Influence of pore morphology on the diffusion of water in triblock copolymer membranes

doi:10.1063/1.5128119

Title: Influence of pore morphology on the diffusion of water in triblock copolymer membranes

Authors:

Aryal, Dipak ^[1];

^[1];

^[1]; Antoine, Segolene ^[2];

^[2];

^[1];

^[1]

Department of Chemical Engineering, University of Texas at Austin, Austin, Texas 78712, USA
Department of Chemical Engineering, University of California, Santa Barbara, California 93106, USA

Publication Date:: 2020-01-07

Sponsoring Org.:: USDOE

OSTI Identifier:: 1581461

Grant/Contract Number:: SC0019272

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Journal of Chemical Physics

Additional Journal Information:: Journal Name: Journal of Chemical Physics Journal Volume: 152 Journal Issue: 1; Journal ID: ISSN 0021-9606

Publisher:: American Institute of Physics

Country of Publication:: United States

Language:: English

Citation Formats


                    Aryal, Dipak, Howard, Michael P., Samanta, Rituparna, Antoine, Segolene, Segalman, Rachel, Truskett, Thomas M., and Ganesan, Venkat. Influence of pore morphology on the diffusion of water in triblock copolymer membranes.  United States: N. p., 2020. 
        Web.  doi:10.1063/1.5128119.

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                    Aryal, Dipak, Howard, Michael P., Samanta, Rituparna, Antoine, Segolene, Segalman, Rachel, Truskett, Thomas M., & Ganesan, Venkat. Influence of pore morphology on the diffusion of water in triblock copolymer membranes.  United States.  doi:10.1063/1.5128119.

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                    Aryal, Dipak, Howard, Michael P., Samanta, Rituparna, Antoine, Segolene, Segalman, Rachel, Truskett, Thomas M., and Ganesan, Venkat. Tue .  
        "Influence of pore morphology on the diffusion of water in triblock copolymer membranes".  United States.  doi:10.1063/1.5128119.

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@article{osti_1581461,

  title        = {Influence of pore morphology on the diffusion of water in triblock copolymer membranes},

  author       = {Aryal, Dipak and Howard, Michael P. and Samanta, Rituparna and Antoine, Segolene and Segalman, Rachel and Truskett, Thomas M. and Ganesan, Venkat},

  abstractNote = {},

  doi          = {10.1063/1.5128119},

  journal      = {Journal of Chemical Physics},

  number       = 1,

  volume       = 152,

  place        = {United States},

  year         = {2020},

  month        = {1}

}

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DOI: 10.1063/1.5128119

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Title: Influence of pore morphology on the diffusion of water in triblock copolymer membranes

Citation Formats

Predicting the solution morphology of a sulfonated pentablock copolymer in binary solvent mixtures journal, September 2015

Simulating Microscopic Hydrodynamic Phenomena with Dissipative Particle Dynamics journal, June 1992

Bead–bead interaction parameters in dissipative particle dynamics: Relation to bead-size, solubility parameter, and surface tension journal, January 2004

Effect of Lithium-Ion Concentration on Morphology and Ion Transport in Single-Ion-Conducting Block Copolymer Electrolytes journal, September 2015

Multiscale Simulations of Lamellar PS–PEO Block Copolymers Doped with LiPF 6 Ions journal, May 2017

Hydrodynamic penetration into parabolic brushes journal, June 1991

Polymer brushes in solvents of variable quality: Molecular dynamics simulations using explicit solvent journal, August 2007

Influence of polymer flexibility on nanoparticle dynamics in semidilute solutions journal, January 2019

Diffusion in Lamellae, Cylinders, and Double Gyroid Block Copolymer Nanostructures journal, August 2018

Relationship between Ion Dissociation, Melt Morphology, and Electrochemical Performance of Lithium and Magnesium Single-Ion Conducting Block Copolymers journal, November 2016

SCFT Study of Nonfrustrated ABC Triblock Copolymer Melts journal, June 2007

Molecular simulation and experimental studies of the miscibility of polylactic acid/polyethylene glycol blends journal, December 2016

Morphological Behavior of Polystyrene -block- Polylactide/Polystyrene -block- Poly(ethylene oxide) Blends journal, August 2008

Homopolymer and small‐molecule tracer diffusion in a gyroid matrix journal, April 2001

Coupling of Nanoparticle Dynamics to Polymer Center-of-Mass Motion in Semidilute Polymer Solutions journal, February 2018

Noncontinuum effects in nanoparticle dynamics in polymers journal, June 2006

Effect of block copolymer morphology on crystallization and water transport journal, June 2017

Morphology and Conformation Analysis of Self-Assembled Triblock Copolymer Melts journal, July 2006

Parametrization of Chain Molecules in Dissipative Particle Dynamics journal, May 2016

Bidisperse Mixed Brushes: Synthesis and Study of Segregation in Selective Solvent journal, September 2003

Comparing the Energy Content of Batteries, Fuels, and Materials journal, March 2013

On the comparisons between dissipative particle dynamics simulations and self-consistent field calculations of diblock copolymer microphase separation journal, May 2013

Correlation between morphology and anisotropic transport properties of diblock copolymers melts journal, January 2019

Dynamic simulation of diblock copolymer microphase separation journal, May 1998

Fast Parallel Algorithms for Short-Range Molecular Dynamics journal, March 1995

Ion transport mechanisms in lamellar phases of salt-doped PS–PEO block copolymer electrolytes journal, January 2017

Dissipative particle dynamics: Bridging the gap between atomistic and mesoscopic simulation journal, September 1997

Calculations of Critical Micelle Concentration by Dissipative Particle Dynamics Simulations: The Role of Chain Rigidity journal, July 2013

Coarse-Grained Description of a Brush−Melt Interface in Equilibrium and under Flow journal, January 2009

