Next Article in Journal
Biocompatibility Evaluation of Dental Luting Cements Using Cytokine Released from Human Oral Fibroblasts and Keratinocytes
Next Article in Special Issue
Reduction of Adipose Tissue Formation by the Controlled Release of BMP-2 Using a Hydroxyapatite-Coated Collagen Carrier System for Sinus-Augmentation/Extraction-Socket Grafting
Previous Article in Journal
1-(Triethoxysilyl)buta-1,3-dienes—New Building Blocks for Stereoselective Synthesis of Unsymmetrical (E,E)-1,4-Disubstituted 1,3-dienes
Article Menu

Export Article

Open AccessArticle
Materials 2015, 8(11), 7257-7268; doi:10.3390/ma8115380

Molecular Dynamics Simulation of the Effect of Angle Variation on Water Permeability through Hourglass-Shaped Nanopores

1
Department of Mechanical Engineering, Sogang University, Seoul 04107, Korea
2
Nano-Mechanical Systems Research Division, Korea Institute of Machinery and Materials, Daejeon 34103, Korea
*
Author to whom correspondence should be addressed.
Academic Editor: Wen-Hsiang Hsieh
Received: 25 August 2015 / Accepted: 23 October 2015 / Published: 29 October 2015
(This article belongs to the Special Issue Selected Papers from ICBEI2015)
View Full-Text   |   Download PDF [1689 KB, uploaded 6 November 2015]   |  

Abstract

Water transport through aquaporin water channels occurs extensively in cell membranes. Hourglass-shaped (biconical) pores resemble the geometry of these aquaporin channels and therefore attract much research attention. We assumed that hourglass-shaped nanopores are capable of high water permeation like biological aquaporins. In order to prove the assumption, we investigated nanoscale water transport through a model hourglass-shaped pore using molecular dynamics simulations while varying the angle of the conical entrance and the total nanopore length. The results show that a minimal departure from optimized cone angle (e.g., 9° for 30 Å case) significantly increases the osmotic permeability and that there is a non-linear relationship between permeability and the cone angle. The analysis of hydrodynamic resistance proves that the conical entrance helps to reduce the hydrodynamic entrance hindrance. Our numerical and analytical results thus confirm our initial assumption and suggest that fast water transport can be achieved by adjusting the cone angle and length of an hourglass-shaped nanopore. View Full-Text
Keywords: hourglass-shaped pore; cone angle; hydrodynamic permeability; molecular dynamics hourglass-shaped pore; cone angle; hydrodynamic permeability; molecular dynamics
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

Scifeed alert for new publications

Never miss any articles matching your research from any publisher
  • Get alerts for new papers matching your research
  • Find out the new papers from selected authors
  • Updated daily for 49'000+ journals and 6000+ publishers
  • Define your Scifeed now

SciFeed Share & Cite This Article

MDPI and ACS Style

Tang, D.; Li, L.; Shahbabaei, M.; Yoo, Y.-E.; Kim, D. Molecular Dynamics Simulation of the Effect of Angle Variation on Water Permeability through Hourglass-Shaped Nanopores. Materials 2015, 8, 7257-7268.

Show more citation formats Show less citations formats

Related Articles

Article Metrics

Article Access Statistics

1

Comments

[Return to top]
Materials EISSN 1996-1944 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top