Computer simulation study of methane in
โ
Konstantin S. Smirnov
๐
Article
๐
1994
๐
Elsevier Science
๐
English
โ 670 KB
Characteristics of methane in silicalite were studied by a molecular dynamics technique. The model used takes all degrees of freedom of adsorbate molecules into account, while the zeolite framework was either rigid or flexible, The calculated heat of adsorption, diffusion coeffkient, and spectral ch