“…Parameters e fs and s fs are obtained according to the standard Lorentz-Berthelot combining rules, with the Lennard-Jones parameter of C, O, Al, Si, K, Ca, CO 2 and CH 4 , which is listed in Table 1. 18,[24][25][26][27] Parameter s 0 ss represents the diameter of the outermost atom, which is 2.85 Å for illite and 3.30 Å for calcite. Parameter h is the distance from corresponding inner plane to the outer surface of the mineral, whose value is obtained according to the mineral crystal structure.…”