Water desalination using graphene nanopores: influence of the water models used in simulations

Composition Dependence of Water Permeation Across Multicomponent Gel-Phase Bilayers

(2018) Remco Hartkamp et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A molecular dynamics investigation of the influence of water structure on ion conduction through a carbon nanotube

(2017) L. Liu et al.   JOURNAL OF CHEMICAL PHYSICS

Reverse osmosis applications: Prospect and challenges

(2016) I.G. Wenten et al.   DESALINATION

Organic Fouling of Graphene Oxide Membranes and Its Implications for Membrane Fouling Control in Engineered Osmosis

(2016) Meng Hu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Simulated conduction rates of water through a (6,6) carbon nanotube strongly depend on bulk properties of the model employed

(2016) L. Liu et al.   JOURNAL OF CHEMICAL PHYSICS

Physics behind Water Transport through Nanoporous Boron Nitride and Graphene

(2016) Ludovic Garnier et al.   Journal of Physical Chemistry Letters

The Critical Need for Increased Selectivity, Not Increased Water Permeability, for Desalination Membranes

(2016) Jay R. Werber et al.   Environmental Science & Technology Letters

Graphene-based nanomaterial: The state-of-the-art material for cutting edge desalination technology

(2015) P.S. Goh et al.   DESALINATION

Functional graphene nanosheets: The next generation membranes for water desalination

(2015) Khaled A. Mahmoud et al.   DESALINATION

Nanoporous graphene as a reverse osmosis membrane: Recent insights from theory and simulation

(2015) David Cohen-Tanugi et al.   DESALINATION

A multiscale approach to model hydrogen bonding: The case of polyamide

(2015) Richard J. Gowers et al.   JOURNAL OF CHEMICAL PHYSICS

Pyridinic nitrogen doped nanoporous graphene as desalination membrane: Molecular simulation study

(2015) Qi Chen et al.   JOURNAL OF MEMBRANE SCIENCE

Water desalination using nanoporous single-layer graphene

(2015) Sumedh P. Surwade et al.   Nature Nanotechnology

Structure, dynamics and thermodynamics of single-file water under confinement: effects of polarizability of water molecules

(2015) Hemant Kumar et al.   RSC Advances

Carbon nanotube membranes for water purification: A bright future in water desalination

(2014) Rasel Das et al.   DESALINATION

Quantifying the potential of ultra-permeable membranes for water desalination

(2014) David Cohen-Tanugi et al.   Energy & Environmental Science

Ion transport in sub-5-nm graphene nanopores

(2014) Myung E. Suk et al.   JOURNAL OF CHEMICAL PHYSICS

Structure and transport of aqueous electrolytes: From simple halides to radionuclide ions

(2014) Remco Hartkamp et al.   JOURNAL OF CHEMICAL PHYSICS

Simulations of water transport through carbon nanotubes: How different water models influence the conduction rate

(2014) L. Liu et al.   JOURNAL OF CHEMICAL PHYSICS

Water permeability of nanoporous graphene at realistic pressures for reverse osmosis desalination

(2014) David Cohen-Tanugi et al.   JOURNAL OF CHEMICAL PHYSICS

The Adaptive Biasing Force Method: Everything You Always Wanted To Know but Were Afraid To Ask

(2014) Jeffrey Comer et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular dynamics simulation of the graphene–water interface: comparing water models

(2014) Tuan A. Ho et al.   MOLECULAR SIMULATION

Molecular dynamics simulations in membrane-based water treatment processes: A systematic overview

(2013) Hannah Ebro et al.   JOURNAL OF MEMBRANE SCIENCE

Simulation Insights for Graphene-Based Water Desalination Membranes

(2013) Deepthi Konatham et al.   LANGMUIR

Using collective variables to drive molecular dynamics simulations

(2013) Giacomo Fiorin et al.   MOLECULAR PHYSICS

Optimizing water permeability through the hourglass shape of aquaporins

(2013) S. Gravelle et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Molecular and continuum hydrodynamics in graphene nanopores

(2013) M. E. Suk et al.   RSC Advances

Purification of water through nanoporous carbon membranes: a molecular simulation viewpoint

(2013) Erich A. Müller   Current Opinion in Chemical Engineering

A comparison of the value of viscosity for several water models using Poiseuille flow in a nano-channel

(2012) A. P. Markesteijn et al.   JOURNAL OF CHEMICAL PHYSICS

Water Desalination across Nanoporous Graphene

(2012) David Cohen-Tanugi et al.   NANO LETTERS

Ion transport through a graphene nanopore

(2012) Guohui Hu et al.   NANOTECHNOLOGY

Simulating water with rigid non-polarizable models: a general perspective

(2011) Carlos Vega et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Exploring Multidimensional Free Energy Landscapes Using Time-Dependent Biases on Collective Variables

(2009) Jérome Hénin et al.   Journal of Chemical Theory and Computation

Tension at the Surface: Which Phase Is More Important, Liquid or Vapor?

(2009) Andrew M. Prpich et al.   PLoS One

Adaptive biasing force method for scalar and vector free energy calculations

(2008) Eric Darve et al.   JOURNAL OF CHEMICAL PHYSICS

Water Confined in Nanotubes and between Graphene Sheets:  A First Principle Study

(2008) Giancarlo Cicero et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Selective Ion Passage through Functionalized Graphene Nanopores

(2008) Kyaw Sint et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY