Mechanistic Insights into Brine Domain Assembly Regulated by Natural Potential Field: A Molecular Dynamics Exploration in Porous Media

The behavior of brine solution in the porous media of the strata is of great significance for geological environment regulation. In this study, a molecular dynamics model with silicon dioxide walls was constructed to reveal the regulatory mechanism of the natural potential of the electric field on cluster aggregation. It was found that the critical electric field intensity was 7 V/m. When the electric field intensity was lower than this value, the aggregation rate was only increased by 0.73 times due to thermal motion; when it was higher than this value, the rate increased sharply by 3.2 times due to the dominant effect of electric field force. The microscopic structure analysis indicated that the strong electric field induced the transformation of clusters from fractal structure into an amorphous structure (the index of the order degree increased by 58%). The directional regulation experiments confirmed that the axial electric field led to anisotropic growth (the index of uniformity increased by 0.58 ± 0.04), and the rotational electric field could achieve a three-dimensional uniform distribution (the index of uniformity increased by 42%). This study provides theoretical support for the regulation of brine behavior and the optimization of geological energy storage.