Influence of hydrophilic surface specificity on the structural properties of confined water.

Influence of hydrophilic surface specificity on the structural properties of confined water.

Malani, Ateeque;Ayappa, K G;Murad, Sohail;
the journal of physical chemistry b 2009 Vol. 113 pp. 13825-39
325
malani2009influencethe

Abstract

The influence of chemical specificity of hydrophilic surfaces on the structure of confined water in the subnanometer regime is investigated using grand canonical Monte Carlo simulations. The structural variations for water confined between hydroxylated silica surfaces are contrasted with water confined between mica surfaces. Although both surfaces are hydrophilic, our study shows that hydration of potassium ions on the mica surface has a strong influence on the water structure and solvation force response of confined water. In contrast to the disrupted hydrogen bond network observed for water confined between mica surfaces, water between silica surfaces retains its hydrogen bond network displaying bulklike structural features down to surface separations as small as 0.45 nm. Hydrogen bonding of an invariant contact water layer with the surface silanol groups aids in maintaining a constant number of hydrogen bonds per water molecule for the silica surfaces. As a consequence, water depletion and rearrangement upon decreasing confinement is a strong function of the hydrophilic surface specificity, particularly at smaller separations. An oscillatory solvation force response is only observed for water confined between silica surfaces, and bulklike features are observed for both surfaces above a surface separation of about 1.2 nm. We evaluate and contrast the water density, dipole moment distributions, pair correlation functions, and solvation forces as a function of the surface separation.

Citation

ID: 90994
Ref Key: malani2009influencethe
Use this key to autocite in SciMatic or Thesis Manager

References

Blockchain Verification

Account:
NFT Contract Address:
0x95644003c57E6F55A65596E3D9Eac6813e3566dA
Article ID:
90994
Unique Identifier:
10.1021/jp902562v
Network:
Scimatic Chain (ID: 481)
Loading...
Blockchain Readiness Checklist
Authors
Abstract
Journal Name
Year
Title
5/5
Creates 1,000,000 NFT tokens for this article
Token Features:
  • ERC-1155 Standard NFT
  • 1 Million Supply per Article
  • Transferable via MetaMask
  • Permanent Blockchain Record
Blockchain QR Code
Scan with Saymatik Web3.0 Wallet

Saymatik Web3.0 Wallet