Molecular insight into the occurrence characteristics of confined shale oil with associated gas

2026/01/01 by Qingyang Hu, Dong Liang, Zichang Wang +4 · 1 voice
Chemistry · Engineering · #Hydrocarbon exploration and reservoir analysis #Petroleum Processing and Analysis #Phase Equilibria and Thermodynamics

paper · doi:10.1039/d5me00168d

openalex publication_date 2026/01/01 · openalex created_date 2026/01/24 · openalex updated_date 2026/06/26

Abstract

Molecular dynamics simulations reveal that associated gas regulates shale oil occurrence in nanopores via competitive adsorption, reducing adsorbed oil proportion (38.3% → 21.7%). Mineral sensitivity follows quartz > calcite > kaolinite, guiding shale oil development.

Citations

• LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

Discussions

• New in #MSDE 🧪 A molecular dynamics study reveals how associated gas content and mineral type control the distribution and mobility of confined shale oil at the nanoscale — offering new insight into [bsky, 2 points, 0 comments]

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