Effects of ionic hydration and hydrogen bonding on flow resistance of ionic aqueous solutions confined in molybdenum disulfide nanoslits: Insights from molecular dynamics simulations

Yumeng Zhang, Wei Zhu, Jiahui Li, Yudan Zhu, Anran Wang, Xiaohua Lu, Wei Li, Yijun Shi

Research output: Contribution to journalArticlepeer-review

Abstract

Single-layer molybdenum disulfide (MoS2) is a novel two-dimensional material that has attracted considerable attention because of its excellent properties. In this work, molecular dynamics simulations were performed to investigate the effect of different kinds of alkali metal ions (Li+, Na+, and K+) on the flow resistance of ionic aqueous solutions confined in MoS2 nanoslits under shearing. Three slit widths (i.e. 1.2, 1.6, and 2.0 nm) were investigated. Simulation results showed that the friction coefficient followed the order of K+ 
Original languageEnglish
Pages (from-to)23-29
Number of pages7
JournalFluid phase equilibria
Volume489
DOIs
Publication statusPublished - 15 Jun 2019

Keywords

  • Flow resistance
  • Ionic aqueous solutions
  • Molecular simulations
  • MoS
  • Nanoconfinement

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