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Table 2.

Input parameters for the Monte Carlo simulation.

Parameter	This work	Comparison work
n_H₂O (cm⁻³)	6(8), 6(10), 6(12)	1(11)^a
T (K)	300 − 800	700 − 1200^a
		1000 − 1500^e

E_ads (K)	8420 (55%)
(100)	19 240 (15%)	19 240.4^c, 19 240^b
	15 640 (30%)	16 120^a, 15 132.4^d
N_sites	400	32^a
N_grid cells	400	3924^a,10 000^e
cell size (nm²)	0.06700	0.00062^a

Notes. The number in parentheses (…) indicates the power of 10.

References.

^(a)

Muralidharan et al. (2008);

^(b)

Stimpfl et al. (2006);

^(c)

King et al. (2010);

^(d)

Prigiobbe et al. (2013);

^(e)

Stimpfl et al. (2004).

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