Designing Highly Conductive Block Copolymer-Based Anion Exchange Membranes by Mesoscale Simulations
出版年份 2021 全文链接
标题
Designing Highly Conductive Block Copolymer-Based Anion Exchange Membranes by Mesoscale Simulations
作者
关键词
-
出版物
JOURNAL OF PHYSICAL CHEMISTRY B
Volume -, Issue -, Pages -
出版商
American Chemical Society (ACS)
发表日期
2021-03-10
DOI
10.1021/acs.jpcb.0c10909
参考文献
相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。- Designing Anion Exchange Membranes with Enhanced Hydroxide Ion Conductivity by Mesoscale Simulations
- (2020) Ming-Tsung Lee Journal of Physical Chemistry C
- Recent advances in particle-based simulation of surfactants
- (2020) Tseden Taddese et al. CURRENT OPINION IN COLLOID & INTERFACE SCIENCE
- Hydrophobic-hydrophilic comb-type quaternary ammonium-functionalized SEBS copolymers for high performance anion exchange membranes
- (2020) Abu Zafar Al Munsur et al. JOURNAL OF MEMBRANE SCIENCE
- Description of Hydroxide Ion Structural Diffusion in a Quaternized SEBS Anion Exchange Membrane Using Ab Initio Molecular Dynamics
- (2020) Sergio Castañeda et al. Journal of Physical Chemistry C
- A Surface Site Interaction Point Method for Dissipative Particle Dynamics Parametrization: Application to Alkyl Ethoxylate Surfactant Self-Assembly
- (2020) Ennio Lavagnini et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Mesoscale Simulations of Quaternary Ammonium-Tethered Triblock Copolymers: Effects of the Degree of Functionalization and Styrene Content
- (2020) Xubo Luo et al. Journal of Physical Chemistry C
- Materials Informatics with PoreBlazer v4.0 and the CSD MOF Database
- (2020) Lev Sarkisov et al. CHEMISTRY OF MATERIALS
- Synthesis of Aromatic Anion Exchange Membranes by Friedel–Crafts Bromoalkylation and Cross-Linking of Polystyrene Block Copolymers
- (2019) Jong Yeob Jeon et al. MACROMOLECULES
- Effect of Polymer Architecture on the Nanophase Segregation, Ionic Conductivity, and Electro-Osmotic Drag of Anion Exchange Membranes
- (2019) Jibao Lu et al. Journal of Physical Chemistry C
- Ab Initio Molecular Dynamics Study of Hydroxide Diffusion Mechanisms in Nanoconfined Structural Mimics of Anion Exchange Membranes
- (2019) Tamar Zelovich et al. Journal of Physical Chemistry C
- A Quasielastic Neutron Scattering Study of Exchanging Localized- and Extended Water Diffusion in Model Anion Exchange Membranes
- (2019) Jan-Patrick Melchior et al. Journal of Physical Chemistry C
- Exploring Side-Chain Designs for Enhanced Ion Conductivity of Anion-Exchange Membranes by Mesoscale Simulations
- (2019) Ming-Tsung Lee Journal of Physical Chemistry C
- Development of Highly Alkaline Stable OH–-Conductors Based on Imidazolium Cations with Various Substituents for Anion Exchange Membrane-Based Alkaline Fuel Cells
- (2019) Boryeon Lee et al. Journal of Physical Chemistry C
- Poly(olefin)-Based Anion Exchange Membranes Prepared Using Ziegler–Natta Polymerization
- (2019) Liang Zhu et al. MACROMOLECULES
- Hydroxide Ion Diffusion in Anion-Exchange Membranes at Low Hydration: Insights from Ab Initio Molecular Dynamics
- (2019) Tamar Zelovich et al. CHEMISTRY OF MATERIALS
- Effect of Carbonate Anions on Quaternary Ammonium-Hydroxide Interaction
- (2019) Simcha Srebnik et al. Journal of Physical Chemistry C
- Effect of Ammonium Cations on the Diffusivity and Structure of Hydroxide Ions in Low Hydration Media
- (2019) I. Zadok et al. Journal of Physical Chemistry C
- On the origin of permanent performance loss of anion exchange membrane fuel cells: Electrochemical oxidation of phenyl group
- (2019) Sandip Maurya et al. JOURNAL OF POWER SOURCES
- Alkaline-stable anion exchange membranes: A review of synthetic approaches
- (2019) Wei You et al. PROGRESS IN POLYMER SCIENCE
- DPD simulations of anion exchange membranes functionalized with various cationic groups and associated anions
- (2019) Zhenghao Zhu et al. SOLID STATE IONICS
- DPD simulations of anion exchange membrane: The effect of an alkyl spacer on the hydrated morphology
- (2019) Xubo Luo et al. SOLID STATE IONICS
- Constructing the phase diagram of sodium laurylethoxysulfate using dissipative particle dynamics
- (2019) Maria Panoukidou et al. JOURNAL OF COLLOID AND INTERFACE SCIENCE
- Model Long Side-Chain PPO-Based Anion Exchange Ionomers: Properties and Alkaline Stability
- (2019) R.-A. Becerra-Arciniegas et al. Journal of Physical Chemistry C
- