Further evidence for a temperature-dependent hydrophobic interaction: the aggregation of ethane in aqueous solutions
✍ Scribed by R.L. Mancera; A.D. Buckingham
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 485 KB
- Volume
- 234
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
A series of molecular dynamics simulations has been performed on a system comprising 256 water molecules and four ethane molecules at 279, 299, 313, 317, 322, 332 and 346 K. Radial distribution functions for the water-water and ethane-water pairs reveal a structuring of the first hydration shell of ethane, while the radial distribution functions for the ethane-ethane pair show a tendency for ethane particles to aggregate with increasing temperature in a small temperature range, with a maximum around 317 K. This behavior is consistent with an entropy-driven hydrophobic attraction between the nonpolar solutes near room temperature.