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June 3, 2026Geoenergy Science and Engineering0 citationsOpen Access

Molecular Insight into Interfacial Structure-Driven Anisotropic CO2 Diffusion in Water-saturated Silica Confinements

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MXMinjunshi XieLDLian DuanXLXu Liu

Key Points

  • The study aims to investigate how interfacial structures influence the anisotropic diffusion of CO2 in silica under hydrated conditions.
  • Analyzed CO2 transport on Q3 surfaces with varying surface wettability.
  • Examined directional diffusion patterns through nanoscale simulations.
  • Assessed residence time of CO2 relative to surface characteristics.
  • CO2 diffusion is anisotropic, showing directional transport along specific corridor-like arrangements.
  • Interfacial structures significantly influence CO2 transport behavior on nanoscale.
  • Higher surface wettability correlates with increased residence times for CO2.

Abstract

• Anisotropic CO 2 transport emerges on Q3 surfaces under hydrated confinement. • Directional CO 2 diffusion follows corridor-like arrangements of adsorption sites. • Interfacial structure governs nanoscale CO 2 transport behavior. • Residence time is related to surface wettability.

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Cite This Study

Xie et al. (2026) studied this question.

synapsesocial.com/papers/6a1fc64adee9eb8c0dce77fbhttps://doi.org/10.1016/j.geoen.2026.214601
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