Influence of electric field on the hydrogen bond network of methanol
DSpace at IIT Bombay
View Archive InfoField | Value | |
Title |
Influence of electric field on the hydrogen bond network of methanol
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Creator |
SURESH, SJ
PRABHU, AL ARORA, A |
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Subject |
molecular-dynamics simulation
liquid methanol double-layer dielectric-constant aqueous-solutions water-molecules solvation ions interface surface |
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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
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Publisher |
AMER INST PHYSICS
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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 |
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Type |
Article
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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 |
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Language |
en
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