论文标题
基于扩展晶格模型的分散多相系统中相变的标准
Criterions of Phase Transitions in Dispersed Multiphase Systems Based on an Extended Lattice Model
论文作者
论文摘要
在生物系统，能源工业和医学科学中，分散多相系统中分散多相系统中的凝聚，吸附和提取是普遍存在的。在这项工作中，新的晶格模型扩展到了基于确定性Δ_i= f_i-k_c的三组分复合系统和标准，因此，我提出建议，我建议根据Helmholtz自由能公式进行预测上述行为。 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和j，虽然熵因子k_c，但我处于决定因素中，取决于液体的局部结构。为了验证理论标准，采用多体耗散粒子动力学（MDPD）来模拟各种多体耗散系统中的相变现象，包括二进制系统中的凝聚，从液相上吸收固体表面的吸附，以及围绕不存在的液态液体互动的提取吸附。模拟结果表明，分散相分布转变对准排参数的显着依赖性δ_i，这表明我们模型分析各种分散的多相系统的巨大潜力。预计该标准将扩展到研究温度和分散粒子形状对这些复杂系统中相变现象的结构效应。
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.
