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Monte Carlo Simulation of Silica Surface Dehydroxylation under Nonisothermal Conditions †

✍ Scribed by Bogillo, V. I.; Pirnach, L. S.; Dabrowski, A.


Book ID
120533312
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
270 KB
Volume
13
Category
Article
ISSN
0743-7463

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Monte Carlo simulation of thermodynamic
✍ Dirk Labudde; Reinhard Mahnke; Vilnis Frischfeld 📂 Article 📅 1997 🏛 Elsevier Science 🌐 English ⚖ 887 KB

The thermodynamic state function free energy F(T, ~N) as function of the cluster distribution N and the thermodynamic parameters (temperature T and volume V) is calculated in the canonical ensemble. With the help of the Legendre transformatton we get all other state functions for different boundary