Molecular-Dynamics Simulation of Self-Diffusion of Molecular Hydrogen in X-Type Zeolite

Table 1

Lennard-Jones parameters used for hydrogen adsorption on NaX zeolite.

Atom type	ε (kcal/mol)	σ (Å)	Reference
H	0.0726	2.958	[20]
Si	0.0370	0.076	[21]
Al	0.0384	1.140	[21]
O	0.3342	3.040	[21]
Na^+	0.1008	1.746	[22]