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Influence of electric field on the hydrogen bond network of methanol

DSpace at IIT Bombay

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Title Influence of electric field on the hydrogen bond network of methanol
 
Creator SURESH, SJ
PRABHU, AL
ARORA, A
 
Subject molecular-dynamics simulation
liquid methanol
double-layer
dielectric-constant
aqueous-solutions
water-molecules
solvation
ions
interface
surface
 
Description The understanding of the structure of hydrogen (H) bonding liquids in electric (E) fields is important in the context of several areas of research, such as electrochemistry, surface science, and thermodynamics of electrolyte solutions. We had earlier presented a general thermodynamic framework for this purpose, and had shown that the application of E field enhances H-bond interactions among water molecules. The present investigation with methanol suggests a different result-the H-bond structure, as indicated by the average number of H bonds per molecule, goes through a maxima with increasing field strength. This result is explained based on the symmetry in the location of the H-bonding sites in the two types of molecules. (c) 2007
 
Publisher AMER INST PHYSICS
 
Date 2011-07-16T07:30:22Z
2011-12-26T12:49:39Z
2011-12-27T05:35:12Z
2011-07-16T07:30:22Z
2011-12-26T12:49:39Z
2011-12-27T05:35:12Z
2007
 
Type Article
 
Identifier JOURNAL OF CHEMICAL PHYSICS, 126(13), -
0021-9606
http://dx.doi.org/10.1063/1.2647105
http://dspace.library.iitb.ac.in/xmlui/handle/10054/4363
http://hdl.handle.net/10054/4363
 
Language en