CALCULATION OF THE GAS HYDRATE HS-1 FRAMEWORK STRUCTURE AND ITS ENERGY ESTIMATION

Authors
KOSYAKOV VI SHESTAKOV VA SOLODOVNIKOV SF
Citation
Vi. Kosyakov et al., CALCULATION OF THE GAS HYDRATE HS-1 FRAMEWORK STRUCTURE AND ITS ENERGY ESTIMATION, Journal of structural chemistry, 34(5), 1993, pp. 810-813
Citations number
11
Categorie Soggetti
Chemistry Inorganic & Nuclear","Chemistry Physical
Journal title
Journal of structural chemistry → ACNP
ISSN journal
00224766
Volume
34
Issue
5
Year of publication
1993
Pages
810 - 813
Database
ISI
SICI code
0022-4766(1993)34:5<810:COTGHH>2.0.ZU;2-6
Abstract
Using the Zimmerman-Pimentel potential, we have calculated the basic a tomic coordinates of the unit cell of the gas hydrate HS-I framework. A minimum change in the strain energy of hydrogen bonds U(H) takes pla ce in formation of this framework from ice Ih. The dependence of U(H) on the lattice parameters is derived.