溶剂诱导的离子集群在高离子强度下产生长距离的双层力
David Ribar1, Clifford E Woodward2, Jan Forsman1
1Computational Chemistry, Lund University, P.O. Box 124, S-221 00 Lund, Sweden. jan.forsman@compchem.lu.se.
Soft matter
|June 23, 2025
概括
电解质中的异常下被修改的受限制原始模型 (RPM) 解释. 添加短距离电位揭示了离子聚类和改变的静电相互作用,匹配实验表面力装置 (SFA) 数据.
科学领域:
- 物理化学 物理化学
- 合体和表面科学科学
- 计算化学计算化学
背景情况:
- 表面力装置 (SFA) 实验揭示了电解质的异常下,偏离了既定的理论.
- 异常的下面屏显示,随着盐度超过值 (约. 1 M) 的时间.
研究的目的:
- 在理论上研究使用扩展限制原始模型 (RPM) 的异常底.
- 为了结合平均力 (sPMF) 的短距离对潜力,以模拟离子水化变化.
- 将模拟结果与实验SFA数据进行比较.
主要方法:
- 利用了一个扩展的受限制原始模型 (RPM),添加了平均力 (sPMF) 的短距离对潜力.
- 采用大规范模拟来预测表面力.
- 调整sPMF强度以实现现实的和度 (1:1盐的4-7M).
主要成果:
- 模拟模型显示了1M盐度以上的显著离子聚合.
- 观察到相当大的双层排斥力超过标准的RPM预测.
- 选长度以高值和,而不是随着度的增加而增加.
- 长距离相互作用与离子集群形成和集群-集群相互作用相关.
结论:
- 用sPMF修改的RPM成功解释了异常的底和实验SFA数据.
- 离子聚类和相关的硬体相互作用对于理解缩电解质的长距离静电行为至关重要.
- 该模型提供了对水合,聚类和静电力的复杂相互作用的见解.
相关概念视频
Intermolecular Forces
61.4K
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...
61.4K
Intermolecular Forces in Solutions
34.9K
The formation of a solution is an example of a spontaneous process, a process that occurs under specified conditions without energy from some external source.
When the strengths of the intermolecular forces of attraction between solute and solvent species in a solution are no different than those present in the separated components, the solution is formed with no accompanying energy change. Such a solution is called an ideal solution. A mixture of ideal gases (or gases such as helium and argon,...
When the strengths of the intermolecular forces of attraction between solute and solvent species in a solution are no different than those present in the separated components, the solution is formed with no accompanying energy change. Such a solution is called an ideal solution. A mixture of ideal gases (or gases such as helium and argon,...
34.9K
Aqueous Solutions and Heats of Hydration
15.1K
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...
15.1K
Ionic Strength: Overview
1.8K
The ionic strength of a solution is a quantitative way of expressing the total electrolyte concentration of a solution. This concept was first introduced in 1921 by two American physical chemists, Gilbert N. Lewis and Merle Randall, while describing the activity coefficient of strong electrolytes. During the calculation of ionic strength (I or μ), all the cations and anions are considered. However, the concentration (c) of an ion with a greater charge number (z) has a greater contribution...
1.8K
Molecular and Ionic Solids
17.9K
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...
17.9K
Van der Waals Interactions
66.8K
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.
66.8K


