将弗洛里-哈金斯理论扩展到晶体多元组分混合物
Maxime Siber1,2, Olivier J J Ronsin1, Jens Harting1,2,3
1Helmholtz Institute Erlangen-Nürnberg for Renewable Energy, Forschungszentrum Jülich, Fürther Straße 248, 90429 Nürnberg, Germany.
Macromolecules
|March 2, 2026
概括
这项研究将Flory-Huggins理论概括为模拟涉及结晶的混合物中的相分离. 新模型捕捉了无形脱混合和结晶现象之间的相互作用.
科学领域:
- 聚合物科学 聚合物科学
- 材料化学 材料化学
- 物理化学 物理化学
背景情况:
- 弗洛里-哈金斯理论是预测聚合物混合物相位分离的一个关键模型.
- 它仅限于无形混合物,不考虑结晶效应.
- 现有的模型无法捕捉结晶和无形脱混合之间的合.
研究的目的:
- 发展一个通用的弗洛里-哈金斯形式主义.
- 将结晶的物理纳入相位行为预测中.
- 模拟无形脱混合和结晶之间的相互作用.
主要方法:
- 对多元组分混合物的自由能量模型的推导.
- 在最初的弗洛里-哈金斯理论的核心概念基础上构建.
- 详细讨论化学潜力计算的方法.
主要成果:
- 一个新的自由能源模型,包括无形脱混合和结晶.
- 展示模型能够表示多种混合行为的能力.
- 二进制和三进制相位图的例子.
结论:
- 概括模型成功地捕捉了结晶与无形脱混合的合.
- 这一框架扩大了复杂的聚合物混合系统的预测能力.
- 这项研究为了解半晶聚合物混合物的相分离提供了基础.
相关概念视频
Polymer Classification: Crystallinity
4.1K
Unlike ionic or small covalent molecules, polymers do not form crystalline solids due to the diffusion limitations of their long-chain structures. However, polymers contain microscopic crystalline domains separated by amorphous domains.
Crystalline domains are the regions where polymer chains are aligned in an orderly manner and held together in proximity by intermolecular forces. For example, chains in the crystalline domains of polyethylene and nylon are bound together by van der Waals...
Crystalline domains are the regions where polymer chains are aligned in an orderly manner and held together in proximity by intermolecular forces. For example, chains in the crystalline domains of polyethylene and nylon are bound together by van der Waals...
4.1K
Generalized Hooke's Law
2.9K
The generalized Hooke's Law is a broadened version of Hooke's Law, which extends to all types of stress and in every direction. Consider an isotropic material shaped into a cube subjected to multiaxial loading. In this scenario, normal stresses are exerted along the three coordinate axes. As a result of these stresses, the cubic shape deforms into a rectangular parallelepiped. Despite this deformation, the new shape maintains equal sides, and there is a normal strain in the direction of the...
2.9K
Nonideal Two-Component Liquid Solutions
25
Nonideal liquid solutions, also known as real solutions, do not strictly follow Raoult's law. Raoult's law is a rule of thumb in physical chemistry. However, not all mixtures adhere to this law due to varying molecular interactions. For example, in an acetone/chloroform solution, the individual vapor pressures of the components are lower than expected, resulting in a total vapor pressure below that predicted by Raoult's law, causing a negative deviation.On the other hand, in an ethanol/water...
25
Comparing Intermolecular Forces: Melting Point, Boiling Point, and Miscibility
52.4K
Intermolecular forces are attractive forces that exist between molecules. They dictate several bulk properties, such as melting points, boiling points, and solubilities (miscibilities) of substances. Molar mass, molecular shape, and polarity affect the strength of different intermolecular forces, which influence the magnitude of physical properties across a family of molecules.
Temporary attractive forces like dispersion are present in all molecules, whether they are polar or nonpolar. They...
Temporary attractive forces like dispersion are present in all molecules, whether they are polar or nonpolar. They...
52.4K
Crystal Field Theory - Octahedral Complexes
31.3K
Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
31.3K
Recrystallization: Solid–Solution Equilibria
4.2K
Recrystallization is a purification technique used to separate impurities from solid compounds. In this technique, no chemical reactions occur. Instead, it exploits physical properties only, specifically, the solubility differences between the desired compound and impurities, either at a single temperature or at different temperatures, and under other selected conditions. The solid-solution equilibrium (solubility equilibrium) of each component in the solution represents a binary phase...
4.2K


