbitrary pore. Our results show that directional variations in mean-squared displacements, velocity auto-correlation functions and diffusivities of the Brownian particle, due to inherent asymmetries in the geometry are adequately captured. Further, a local anisotropy in the hydrodynamic resistances along the co-axial direction of the channel is also noted. ; 230 |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | English |
| Relation: | Chemical Engineering Science; https://publica.fraunhofer.de/handle/publica/264974 |
| DOI: | 10.1016/j.ces.2020.116074 |
| الاتاحة: | https://publica.fraunhofer.de/handle/publica/264974 https://doi.org/10.1016/j.ces.2020.116074 |
| رقم الانضمام: | edsbas.6CABFAD9 |
| قاعدة البيانات: | BASE |
| DOI: | 10.1016/j.ces.2020.116074 |
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