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Atomistic Study of Dynamic Contact Angles in CO2–Water–Silica System
journal contribution
posted on 2019-03-14, 00:00 authored by Pengyu Huang, Luming Shen, Yixiang Gan, Federico Maggi, Abbas El-Zein, Zhejun PanThe
dynamic wetting for the CO2–water–silica
system occurring in deep reservoirs is complex because of the interactions
among multiple phases. This work aims to quantify the contact angle
of CO2–water flow in the silica channel at six different
flow velocities using molecular dynamics. The dynamic contact angle
values at different contact line velocities are obtained for the CO2–water–silica system. By calculating the rates
of the adsorption–desorption process of CO2 and
water molecules on the silica surface using molecular dynamics simulations,
it has been found that the results of the dynamic contact angle can
be explained by the molecular kinetic theory and predicted from the
equilibrium molecular simulations. Moreover, the capillary pressure
at different contact line velocities is predicted according to the
Young–Laplace equation. The change in contact angles at different
velocities is compared with empirical equations in terms of capillary
number. The results of this study can help us better understand the
dynamic process of the multiphase flow at the nanoscale under realistic
reservoir conditions.
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