Thermophoresis and thermal orientation of Janus nanoparticles in thermal fields
| Autor: | Fernando Bresme, Juan D. Olarte-Plata, Aidan Chapman, Pablo Albella, Calum Green |
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| Přispěvatelé: | The Leverhulme Trust, Universidad de Cantabria |
| Jazyk: | angličtina |
| Rok vydání: | 2022 |
| Předmět: |
Technology
Fluids & Plasmas Materials Science Biophysics Polymer Science Materials Science Multidisciplinary Multifunctional Nanoparticles Molecular Dynamics Simulation Physics Applied Motion WATER General Materials Science 01 Mathematical Sciences Science & Technology 02 Physical Sciences Chemistry Physical Physics Temperature Surfaces and Interfaces General Chemistry DIFFUSION SIMULATIONS Chemistry Physical Sciences Nanoparticles BEHAVIOR Biotechnology |
| Zdroj: | European Physical Journal E, 2022, 45, 59 |
| Popis: | Thermal fields provide a route to control the motion of nanoparticles and molecules and potentially modify the behaviour of soft matter systems. Janus nanoparticles have emerged as versatile building blocks for the self-assembly of materials with novel properties. Here we investigate using non-equilibrium molecular dynamics simulations the behaviour of coarse-grained models of Janus nanoparticles under thermal fields. We examine the role of the heterogeneous structure of the particle on the Soret coefficient and thermal orientation by studying particles with different internal structures, mass distribution, and particle-solvent interactions. We also examine the thermophoretic response with temperature, targeting liquid and supercritical states and near-critical conditions. We find evidence for a significant enhancement of the Soret coefficient near the critical point, leading to the complete alignment of a Janus particle in the thermal field. This behaviour can be modelled and rationalized using a theory that describes the thermal orientation with the nanoparticle Soret coefficient, the mass and interaction anisotropy of the Janus nanoparticle, and the thermal field's strength. Our simulations show that the mass anisotropy plays a crucial role in driving the thermal orientation of the Janus nanoparticles. We acknowledge the UK Leverhulme Trust (Grant No. RPG-2018-384), the Spanish national project No.PGC2018-096649-B-I for financial support, the Imperial College High Performance Computing Service for computational resources, and the UK Materials and Molecular Modelling Hub for computational resources partially funded by the EPSRC UK (EP/P020194/1 and EP/T022213/1). PA acknowledges funding for a Ramon y Cajal Fellowship (Grant No., RYC-2016-20831). |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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