介面分子结构对 mesopores 中压力驱动的盐水流的影响
Lian Duan1, Mingshan Zhang2, Yiling Nan3
1School of Mining and Petroleum Engineering, Department of Civil and Environmental Engineering, University of Alberta, Edmonton, AB T6G 1H9, Canada.
Langmuir : the ACS journal of surfaces and colloids
|September 5, 2023
概括
分子动力学模拟揭示了表面电荷如何影响二氧化中水流. 水和离子相互作用,形成不同的流域,影响流体的流动性和粘度.
科学领域:
- 地质化学 地质化学
- 物理化学 物理化学
- 材料科学 材料科学 材料科学
背景情况:
- 了解多孔介质中的流体流动对于地下应用至关重要.
- 介质孔在地质构造和工程材料中都很重要.
- 接口现象在纳米尺度上显著影响流体行为.
研究的目的:
- 用分子动力学来研究在二氧化中压力驱动的盐水流.
- 阐明表面化学 (无化与有化二氧化) 在盐水流中的作用.
- 了解水界结构和离子水化对流体流动性的影响.
主要方法:
- 进行了分子动力学 (MD) 模拟.
- 模拟模拟了水库条件 (323 K,20 MPa).
- 分析了盐水流动行为,水的结构和介质孔内的离子相互作用.
主要成果:
- 完全脱质的二氧化表面显示出强烈的对电离子积累和多层水结构.
- 盐水流在去质子化中孔中表现出吸附,过渡和散装类区域.
- 表面结和离子水合显著降低了水的流动性,增加了盐水粘度.
结论:
- 表面化学决定了水的界面结构和离子行为,控制了盐水的流动.
- 离子水化是阻碍水流的关键因素,即使没有表面结合,也会阻碍水流.
- 这项研究提供了分子层面的洞察力,了解化中液流量,这与水库工程有关.
相关概念视频
Osmosis and Osmotic Pressure of Solutions
40.3K
A number of natural and synthetic materials exhibit selective permeation, meaning that only molecules or ions of a certain size, shape, polarity, charge, and so forth, are capable of passing through (permeating) the material. Biological cell membranes provide elegant examples of selective permeation in nature, while dialysis tubing used to remove metabolic wastes from blood is a more simplistic technological example. Regardless of how they may be fabricated, these materials are generally...
40.3K
Intermolecular Forces and Physical Properties
20.9K
20.9K
Comparing Intermolecular Forces: Melting Point, Boiling Point, and Miscibility
44.5K
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...
44.5K
Entropy and Solvation
7.1K
The process of surrounding a solute with solvent is called solvation. It involves evenly distributing the solute within the solvent. The rule of thumb for determining a solvent for a given compound is that like dissolves like. A good solvent has molecular characteristics similar to those of the compound to be dissolved. For example, polar solutions dissolve polar solutes, and apolar solvents dissolve apolar solutes. A polar solvent is a solvent that has a high dielectric constant (ϵ...
7.1K
Intermolecular Forces in Solutions
34.0K
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,...
34.0K
Theories of Dissolution: The Danckwerts' Model and Interfacial Barrier Model
342
Various dissolution theories provide insight into the factors that influence the dissolution rate. Danckwerts' Model suggests that turbulence, rather than a stagnant layer, characterizes the dissolution medium at the solid-liquid interface. In this model, the agitated solvent contains macroscopic packets that move to the interface via eddy currents, facilitating the absorption and delivery of the drug to the bulk solution. The regular replenishment of solvent packets maintains the...
342


