Publication Date:
2016-06-09
Description:
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.
Language:
English
Type:
reportzib
,
doc-type:preprint
Format:
application/pdf