Table 2 L-J potential energy parameters of silica substrate atoms.

From: The phase transition characteristics of n-pentane in silica slits with different wettability by Monte Carlo method

Atomic type

σ (Å)

ε (kcal/mol)

O

2.708

0.3676

Si

3.905

0.04

H(in –OH)

0

0

O(in –OH)

3.07

0.17

–CH3

3.905

0.175

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