Speaker
Description
Understanding the evolution of nanometer-scale pore networks within shale matrices during gas production is crucial for predicting long-term production behaviors. However, the timescales associated with matrix restructuring often exceed the capabilities of classical molecular dynamics simulations. To address this limitation, we employ Metadynamics simulation, an enhanced sampling technique, in combination with transition state theory, to simulate and quantify the free energy landscape governing the evolution of pore size distribution (PSD). By applying a history-dependent bias potential, we systematically accelerate the sampling of these rare and slow geological processes, enabling the direct simulation of PSD transformations. This approach represents a significant advancement beyond classical molecular dynamics simulations. Preliminary results highlight the specific geochemical conditions critical to determining the stability of transport pathways. This framework provides a predictive, physics-based tool for assessing the shale matrix evolution during gas production, offering novel insights for optimizing extraction strategies.
| Country | China |
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