dorsal/arxiv
View SchemaMicrostructure of neat alcohols
| Authors | Aurelien Perera, Franjo Sokolic, Larisa Zoranic |
|---|---|
| Categories | |
| ArXiv ID | physics/0703246 |
| URL | https://arxiv.org/abs/physics/0703246 |
| DOI | 10.1103/PhysRevE.75.060502 |
Abstract
Formation of microstructure in homogeneous associated liquids is analysed through the density-density pair correlation functions, both in direct and reciprocal space, as well as an effective local one-body density function. This is illustrated through a molecular dynamics study of two neat alcohols, namely methanol and \emph{tert}-butanol, which have a rich microstructure: chain-like molecular association for the former and micelle-like for the latter. The relation to hydrogen bonding interaction is demonstrated. The apparent failure to find microstructure in water -a stronger hydrogen bonding liquid- with the same tools, is discussed.
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"abstract": "Formation of microstructure in homogeneous associated liquids is analysed\nthrough the density-density pair correlation functions, both in direct and\nreciprocal space, as well as an effective local one-body density function. This\nis illustrated through a molecular dynamics study of two neat alcohols, namely\nmethanol and \\emph{tert}-butanol, which have a rich microstructure: chain-like\nmolecular association for the former and micelle-like for the latter. The\nrelation to hydrogen bonding interaction is demonstrated. The apparent failure\nto find microstructure in water -a stronger hydrogen bonding liquid- with the\nsame tools, is discussed.",
"arxiv_id": "physics/0703246",
"authors": [
"Aurelien Perera",
"Franjo Sokolic",
"Larisa Zoranic"
],
"categories": [
"physics.chem-ph"
],
"doi": "10.1103/PhysRevE.75.060502",
"title": "Microstructure of neat alcohols",
"url": "https://arxiv.org/abs/physics/0703246"
},
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