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Computer Simulations on the Free Energies and Phase Diagrams of Asymmetrically Interacting Blends

✍ Scribed by Kumar, Sanat K.

Book ID
127088824
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
316 KB
Volume
30
Category
Article
ISSN
0024-9297

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The polynomial path is introduced for the calculation of liquid state free energies. The well-characterized SPC, TIP4P, and MCY water models were used to demonstrate its efficiency, as well as its range of applicability in coqjunction with Monte Garlo computer simulations using thermodynamic integra