The global challenge for adequate and safe water
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journal
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February 2006 |
Materials for next-generation desalination and water purification membranes
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journal
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April 2016 |
Designing the Next Generation of Chemical Separation Membranes
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journal
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May 2011 |
The relative insignificance of advanced materials in enhancing the energy efficiency of desalination technologies
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journal
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January 2020 |
Pathways and Challenges for Biomimetic Desalination Membranes with Sub-Nanometer Channels
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journal
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September 2020 |
Water Flow inside Polamide Reverse Osmosis Membranes: A Non-Equilibrium Molecular Dynamics Study
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journal
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February 2017 |
Membrane Technology and Applications
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book
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January 2004 |
Control of the Selectivity of the Aquaporin Water Channel Family by Global Orientational Tuning
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journal
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April 2002 |
Why Are Carbon Nanotubes Fast Transporters of Water?
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journal
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February 2008 |
Water conduction through the hydrophobic channel of a carbon nanotube
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journal
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November 2001 |
Thermodynamic insight into spontaneous hydration and rapid water permeation in aquaporins
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journal
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August 2014 |
Enhanced flow in carbon nanotubes
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journal
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November 2005 |
Molecular Origin of Fast Water Transport in Carbon Nanotube Membranes: Superlubricity versus Curvature Dependent Friction
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journal
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October 2010 |
Osmotic water transport through carbon nanotube membranes
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journal
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July 2003 |
Molecular Simulations of Water Transport Resistance in Polyamide RO Membranes: Interfacial and Interior Contributions
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journal
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May 2020 |
Effect of Hydrogen-Bonding Interaction on the Arrangement and Dynamics of Water Confined in a Polyamide Membrane: A Molecular Dynamics Simulation
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journal
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April 2018 |
MembrFactory: A Force Field and composition Double Independent Universal Tool for Constructing Polyamide Reverse Osmosis Membranes
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journal
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June 2019 |
Molecular dynamics simulation studies of the structure and antifouling performance of a gradient polyamide membrane
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journal
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January 2019 |
Dynamics of water and solute transport in polymeric reverse osmosis membranes via molecular dynamics simulations
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journal
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May 2016 |
Aromatic Polyamide Reverse-Osmosis Membrane: An Atomistic Molecular Dynamics Simulation
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journal
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September 2016 |
Understanding water and ion transport behaviour and permeability through poly(amide) thin film composite membrane
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journal
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August 2015 |
Hydration, porosity and water dynamics in the polyamide layer of reverse osmosis membranes: A molecular dynamics study
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journal
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March 2014 |
Structure and dynamics of water confined in a polyamide reverse-osmosis membrane: A molecular-simulation study
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journal
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May 2014 |
Molecular simulations of polyamide reverse osmosis membranes
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journal
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June 2014 |
Hydration of a polyamide reverse-osmosis membrane
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journal
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March 2016 |
A computational investigation of the properties of a reverse osmosis membrane
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journal
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January 2010 |
Molecular dynamics simulations of the interactions of potential foulant molecules and a reverse osmosis membrane
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journal
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January 2012 |
Molecular Dynamics Study of a Polymeric Reverse Osmosis Membrane
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journal
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July 2009 |
Computer simulations of water flux and salt permeability of the reverse osmosis FT-30 aromatic polyamide membrane
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journal
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November 2011 |
Atomistic simulation of water and salt transport in the reverse osmosis membrane FT-30
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journal
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February 1998 |
Molecular dynamics simulation study of the mechanisms of water diffusion in a hydrated, amorphous polyamide
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journal
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December 1999 |
Dynamic and weak electric double layers in ultrathin nanopores
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journal
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April 2021 |
Observation and Analysis of Water Transport through Graphene Oxide Interlamination
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journal
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January 2017 |
Revisiting Sampson's theory for hydrodynamic transport in ultrathin nanopores
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journal
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October 2020 |
Molecular methods for assessing the morphology, topology, and performance of polyamide membranes
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journal
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February 2022 |
Accelerated ReaxFF Simulations for Describing the Reactive Cross-Linking of Polymers
