原子的固体-流体平衡具有柔软的排斥和短距离的凝聚相互作用
Karl P Travis1, Richard J Sadus2
1Immobilisation Science Laboratory, Department of Materials Science and Engineering, University of Sheffield, Mappin Street, Sheffield S1 3JD, United Kingdom.
The journal of physical chemistry. B
|March 13, 2024
概括
分子模拟显示,化曲线可以在极端压力下在最大温度下合并. 这是由于融化过程中体积发生负变化而发生的,这种现象通常只在水中见到.
科学领域:
- 材料科学 材料科学 材料科学
- 热力学是一种热力学.
- 计算物理 计算物理
背景情况:
- 固体-流体相位平衡是通过在三重点以上的温度和压力下化和结曲线来定义的.
- 在极端条件下,这些相位边界的终结行为仍然是一个未解决的科学问题.
研究的目的:
- 在极端条件下使用分子模拟来研究化的性质和固体-流体相极限的终结.
- 为了确定融化曲线是否表现出一个临界点,一个最大值,一个非对称极限,或者无限持续.
主要方法:
- 利用具有软原子间潜力的分子模拟来建模材料的行为.
- 在高温和高压下分析了密度变化和相位平衡.
主要成果:
- 在高压下化时观察到体积的负变化,这种特征通常只在水中见到.
- 提供了证据,表明化和结曲线可以在化温度的最大点合并.
- 确定这种合并是软原子流体在极大压力下潜在的一般特征.
结论:
- 这项研究表明,在极端压力下,融化曲线可以在最高温度点结束.
- 这种行为与软原子流体融化过程中的异常负体积变化有关.
- 这些发现有助于理解在极端热力学条件下材料的相变.
相关概念视频
Van der Waals Interactions
63.9K
Atoms and molecules interact with each other through intermolecular forces. These electrostatic forces arise from attractive or repulsive interactions between particles with permanent, partial, or temporary charges. The intermolecular forces between neutral atoms and molecules are ion–dipole, dipole–dipole, and dispersion forces, collectively known as van der Waals forces.
63.9K
Intermolecular Forces
58.3K
Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen...
58.3K
Cohesion
54.3K
Cohesion is the attraction between molecules of the same type, such as water molecules. Water molecules have an overall neutral charge but are polar molecule. An oxygen atom in one water molecule has a partial negative charge that can bind to a hydrogen atom with a partial positive charge in a second water molecule, forming a hydrogen bond. Each water molecule can form up to four hydrogen bonds with other water molecules. Hydrogen bonds are responsible for water's cohesive nature.
On a...
On a...
54.3K
Intermolecular Forces and Physical Properties
20.8K
20.8K
Molecular and Ionic Solids
17.1K
Crystalline solids are divided into four types: molecular, ionic, metallic, and covalent network based on the type of constituent units and their interparticle interactions.
Molecular Solids
Molecular crystalline solids, such as ice, sucrose (table sugar), and iodine, are solids that are composed of neutral molecules as their constituent units. These molecules are held together by weak intermolecular forces such as London dispersion forces, dipole-dipole interactions, or hydrogen bonds, which...
Molecular Solids
Molecular crystalline solids, such as ice, sucrose (table sugar), and iodine, are solids that are composed of neutral molecules as their constituent units. These molecules are held together by weak intermolecular forces such as London dispersion forces, dipole-dipole interactions, or hydrogen bonds, which...
17.1K
Intermolecular vs Intramolecular Forces
87.3K
Intermolecular forces (IMF) are electrostatic attractions arising from charge-charge interactions between molecules. The strength of the intermolecular force is influenced by the distance of separation between molecules. The forces significantly affect the interactions in solids and liquids, where the molecules are close together. In gases, IMFs become important only under high-pressure conditions (due to the proximity of gas molecules). Intermolecular forces dictate the physical properties of...
87.3K