Diffusion in nanoporous materials made from block copolymers journal, January 2006

Engineering Scale Simulation of Nonequilibrium Network Phases for Battery Electrolytes journal, February 2019

Impact of cross-linking of polymers on transport of salt and water in polyelectrolyte membranes: A mesoscopic simulation study journal, December 2018

Dynamics of Probe Diffusion in Rod Solutions journal, March 2008

Motion of a sphere near planar confining boundaries in a Brinkman medium journal, November 1998

Mobility of Nonsticky Nanoparticles in Polymer Liquids journal, October 2011

Block Copolymer Thermodynamics: Theory and Experiment journal, October 1990

Modeling Proton Dissociation and Transfer Using Dissipative Particle Dynamics Simulation journal, August 2015

Anomalous nanoparticle diffusion in polymer solutions and melts: A mode-coupling theory study journal, February 2011

Block Copolymers—Designer Soft Materials journal, February 1999

Structure–property relationship in sulfonated pentablock copolymers journal, March 2012

Noncontinuum effects on the mobility of nanoparticles in unentangled polymer solutions journal, August 2016

Block Copolymer Self-Diffusion in the Gyroid and Cylinder Morphologies journal, August 1998

Mesoporous Polystyrene Monoliths journal, February 2001

Predicting the solution morphology of a sulfonated pentablock copolymer in binary solvent mixtures
journal, September 2015

Simulating Microscopic Hydrodynamic Phenomena with Dissipative Particle Dynamics
journal, June 1992

Bead–bead interaction parameters in dissipative particle dynamics: Relation to bead-size, solubility parameter, and surface tension
journal, January 2004

Effect of Lithium-Ion Concentration on Morphology and Ion Transport in Single-Ion-Conducting Block Copolymer Electrolytes
journal, September 2015

Multiscale Simulations of Lamellar PS–PEO Block Copolymers Doped with LiPF ₆ Ions
journal, May 2017

Hydrodynamic penetration into parabolic brushes
journal, June 1991

Polymer brushes in solvents of variable quality: Molecular dynamics simulations using explicit solvent
journal, August 2007

Influence of polymer flexibility on nanoparticle dynamics in semidilute solutions
journal, January 2019

Diffusion in Lamellae, Cylinders, and Double Gyroid Block Copolymer Nanostructures
journal, August 2018

Relationship between Ion Dissociation, Melt Morphology, and Electrochemical Performance of Lithium and Magnesium Single-Ion Conducting Block Copolymers
journal, November 2016

SCFT Study of Nonfrustrated ABC Triblock Copolymer Melts
journal, June 2007

Molecular simulation and experimental studies of the miscibility of polylactic acid/polyethylene glycol blends
journal, December 2016

Morphological Behavior of Polystyrene -block- Polylactide/Polystyrene -block- Poly(ethylene oxide) Blends
journal, August 2008

Homopolymer and small‐molecule tracer diffusion in a gyroid matrix
journal, April 2001

Coupling of Nanoparticle Dynamics to Polymer Center-of-Mass Motion in Semidilute Polymer Solutions
journal, February 2018

Noncontinuum effects in nanoparticle dynamics in polymers
journal, June 2006

Effect of block copolymer morphology on crystallization and water transport
journal, June 2017

Morphology and Conformation Analysis of Self-Assembled Triblock Copolymer Melts
journal, July 2006

Parametrization of Chain Molecules in Dissipative Particle Dynamics
journal, May 2016

Bidisperse Mixed Brushes: Synthesis and Study of Segregation in Selective Solvent
journal, September 2003

Comparing the Energy Content of Batteries, Fuels, and Materials
journal, March 2013

On the comparisons between dissipative particle dynamics simulations and self-consistent field calculations of diblock copolymer microphase separation
journal, May 2013

Correlation between morphology and anisotropic transport properties of diblock copolymers melts
journal, January 2019

Dynamic simulation of diblock copolymer microphase separation
journal, May 1998

Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995

Ion transport mechanisms in lamellar phases of salt-doped PS–PEO block copolymer electrolytes
journal, January 2017

Dissipative particle dynamics: Bridging the gap between atomistic and mesoscopic simulation
journal, September 1997

Calculations of Critical Micelle Concentration by Dissipative Particle Dynamics Simulations: The Role of Chain Rigidity
journal, July 2013

Coarse-Grained Description of a Brush−Melt Interface in Equilibrium and under Flow
journal, January 2009

Diffusion in nanoporous materials made from block copolymers
journal, January 2006

Engineering Scale Simulation of Nonequilibrium Network Phases for Battery Electrolytes
journal, February 2019

Impact of cross-linking of polymers on transport of salt and water in polyelectrolyte membranes: A mesoscopic simulation study
journal, December 2018

Dynamics of Probe Diffusion in Rod Solutions
journal, March 2008

Motion of a sphere near planar confining boundaries in a Brinkman medium
journal, November 1998

Mobility of Nonsticky Nanoparticles in Polymer Liquids
journal, October 2011

Block Copolymer Thermodynamics: Theory and Experiment
journal, October 1990

Modeling Proton Dissociation and Transfer Using Dissipative Particle Dynamics Simulation
journal, August 2015

Anomalous nanoparticle diffusion in polymer solutions and melts: A mode-coupling theory study
journal, February 2011

Block Copolymers—Designer Soft Materials
journal, February 1999

Structure–property relationship in sulfonated pentablock copolymers
journal, March 2012

Noncontinuum effects on the mobility of nanoparticles in unentangled polymer solutions
journal, August 2016

Block Copolymer Self-Diffusion in the Gyroid and Cylinder Morphologies
journal, August 1998

Mesoporous Polystyrene Monoliths
journal, February 2001