Quantum-chemical simulation and experimental study of some magnetic nanoparticles stabilized in fluid suspensions by using organic coating

Abstract

The biomedical applications of magnetic nanoparticles require the surface modification with organic, hydrophilic molecules, able to ensure the stability of the resulted colloidal suspensions. We present the quantum mechanical approach of two molecules developing stable interfaces with magnetic Co_0.5Fe_2.5O₄ nanoparticles. Sodium oleate, and citric acid, ensuring steric and respectively electrostatic stabilization are comparatively analyzed. The roles of dipole moment and frontier orbitals energies were emphasized to better understanding of some interface phenomena for the optimization of magnetic nanoparticle suspension preparation. Further, practical yielding of colloidal Co_0.5Fe_2.5O₄ nanoparticles by coating with sodium oleate and respectively with citric acid is discussed.

Keywords:

• Citric acid
• magnetic nanoparticles
• quantum chemical modeling
• sodium oleate
• suspension stabilization

Additional information

Funding

This research was supported by Romanian project POCU/380/6/13/123623 “PhD students and postdoctoral researchers trained for labor market.”