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An optimized molecular potential for carbon dioxide

✍ Scribed by Zhang, Zhigang; Duan, Zhenhao


Book ID
120432778
Publisher
American Institute of Physics
Year
2005
Tongue
English
Weight
594 KB
Volume
122
Category
Article
ISSN
0021-9606

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An effective isotropic pair potential energy function is reported, calculated by a three-iteration inversion of correlated carbon dioxide gas viscosities. The procedure yields a well depth of 252.7 K. The potential function is compared with a sphericalisation of a two-centre exp-6 function. A compar