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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
Published on: April 12, 2019
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.
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.
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.
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