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Updated: Sep 17, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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An efficient multiscale simulation framework integrating dynamic heterogeneity for accurate waterflooding prediction.

Li Wu1,2, Junqiang Wang3, Deli Jia4

  • 1School of Energy, China University of Geosciences (Beijing), Beijing, 10083, China. wuli_edu@163.com.

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Summary

This study introduces a novel multi-scale simulation method to accurately model dynamic reservoir heterogeneity during waterflooding. The approach significantly improves oil recovery in high water-cut stages by capturing opposing permeability effects.

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Area of Science:

  • Petroleum Engineering
  • Reservoir Simulation
  • Computational Geoscience

Background:

  • Waterflooding is vital for oil and gas production in China.
  • Commercial simulators struggle to accurately model dynamic reservoir heterogeneity induced by waterflooding.
  • This limitation hinders precise prediction of remaining oil, especially in high water-cut stages.

Purpose of the Study:

  • To develop and validate an efficient and accurate multi-scale simulation method for modeling dynamic reservoir heterogeneity.
  • To incorporate time-varying absolute permeability (k) and relative permeability (kr) driven by surface flux.
  • To improve the prediction of oil recovery in high water-cut reservoirs.

Main Methods:

  • Proposed an improved multi-scale finite volume (IMsFV) method to solve pressure equations on multi-scale grids.
  • Incorporated time-varying absolute permeability (k) and relative permeability (kr) driven by surface flux.
  • Validated the method using the SPE10 benchmark, comparing simulation time and accuracy against a fully implicit method.

Main Results:

  • Achieved significant reductions in simulation time (95.07% total, 98.19% linear solver) with errors < 5% compared to the fully implicit method.
  • Demonstrated that dynamic relative permeability (kr) enhances fluid mobility and reduces residual oil saturation, dominating over dynamic absolute permeability (k) effects.
  • Sensitivity analysis showed enhanced recovery by 28.88-32.87% at 99% water cut and amplified gains with increasing injection rates.

Conclusions:

  • The proposed multi-scale simulation method accurately captures dynamic heterogeneity, outperforming commercial simulators.
  • Dynamic relative permeability plays a crucial role in improving oil recovery during high water-cut stages.
  • This approach offers an efficient and accurate tool for predicting remaining oil in mature, high water-cut reservoirs.