화학공학소재연구정보센터
Journal of Colloid and Interface Science, Vol.576, 99-108, 2020
Evaluation of methods using topology and integral geometry to assess wettability
Hypothesis: The development of high-resolution in situ imaging has allowed contact angles to be measured directly inside porous materials. We evaluate the use of concepts in integral geometry to determine contact angle. Specifically, we test the hypothesis that it is possible to determine an average contact angle from measurements of the Gaussian curvature of the fluid/fluid meniscus using the Gauss-Bonnet theorem. Theory and simulation: We show that it is not possible to unambiguously determine an average contact angle from the Gauss-Bonnet theorem. We instead present an approximate relationship: 2 pi n(1 - cos theta) = 4 pi - integral kappa(G12) dS(12), where n is the number of closed loops of the three-phase contact line where phases 1 and 2 contact the surface, theta is the average contact angle, while kappa(G12) is the Gaussian curvature of the fluid meniscus which is integrated over its surface S-12. We then use the results of pore-scale lattice Boltzmann simulations to assess the accuracy of this approach to determine a representative contact angle for two-phase flow in porous media. Findings: We show that in simple cases with a flat solid surface, the approximate expression works well. When applied to simulations on pore space images, the equation provides a robust estimate of contact angle, accurate to within 3 degrees, when averaged over many fluid clusters, although individual values can have significant errors because of the approximations used in the calculation. (C) 2020 The Author(s). Published by Elsevier Inc.