Molecular fluid flow in MoS2 nanoporous membranes and hydrodynamics interactions.

@article{KleinubingAbal2021MolecularFF,
  title={Molecular fluid flow in MoS2 nanoporous membranes and hydrodynamics interactions.},
  author={Jo{\~a}o P Kleinubing Abal and Marcia C. Barbosa},
  journal={The Journal of chemical physics},
  year={2021},
  volume={154 13},
  pages={
          134506
        }
}
We study the impact of the induced pressure fields on the water flow and salt rejection in nanopores produced in MoS2 membranes. We observe that the water permeability and the salt rejection are not impacted by the distance between the pores. This result contradicts the continuous fluid mechanics calculations in microfilters, which indicates the existence of hydrodynamic interactions between adjacent pores that increase the water mobility. Our results suggest that at this nanoscale, the… 
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References

SHOWING 1-10 OF 52 REFERENCES

Transport behavior of water molecules through two-dimensional nanopores.

This work investigates the microstructure of water flow through two-dimensional model graphene membrane containing a variety of nanopores of different size by using molecular dynamics simulations, and indicates that the continuum flow transits to discrete molecular flow patterns with decreasing pore sizes.

Molecular and continuum hydrodynamics in graphene nanopores

An ultrathin graphene membrane is a promising candidate for various applications such as gas separation, water purification, biosensors, etc. In this study, we investigate water transport mechanisms

Molecular transportation phenomena of simple liquids through a nanoporous graphene membrane.

It is observed that the entrance interfacial pressure and higher local viscosity in the vicinity of the graphene membrane, which are associated with the optimized definition of the wall-liquid boundary near the pore edge, play a critical role in the permeation of simple liquids through the nanoporous graphene membrane.

Water desalination across nanoporous graphene.

The results indicate that the water permeability of this material is several orders of magnitude higher than conventional reverse osmosis membranes, and that nanoporous graphene may have a valuable role to play for water purification.

Breakdown of continuum model for water transport and desalination through ultrathin graphene nanopores: insights from molecular dynamics simulations.

  • P. SahuS. Ali
  • Engineering
    Physical chemistry chemical physics : PCCP
  • 2019
In the quest for identifying a graphene membrane for efficient water desalination, molecular dynamics simulations were performed for the pressure-driven flow of salty water across a multilayer graphene membrane and revealed that the macroscopic water flux through the graphene nanopores can be linked to the microscopic diffusion of water.

The impact of membrane surface charges on the ion transport in MoS2 nanopore power generators

Recent experiments demonstrated giant osmotic effects induced in a single-atomic-layer MoS2 nanopore by imposing a KCl concentration bias, thereby highlighting the prospect of ultrathin nanopores as

Water and Solute Transport Governed by Tunable Pore Size Distributions in Nanoporous Graphene Membranes.

Through tuning of the pore creation process, this work demonstrates nanofiltration membranes that reject small molecules but offer high permeance to water or monovalent ions and presents a framework for designing atomically thin membranes.

Water transport through graphene and MoS2 nanopores

In this work, pressure-driven water transport through graphene and molybdenum disulfide (MoS2) nanopores is investigated through molecular dynamics simulations. The dependence of water flow rate on

Water desalination with a single-layer MoS2 nanopore

It is shown, by performing molecular dynamics simulations, that a nanopore in a single-layer molybdenum disulfide can effectively reject ions and allow transport of water at a high rate.

Flow rate through microfilters: Influence of the pore size distribution, hydrodynamic interactions, wall slip, and inertia

We examine the fluid mechanics of viscous flow through filters consisting of perforated thin plates. We classify the effects that contribute to the hydraulic resistance of the filter. Classical
...