固体二元离子混合物的静电能量
1<a href="https://ror.org/05dkdaa55">Ioffe Institute</a>, Politekhnicheskaya 26, Saint Petersburg 194021, Russia.
Physical review. E
|November 20, 2024
概括
本研究计算了二元离子混合物 (BIM) 在有序库伦晶体中的静电能量,为这些复杂系统提供了统一的方程. 这些发现有助于理解多元组件等离子体和先进材料应用.
科学领域:
- 凝聚物质物理学 凝聚物质物理学
- 等离子体物理学的物理学
- 材料科学 材料科学 材料科学
背景情况:
- 二元离子混合物 (BIM) 形成库伦晶体,对于理解密集物质至关重要.
- 有序的晶体结构对于预测材料性质至关重要.
研究的目的:
- 准确计算各种二进制bcc类格子的静电能量.
- 开发一个统一的方程,近似这些能量.
- 将结果与现有的文献和线性混合规则近似值进行比较.
主要方法:
- 考虑了15个不同的二进制bcc类格子.
- 精确计算每个格子的静电能量.
- 开发和应用一个统一的近似方程.
主要成果:
- 精确的静电能量被计算为15个二进制bcc-like格子.
- 为了近似这些能量,我们得出了一个统一的方程.
- 结果与之前的研究进行了比较,包括线性混合规则近似值.
结论:
- 该研究提供了一套全面的静电能量为BIMs在有序的库伦晶体.
- 统一方程为近似这些能量提供了一个有价值的工具.
- 这些发现适用于天体物理等离子体,实验室等离子体和技术应用.
相关概念视频
Molecular and Ionic Solids
16.9K
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...
16.9K
Trends in Lattice Energy: Ion Size and Charge
23.7K
An ionic compound is stable because of the electrostatic attraction between its positive and negative ions. The lattice energy of a compound is a measure of the strength of this attraction. The lattice energy (ΔHlattice) of an ionic compound is defined as the energy required to separate one mole of the solid into its component gaseous ions. For the ionic solid sodium chloride, the lattice energy is the enthalpy change of the process:
23.7K
Intermolecular Forces
57.7K
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...
57.7K
Ionic Bonding and Electron Transfer
41.2K
Ions are atoms or molecules bearing an electrical charge. A cation (a positive ion) forms when a neutral atom loses one or more electrons from its valence shell, and an anion (a negative ion) forms when a neutral atom gains one or more electrons in its valence shell. Compounds composed of ions are called ionic compounds (or salts), and their constituent ions are held together by ionic bonds: electrostatic forces of attraction between oppositely charged cations and anions.
41.2K
Aqueous Solutions and Heats of Hydration
14.4K
Water and other polar molecules are attracted to ions. The electrostatic attraction between an ion and a molecule with a dipole is called an ion-dipole attraction. These attractions play an important role in the dissolution of ionic compounds in water.
When ionic compounds dissolve in water, the ions in the solid separate and disperse uniformly throughout the solution because water molecules surround and solvate the ions, reducing the strong electrostatic forces between them. This process...
When ionic compounds dissolve in water, the ions in the solid separate and disperse uniformly throughout the solution because water molecules surround and solvate the ions, reducing the strong electrostatic forces between them. This process...
14.4K
Ionic Bonds
118.0K
Overview
When atoms gain or lose electrons to achieve a more stable electron configuration they form ions. Ionic bonds are electrostatic attractions between ions with opposite charges. Ionic compounds are rigid and brittle when solid and may dissociate into their constituent ions in water. Covalent compounds, by contrast, remain intact unless a chemical reaction breaks them.
Opposing Charges Hold Ions Together in Ionic Compounds
Ionic bonds are reversible electrostatic interactions between ions...
When atoms gain or lose electrons to achieve a more stable electron configuration they form ions. Ionic bonds are electrostatic attractions between ions with opposite charges. Ionic compounds are rigid and brittle when solid and may dissociate into their constituent ions in water. Covalent compounds, by contrast, remain intact unless a chemical reaction breaks them.
Opposing Charges Hold Ions Together in Ionic Compounds
Ionic bonds are reversible electrostatic interactions between ions...
118.0K


