scholarly journals Charges of TIP4P water model for mixed quantum/classical calculations of OH stretching frequency in liquid water

2016 ◽  
Vol 5 (1) ◽  
pp. 8-10
Author(s):  
Kiyoung Jeon ◽  
Mino Yang
Keyword(s):  
Liquid Water ◽  
Water Model

A Liquid Water Model That Explains the Variation of Surface Tension of Water with Temperaure

2001 ◽  
Vol 40 (Part 1, No. 3A) ◽  
pp. 1467-1471 ◽  
Author(s):  
Arshad Khan ◽  
M. Rezwan Khan ◽  
M. Ferdouse Khan ◽  
Fahima Khanam
Keyword(s):  
Surface Tension ◽  
Liquid Water ◽  
Water Model

Comparison of Feeding Gas Strategies (Co- and Counter-Flow) in a PEM Fuel Cell Through a Pseudo 2D Diphasic Water Model

2008 ◽  
Author(s):  
Sylvain Chupin ◽  
Julien Ramousse ◽  
Kodjo Agbossou ◽  
Yves Dube´ ◽  
Sophie Didierjean ◽  
...  
Keyword(s):  
Fuel Cell ◽  
Liquid Water ◽  
Water Distribution ◽  
Pem Fuel Cell ◽  
The Other ◽  
Water Model ◽  
Counter Flow ◽  
Cell Control ◽  
Water Flows ◽  
2D Model

The purpose of this study is to establish a simple model representing diphasic water flows in a single cell PEM fuel cell in order to improve fuel cell control. The pseudo-2D model describes the water transfers from one electrode to the other, all along the feeding gas channels. Both vapor and liquid water are considered. The location of first appearance of liquid water can be noticed. The influence of the feeding gas strategies (co- and counter-flow) on the water distribution in the cell are investigated. As a consequence, with the counter-flow feeding gas strategy, water is better distributed in the whole cell, but flooding of the electrode may occur. With a co-flow feeding gas strategy flooding risks are lower, but water distribution in the cell is less homogeneous and could result in a early deterioration of the membrane by drying.

Multiscale Polarizable Coarse-graining Water Models on Cluster-level Electrostatic Dipoles

2021 ◽  
Author(s):  
Min Li ◽  
John Z.H. Zhang
Keyword(s):  
Force Field ◽  
Liquid Water ◽  
Coarse Graining ◽  
Coarse Grained ◽  
Water Model ◽  
Biological Processes ◽  
Water Models ◽  
Cluster Level

The development of coarse-grained (CG) water model is increasingly important in CG studies of biological processes. In this work, we developed a generic CG force field of liquid water on...

A molecular level study of liquid water with a flexible water model

2005 ◽  
Vol 14 (4) ◽  
pp. 785-790 ◽  
Author(s):  
Liu Chang-Song ◽  
Liang Yun-Feng ◽  
Zhu Zhen-Gang ◽  
Li Guang-Xu
Keyword(s):  
Liquid Water ◽  
Molecular Level ◽  
Water Model

Ancient Mars probably too cold for liquid water

Nature ◽  
2014 ◽  
Author(s):  
Sid Perkins
Keyword(s):  
Liquid Water
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