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arXiv · 2210.05088

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

Yiran Li·Yunfan Huang·Xukang Lu·Moran Wang
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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 Δ_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 Δ_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.

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Yiran Li, Yunfan Huang, Xukang Lu, Moran Wang. 2022-10-11. Criterions of Phase Transitions in Dispersed Multiphase Systems Based on an Extended Lattice Model. https://arxiv.org/abs/2210.05088

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