Surface Effects on Aqueous Ionic Solvation:  A Molecular Dynamics Simulation Study of NaCl at the Air/Water Interface from Infinite Dilution to Saturation

2000 ◽  
Vol 104 (32) ◽  
pp. 7702-7706 ◽  
Author(s):  
Pavel Jungwirth ◽  
Douglas J. Tobias
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Infinite Dilution ◽  
Surface Effects ◽  
Dynamics Simulation ◽  
Water Interface ◽  
Ionic Solvation ◽  
Air Water Interface

Characterization of the Reduced and Oxidized Polypyrrole/Water Interface:  A Molecular Dynamics Simulation Study

2003 ◽  
Vol 107 (35) ◽  
pp. 9339-9343 ◽  
Author(s):  
J. J. López Cascales ◽  
A. J. Fernández ◽  
T. F. Otero
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Water Interface

Molecular dynamics simulation of carbon dioxide diffusion in NaA zeolite: assessment of surface effects and evaluation of bulk-like properties

2020 ◽  
Vol 22 (39) ◽  
pp. 22529-22536
Author(s):  
Sofia O. Slavova ◽  
Anastasia A. Sizova ◽  
Vladimir V. Sizov
Keyword(s):  
Carbon Dioxide ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Surface Effects ◽  
Dynamics Simulation ◽  
Naa Zeolite ◽  
Lta Zeolite ◽  
And Diffusion ◽  
Diffusion Activation

Simulation study of surface effects and diffusion in CO2-loaded cationic LTA zeolite produced CO2 and Na+ diffusion activation energies.

Molecular dynamics simulation of interface-mediated GO-GO interaction at the air-water interface

2019 ◽  
Vol 291 ◽  
pp. 111340
Author(s):  
Zhibin Zhou ◽  
Zhijun Xu ◽  
Xiaoning Yang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Water Interface ◽  
Air Water Interface

Molecular Dynamics Simulation of Amphiphilic Bistable [2]Rotaxane Langmuir Monolayers at the Air/Water Interface

2005 ◽  
Vol 127 (42) ◽  
pp. 14804-14816 ◽  
Author(s):  
Seung Soon Jang ◽  
Yun Hee Jang ◽  
Yong-Hoon Kim ◽  
William A. Goddard ◽  
Jang Wook Choi ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Langmuir Monolayers ◽  
Dynamics Simulation ◽  
Water Interface ◽  
Air Water Interface

Molecular Dynamics Simulation of (Octadecylamino)dihydroxysalicylaldehyde at Air/Water Interface

Langmuir ◽  
2002 ◽  
Vol 18 (3) ◽  
pp. 928-931 ◽  
Author(s):  
A. Dhathathreyan ◽  
S. J. Collins
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Water Interface ◽  
Air Water Interface

Aggregation Behaviors of PEO-PPO-ph-PPO-PEO and PPO-PEO-ph-PEO-PPO at an Air/Water Interface: Experimental Study and Molecular Dynamics Simulation

Langmuir ◽  
2012 ◽  
Vol 28 (38) ◽  
pp. 13590-13600 ◽  
Author(s):  
Houjian Gong ◽  
Guiying Xu ◽  
Teng Liu ◽  
Long Xu ◽  
Xueru Zhai ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Experimental Study ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Water Interface ◽  
Air Water Interface ◽  
Aggregation Behaviors
Sign in / Sign up

Export Citation Format

Share Document