A detailed analysis of hydrogen bonding in supercritical water is made from Monte Carlo simulations along the 773 K isotherm over a wide range of pressures from 10 to 10000 MPa. It is shown that an energetic definition of H-bonding is much more effective in separating H-bonded and non-bonded molecul
Micellar dynamics and water–water hydrogen-bonding from temperature-jump Monte Carlo simulations
✍ Scribed by Heinzelmann, G.; Figueiredo, W.; Girardi, M.
- Book ID
- 123310277
- Publisher
- Elsevier Science
- Year
- 2012
- Tongue
- English
- Weight
- 458 KB
- Volume
- 550
- Category
- Article
- ISSN
- 0009-2614
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