Monte Carlo Simulation For The Growth Behavior Of Particles In The Liquid Phase

Precipitation-growth process in the supersaturated liquid was simulated by the Monte Carlo method. During the simulation, the simulation rules were established to simulate the micro-processes of solute diffusion, solute precipitation, and particle dissolution. The critical nucleus, and the relation between critical nucleus size and liquid concentration, were both considered for analyzing the simulation data. The simulation results show that the liquid concentration and supersaturation ratio underwent the sequence of rapid decrease, and slow decrease up to equilibrium with prolonging the simulation time. The lower equilibrium concentration and the longer time to attain equilibrium were represented by raising the simulation temperature. Increasing the simulation temperature also caused the more aggregation and precipitation of solutes and the larger precipitation area. The Ostwald ripening growth occurred during prolonging the simulation time, in which the average precipitated particle radius increased parabolically. The particle growth was enhanced by raising the simulation temperature. The particle growth exponents of0.320-0.332had only a tiny fluctuation when changing the simulation temperature. The simulation results were consistent with the temperature-decreasing and time-prolonging experiments for the NiFe2O4-KCl molten salt system and SrMoO4supersaturated solution, and the Ostwald ripening theory based on diffusion-controlled kinetics.The Ostwald ripening growth behaviors under diffusion-controlled and interface reaction controlled mechanisms respectively had been simulated by using the Monte Carlo method. The critical nucleus was introduced in order to distinguish the solute grid points and particles grid by correlating the liquid concentration and the critical nucleation size. The connection of the boundary energy and the solid-liquid interface structure was made by the introduction of the boundary energy during the simulation process. As a result, the simulation rules of particle grew up under the control mechanism of diffusion-controlled interfacial reaction-controlled liquid phase sintering can be established. Simulation results showed that the particle growth index did not change significantly with the liquid volume fraction and simulation conditions such as simulation temperature under the control of diffusion mechanism, and the values of particle growth exponent both were close to1/3controlled by diffusion mechanism under prediction of the theory of particle growth. However, the growth index of the particles did not change significantly with the liquid volume fraction and simulation temperature under the control of the interfacial reactions in the liquid phase which the values of particle growth exponent both were close to1/2controlled by the interfacial reaction mechanism. The adjacent solid, liquid lattice state exchange of the simulation event occurrence increased by the increase of the liquid volume fraction. Meanwhile, And the Boltzman probability of the particle dissolution, solute diffusion, the solute precipitates simulation event occurs were improved by the increase of simulation temperature. These were in accordance with the promotion of the particles growth by means of increasing the liquid content or temperature.