In this study equilibrium condition of pure hydrogen hydrates is determined with Lee-Holder model. Two hydrogen molecules and four hydrogen molecules encaged in the small and large cavities respectively. Langmuir constant of hydrogen is calculated with the Exp-6 potential. Lee et al. reported parameter of this model by integrating ab initio calculation with classical statistical thermodynamics. This model reasonably predicts dissociation pressures of hydrogen hydrates.Calculated reference parameters are used in modeling of binary hydrogen hydrates. Lattice distortion model is used for modeling of binary hydrogen hydrates with tetrahydrofuran (THF) as a promoter. Cavity radius and parameters...

In this study equilibrium condition of pure hydrogen hydrates is determined with Lee-Holder model. Two hydrogen molecules and four hydrogen molecules encaged in the small and large cavities respectively. Langmuir constant of hydrogen is calculated with the Exp-6 potential. Lee et al. reported parameter of this model by integrating ab initio calculation with classical statistical thermodynamics. This model reasonably predicts dissociation pressures of hydrogen hydrates.Calculated reference parameters are used in modeling of binary hydrogen hydrates. Lattice distortion model is used for modeling of binary hydrogen hydrates with tetrahydrofuran (THF) as a promoter. Cavity radius and parameters...