2002
DOI: 10.1021/ja026014h
|View full text |Cite
|
Sign up to set email alerts
|

How Ions Affect the Structure of Water

Abstract: We model ion solvation in water. We use the MB model of water, a simple two-dimensional statistical mechanical model in which waters are represented as Lennard-Jones disks having Gaussian hydrogen-bonding arms. We introduce a charge dipole into MB waters. We perform (NPT) Monte Carlo simulations to explore how water molecules are organized around ions and around nonpolar solutes in salt solutions. The model gives good qualitative agreement with experiments, including Jones-Dole viscosity B coefficients, Samoil… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
2
1
1

Citation Types

39
689
0
3

Year Published

2006
2006
2020
2020

Publication Types

Select...
7
3

Relationship

1
9

Authors

Journals

citations
Cited by 721 publications
(731 citation statements)
references
References 64 publications
39
689
0
3
Order By: Relevance
“…4,5 By contrast, the presence of a sodium cation fosters surrounding water molecules being directed toward the solvated cation. 6,7 In other words, the presence of a sodium ion alters the orientations of surrounding water molecules. Then, the rate with which water molecules surrounding a solvated sodium cation reorient is comparable to that with which a cation moves.…”
Section: Resultsmentioning
confidence: 99%
“…4,5 By contrast, the presence of a sodium cation fosters surrounding water molecules being directed toward the solvated cation. 6,7 In other words, the presence of a sodium ion alters the orientations of surrounding water molecules. Then, the rate with which water molecules surrounding a solvated sodium cation reorient is comparable to that with which a cation moves.…”
Section: Resultsmentioning
confidence: 99%
“…As explained above, in a coarsegrained theory one averages over length-scales of the order of the ionic size, which is also the characteristic length-scale of the ionic specific potential, V ± [18,22]. In the future, it will be of merit to calculate from the ionic profiles, other macroscopic quantities (beside the surface tension), such as the differential capacitance [33], the solution dielectric constant [34] and the solution viscosity [35]. We elaborate here on the general formalism for calculating the electrostatic potential to one-loop order.…”
mentioning
confidence: 99%
“…3 Despite substantial progress made in the past, what exactly is the internal structure of water in these situations, as well as what governs it, are still widely debated research topics. For example, while some studies [4][5][6] have supported the view of structure making and structure breaking by ionic solutes, others [7][8][9] have not. Similarly, in the case of water near charged surfaces, while experiments 10,11 reveal disruption of the H-bond network, simulations 12,13 show that the H-bond network is largely intact.…”
Section: Introductionmentioning
confidence: 99%