82-XX STATISTICAL MECHANICS, STRUCTURE OF MATTER
Refine
Year of publication
- 2012 (1) (remove)
Document Type
- ZIB-Report (1)
Language
- English (1)
Has Fulltext
- yes (1)
Is part of the Bibliography
- no (1)
Institute
This work aims to develop a new algorithm to calculate the free energy of water molecules by using a deterministic way.
For this purpose, we assume a closed system confined to a physical volume, having water molecules in gas phase.
To calculate the free energy of this sytem we utilized Mayer cluster expansion and the fluctuation free integration
method.