A density gradient theory based method for surface tension calculations
X Liang, ML Michelsen, GM Kontogeorgis - Fluid Phase Equilibria, 2016 - Elsevier
The density gradient theory has been becoming a widely used framework for calculating
surface tension, within which the same equation of state is used for the interface and bulk
phases, because it is a theoretically sound, consistent and computationally affordable
approach. Based on the observation that the optimal density path from the geometric mean
density gradient theory passes the saddle point of the tangent plane distance to the bulk
phases, we propose to estimate surface tension with an approximate density path profile that …
surface tension, within which the same equation of state is used for the interface and bulk
phases, because it is a theoretically sound, consistent and computationally affordable
approach. Based on the observation that the optimal density path from the geometric mean
density gradient theory passes the saddle point of the tangent plane distance to the bulk
phases, we propose to estimate surface tension with an approximate density path profile that …
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