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journal
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July 2018 |
Mesoscopic and multiscale modelling in materials
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journal
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May 2021 |
Beyond the Molecular Frontier
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book
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March 2003 |
Multiscale modeling and simulation of polymer nanocomposites
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journal
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February 2008 |
Self-Consistent Equations Including Exchange and Correlation Effects
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journal
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November 1965 |
Designing polymeric membranes with coordination chemistry for high-precision ion separations
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journal
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March 2022 |
Machine learning in chemical reaction space
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journal
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October 2020 |
Proton transfer through the water gossamer
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journal
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July 2013 |
Coarse-Grained Protein Models and Their Applications
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journal
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June 2016 |
Tests of Continuum Theories as Models of Ion Channels. II. Poisson–Nernst–Planck Theory versus Brownian Dynamics
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journal
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May 2000 |
Permeation through an open channel: Poisson-Nernst-Planck theory of a synthetic ionic channel
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journal
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January 1997 |
Comparison of the Nernst–Planck model and the Poisson–Boltzmann model for electroosmotic flows in microchannels
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journal
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November 2007 |
Poisson–Boltzmann–Nernst–Planck model
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journal
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May 2011 |
Anomalously Immobilized Water: A New Water Phase Induced by Confinement in Nanotubes
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journal
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May 2003 |
Anomalously low dielectric constant of confined water
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journal
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June 2018 |
Anomalous Dielectric Behavior of Water in Ionic Newton Black Films
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journal
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June 2004 |
Strongly Anisotropic Dielectric Relaxation of Water at the Nanoscale
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journal
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July 2013 |
Universal Reduction in Dielectric Response of Confined Fluids
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journal
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September 2020 |
Ions in Solution and their Solvation
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book
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June 2015 |
The size and structure of selected hydrated ions and implications for ion channel selectivity
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journal
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January 2015 |
In Situ Characterization of Dehydration during Ion Transport in Polymeric Nanochannels
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journal
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August 2021 |
Membrane Materials for Selective Ion Separations at the Water–Energy Nexus
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journal
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August 2021 |
Machine learning reveals key ion selectivity mechanisms in polymeric membranes with subnanometer pores
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journal
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January 2022 |
Towards single-species selectivity of membranes with subnanometre pores
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journal
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June 2020 |
Intrapore energy barriers govern ion transport and selectivity of desalination membranes
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journal
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November 2020 |
New techniques for extreme conditions: high temperature reverse osmosis and nanofiltration
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journal
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June 1996 |
Practical aspects of sea water desalination by reverse osmosis
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journal
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June 1976 |
Engineering Li/Na selectivity in 12-Crown-4–functionalized polymer membranes
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journal
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September 2021 |
Membrane Charge Weakly Affects Ion Transport in Reverse Osmosis
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journal
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April 2020 |
Electrodiffusion Kinetics of Ionic Transport in a Simple Membrane Channel
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journal
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November 2013 |
Nanoscale Heterogeneity of Polyamide Membranes Formed by Interfacial Polymerization
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journal
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May 2003 |
Machine learning potentials for extended systems: a perspective
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journal
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July 2021 |
From Molecular Fragments to the Bulk: Development of a Neural Network Potential for MOF-5
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journal
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April 2019 |
Pushing the Limit of Molecular Dynamics with Ab Initio Accuracy to 100 Million Atoms with Machine Learning
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conference
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November 2020 |
Machine Learning Force Fields: Recent Advances and Remaining Challenges
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journal
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July 2021 |
ReaxFF: A Reactive Force Field for Hydrocarbons
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journal
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October 2001 |
The ReaxFF reactive force-field: development, applications and future directions
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journal
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March 2016 |
A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons
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journal
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January 2002 |
INDEEDopt: a deep learning-based ReaxFF parameterization framework
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journal
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May 2021 |
