Water transport in aquaporins: molecular dynamics simulations

10.2741/3308 ◽  
2009 ◽  
Vol Volume (14) ◽  
pp. 1283 ◽  
Author(s):  
Mitsunori Ikeguchi
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Water Transport ◽  
Dynamics Simulations

Nanoscopic insights of saline water in carbon nanotube appended filters using molecular dynamics simulations

2019 ◽  
Vol 21 (16) ◽  
pp. 8529-8542 ◽  
Author(s):  
Pooja Sahu ◽  
Sk. Musharaf Ali ◽  
K. T. Shenoy ◽  
S. Mohan
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Molecular Dynamics Simulations ◽  
Water Transport ◽  
Saline Water ◽  
High Salt ◽  
Salt Rejection ◽  
Dynamics Simulations ◽  
Very High

Nanotube appended membranes are shown to be very promising due to their ultrafast water transport and very high salt rejection ability.

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

2019 ◽  
Vol 21 (38) ◽  
pp. 21389-21406 ◽  
Author(s):  
Pooja Sahu ◽  
Sk. Musharaf Ali
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Water Transport ◽  
Continuum Model ◽  
Water Desalination ◽  
Multilayer Graphene ◽  
Salty Water ◽  
Graphene Membrane ◽  
Dynamics Simulations ◽  
Pressure Driven Flow

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.

Exploring fast water permeation through aquaporin-mimicking membranes

2020 ◽  
Vol 22 (3) ◽  
pp. 1333-1348 ◽  
Author(s):  
Majid Shahbabaei ◽  
Daejoong Kim
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Water Transport ◽  
Multilayer Graphene ◽  
Tubular Structures ◽  
Water Permeation ◽  
Dynamics Simulations

Using molecular dynamics simulations, herein, we illustrate that a bending structure shows different behaviors for fast water transport through aquaporin-mimicking membranes in multilayer graphene and tubular structures.

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