Criterions of Phase Transitions in Dispersed Multiphase Systems Based on an Extended Lattice Model

TL;DR

This paper introduces an extended lattice model with specific criteria to predict phase transition behaviors in complex three-component dispersed multiphase systems, validated through simulations of various phenomena.

Contribution

The authors develop a novel lattice model with determinant-based criteria for phase transitions in three-component systems, extending previous models and validated by many-body dissipative particle dynamics simulations.

Findings

Phase transition criteria successfully predict agglomeration, adsorption, and extraction behaviors.

Simulation results confirm the dependence of phase transitions on quasi-order parameters.

Model shows potential for analyzing temperature and shape effects in complex systems.

Abstract

Agglomeration, adsorption, and extraction in dispersed multiphase systems are ubiquitously encountered in biological systems, energy industry, and medical science. In this work, a novel lattice model is extended to the three-component complex systems and criterions based on the determinant \Delta_i=F_i-K_c,i are accordingly proposed to predict the aforementioned behaviors based on a Helmholtz free energy formulation. Here, three characteristic factors F_i's are introduced to describe the internal energy effect, i.e.,F_1=A^11+A^22-2A^12 (agglomeration), F_2=A^22+A^13-A^12-A^23 (adsorption) and F_3=A^22+2A^13-A^33-2A^12 (extraction), where A_ij denotes the conservative potential coefficient between liquid particles in phase i and j, while the entropy factors K_c,i's in the determinants depend on the local structure of the liquid. To verify the theoretical criterions, many-body dissipative particle dynamics (mDPD) are employed to simulate the phase transition phenomena in various many-body dissipative systems, including agglomeration in a binary system, adsorption on solid surfaces from the liquid phase, and extraction-adsorption around an immiscible liquid-liquid interface. The simulation results show the notable dependence of the dispersed phase distribution transition on the quasi-order parameters \Delta_i's, which indicates the great potential of our model to analyzing various dispersed multiphase systems. The criterions are expected to be extended to study the structure effect induced by the temperature and dispersed particle shape on the phase transition phenomena in those complex systems.