Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/111329
Title: Behaviour of a Magnetic Nanogel in a Shear Flow
Authors: Novikau, I. S.
Novak, E. V.
Pyanzina, E. S.
Kantorovich, S. S.
Issue Date: 2022
Publisher: Elsevier B.V.
Elsevier BV
Citation: Behaviour of a Magnetic Nanogel in a Shear Flow / I. S. Novikau, E. V. Novak, E. S. Pyanzina et al. — DOI 10.21538/0134-4889-2020-26-4-7-31 // Journal of Molecular Liquids. — 2022. — Vol. 346. — 118056.
Abstract: Magnetic nanogels (MNG) – soft colloids made of polymer matrix with embedded in it magnetic nanoparticles (MNPs) – are promising magneto-controllable drug carriers. In order to develop this potential, one needs to clearly understand the relationship between nanogel magnetic properties and its behaviour in a hydrodynamic flow. Considering the size of the MNG and typical time and velocity scales involved in their nanofluidics, experimental characterisation of the system is challenging. In this work, we perform molecular dynamics (MD) simulations combined with the Lattice-Boltzmann (LB) scheme aiming at describing the impact of the shear rate (γ̇) on the shape, magnetic structure and motion of an MNG. We find that in a shear flow the centre of mass of an MNG tends to be in the centre of a channel and to move preserving the distance to both walls. The MNG monomers along with translation are involved in two more types of motion, they rotate around the centre of mass and oscillate with respect to the latter. It results in synchronised tumbling and wobbling of the whole MNG accompanied by its volume oscillates. The fact the an MNG is a highly compressible and permeable for the carrier liquid object makes its behaviour different from that predicted by classical Taylor-type models. We show that the frequency of volume oscillations and rotations are identical and are growing function of the shear rate. We find that the stronger magnetic interactions in the MNG are, the higher is the frequency of this complex oscillatory motion, and the lower is its amplitude. Finally, we show that the oscillations of the volume lead to the periodic changes in MNG magnetic energy. © 2021 Elsevier B.V.
Keywords: LATTICE-BOLTZMANN
MAGNETIC NANOGEL
MOLECULAR DYNAMICS
SHEAR FLOW
DRUG DELIVERY
NANOFLUIDICS
NANOMAGNETICS
NANOSTRUCTURED MATERIALS
SHEAR DEFORMATION
CENTERS-OF-MASS
HYDRODYNAMIC FLOWS
NANOGELS
POLYMER MATRICES
SHEAR-RATE
SOFT COLLOIDS
TIME-SCALES
VELOCITY SCALE
URI: http://hdl.handle.net/10995/111329
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 85121103474
PURE ID: 29142306
ISSN: 0167-7322
DOI: 10.21538/0134-4889-2020-26-4-7-31
metadata.dc.description.sponsorship: This research has been supported by the Russian Science Foundation Grant No.19-12-00209. Computer simulations were performed at the Vienna Scientific Cluster (VSC). I.S.N. and S.S.K. are grateful to Vienna Doctoral School Physics, Doctoral College DCAMF and were partially supported by FWF Project SAM P 33748. The authors thank Pedro S. Sánchez and Dr. Rudolf Weeber for fruitful discussions and useful recommendations.
RSCF project card: 19-12-00209
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

Files in This Item:
File Description SizeFormat 
2-s2.0-85121103474.pdf8,81 MBAdobe PDFView/Open


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.