“…As for the choice of the exponents, we recall that by integrating the dispersion interaction between a LJ particle and an infinite slab formed by LJ centres, an overall particle-surface potential governed by a (9,3) law is obtained. In the literature, the particle-surface energy is usually modelled with a variety of repulsive and attractive exponents, like the (10, 4) exponents implemented by Steuer et al, 26 and the (9, 3) used by Caprion et al 27 Considering that most common materials mentioned in the Introduction are far from being completely smooth 9,20,21 and also the existence of electrostatic interactions [13][14][15][16][17][18][19] between surfaces and molecules, we have arbitrarily set the repulsive coefficient n to a softer value of 6 to allow for some surface penetration, while keeping m = 3.…”