Modeling of the response of magnetic microgel particles of different structures to an applied magnetic field
DOI:
https://doi.org/10.7242/1999-6691/2026.19.1.9Keywords:
hydrogel, ferrogel, magnetic nanoparticles, coarse-grained molecular dynamics, numerical simulationAbstract
A comprehensive model description of the response of magnetopolymer systems to external stimuli that is usually unfeasible in experimental studies is an urgent problem from the viewpoint of potential applications in biomedicine.
The response of hydrogels with magnetic inclusions - ferrogels - to an external magnetic field is of a complex magnetic, structural, and mechanical character determined by competing interactions between the components. Therefore it is necessary to provide the desired level of detalization in the selection of a research method .
To describe this response by the coarse-grained molecular dynamics method it is suggested to implement the model of a single microgel particle, containing uniformly distributed magnetic nanoparticles, or nanopaerticles organized as core-shell structures.
A procedure for particles assembly and bonding is proposed, and the values of the model parameters are determined. They are used to describe the structure, which is typical for magnetic gels - a cross-linked polymer matrix-carrier containing a significant volume of solvent and chemically embedded nanoparticles.
It is demonstrated that by varying the number of elastic bonds between model elements and their stiffness one can reproduce the properties of different magnetopolymer systems: from a weakly cross-linked hydrogel precursor to a rigid composite particle.
The influence of the magnetic filler parameters and the form of its spatial distribution in the microgel particle on the ground state of the examined object is investigated in the absence of an external magnetic field and under magnetization.
It has been shown that non-uniformities of the concentration of magnetic nanoparticles in the microgel in the form of a magnetic core or shell can influence magnetization, cluster formation, and volume changes in the hydrogel matrix.
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