Molecular Dynamics Study of Hydrogen on Alkali-Earth Metal Cations Exchanged X Zeolites

Table 2

Lennard-Jones interaction parameters.

Atom type	ε (kJ·mol^−1)	𝜎 (Å)	Reference
H	0.3039	2.958	[15]
Si	0.1549	0.076	[16]
Al	0.1607	1.140	[16]
O	1.397	3.040	[16]
Ca^2+	0.6492	2.98	[17]
Ba^2+	1.874	3.82	[17]
Mg^2+	0.0820	3.402	[18]