English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

The dependence of wettability on brine ionic composition in oil/brine/rock systems, which is denoted as ion-tuned wettability, has important applications in geoscience. Due to the involvement of non-continuum effects, molecular dynamics (MD) simulation is necessary to improve understanding of its mechanism. This work establishes a reliable molecular dynamics (MD) framework to study ion-tuned wettability. We prove that our model system can well represent the wettability of the real oil/brine/rock system, and that the wettability alteration from the MD results is qualitatively consistent with the EDL repulsion theory when ion-binding does not exist. In the process to establish the MD framework, our work suggests that adding counter ions to balance interface charges is good for studying concentration effect on wettability, and the contact angle defined from mass center coordinates is effective to measure the wettability of the nano-scale MD system. This work provides the basis for on-going studies using MD simulation to reveal the mechanism of ion-tuned wettability

Molecular dynamics for ion-tuned wettability in oil/brine/rock systems