A Review of Enhanced Sampling Approaches for Accelerated Molecular Dynamics
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book
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January 2016 |
Simulations of the Biodegradation of Citrate-Based Polymers for Artificial Scaffolds Using Accelerated Reactive Molecular Dynamics
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journal
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June 2020 |
Enhanced sampling of chemical and biochemical reactions with metadynamics
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journal
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June 2014 |
Adaptively Accelerating Reactive Molecular Dynamics Using Boxed Molecular Dynamics in Energy Space
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journal
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July 2018 |
Accurate and scalable graph neural network force field and molecular dynamics with direct force architecture
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journal
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May 2021 |
Molybdenum disulfide and water interaction parameters
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journal
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September 2017 |
Diffusion constant of the TIP5P model of liquid water
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journal
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January 2001 |
Insights on the Role of Many-Body Polarization Effects in the Wetting of Graphitic Surfaces by Water
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journal
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December 2017 |
Selective Fluoride Transport in Subnanometer TiO 2 Pores
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journal
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October 2021 |
General-Purpose Machine Learning Potentials Capturing Nonlocal Charge Transfer
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journal
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January 2021 |
Ionization behavior of nanoporous polyamide membranes
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journal
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November 2020 |
Molecular simulations of polyamide membrane materials used in desalination and water reuse applications: Recent developments and future prospects
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journal
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February 2017 |
New parametrization method for salt permeability of reverse osmosis desalination membranes
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journal
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May 2022 |
On the structure and rejection of ions by a polyamide membrane in pressure-driven molecular dynamics simulations
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journal
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July 2015 |
Molecular Insights into the Composition–Structure–Property Relationships of Polyamide Thin Films for Reverse Osmosis Desalination
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journal
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May 2019 |
Effects of fixed charge group physicochemistry on anion exchange membrane permselectivity and ion transport
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journal
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January 2020 |
Increasing salt size selectivity in low water content polymers via polymer backbone dynamics
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journal
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April 2018 |
Architecturally Complex Polymers with Controlled Heterogeneity
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journal
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August 2011 |
Challenges and opportunities of polymer design with machine learning and high throughput experimentation
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journal
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May 2019 |
Machine learning for materials design and discovery
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journal
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February 2021 |
Emerging opportunities for nanotechnology to enhance water security
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journal
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August 2018 |
Hindered transport of large molecules in liquid-filled pores
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journal
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September 1987 |
The Donnan Membrane Equilibrium
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journal
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July 1943 |
Dielectric exclusion of ions from membranes
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journal
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March 2000 |
Volumen und Hydratationswärme der Ionen
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journal
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February 1920 |
Ion permeation in K+ channels occurs by direct Coulomb knock-on
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journal
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October 2014 |
The solution-diffusion model: a review
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journal
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November 1995 |
Reformulation of the solution-diffusion theory of reverse osmosis
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journal
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October 2004 |
Insights into the Water Transport Mechanism in Polymeric Membranes from Neutron Scattering
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journal
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February 2020 |
On the presence of solute-solvent transport coupling in reverse osmosis
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journal
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October 2020 |
True driving force and characteristics of water transport in osmotic membranes
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journal
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December 2021 |
Salt and Water Transport in Reverse Osmosis Membranes: Beyond the Solution-Diffusion Model
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journal
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December 2021 |
Tutorial review of reverse osmosis and electrodialysis
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journal
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April 2022 |
Theory of Ion and Water Transport in Reverse-Osmosis Membranes
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journal
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February 2018 |
Hydrodynamic boundary conditions, correlation functions, and Kubo relations for confined fluids
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journal
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April 1994 |
Time-Correlation Functions and Transport Coefficients in Statistical Mechanics
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journal
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October 1965 |
Nanofluidic Transport Theory with Enhancement Factors Approaching One
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journal
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December 2019 |