Crystal Nucleation Modeling of Solvent Molecules Influence on Radius and Morphology of Nano Copper Ferrite Particles

TL;DR

This paper models how solvent, temperature, and cooling influence the size and shape of nano copper ferrite particles, using crystallization analysis and Monte Carlo simulations.

Contribution

It introduces a nucleation model for copper ferrite nanoparticle synthesis considering solvent effects and reaction conditions, validated by Monte Carlo simulations.

Findings

Solvent type significantly affects particle size and morphology.

Reaction temperature influences nucleation rate and particle agglomeration.

Cooling time impacts nanoparticle size distribution.

Abstract

Nanometer copper ferrite, as a kind of nanometer particle with catalytic activity, and its photothermal and magnetothermal effects as ferrite, can be widely used in different fields. It is a general way to obtain the nano effect of the target by controlling the particle size. In this paper, the crystallization process of hydrothermal/solvothermal synthesis was analyzed, and the nucleation model was established to simulate the effects of solvent, reaction temperature and cooling time on the particle size of copper ferrite nanoparticles. Through Monte Carlo method and energy function, the ratio of nano particle agglomeration was established, and the influence of different reaction conditions on it was discussed.