Concepedia

On the replacement behavior of CO2 in nanopores of shale oil reservoirs: Insights from wettability tests and molecular dynamics simulations

Xiaohu Dong, Wenjing Xu, Huiqing Liu, Zhangxin Chen, Ning Lu, Wuchao Wang

Geoenergy Science and Engineering · 2023 · 60 citations · 54 references

DOI

Concepts

References

54

Fast Parallel Algorithms for Short-Range Molecular Dynamics

Steven J. Plimpton · Journal of Computational Physics · 1995 · 44.6K citations

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The missing term in effective pair potentials

Herman J. C. Berendsen, J. Raúl Grigera, Tjerk P. Straatsma · The Journal of Physical Chemistry · 1987 · 13.4K citations

, , +9

Nosé–Hoover chains: The canonical ensemble via continuous dynamics

Glenn Martyna, Michael L. Klein, Mark E. Tuckerman · The Journal of Chemical Physics · 1992 · 5.8K citations

, , +16

Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field

Randall T. Cygan, Jian-Jie Liang, Andrey G. Kalinichev · The Journal of Physical Chemistry B · 2004 · 3.1K citations

, , +17

Optimized intermolecular potential functions for liquid hydrocarbons

William L. Jorgensen, Jeffry D. Madura, Carol J. Swenson · Journal of the American Chemical Society · 1984 · 2.3K citations

, , +13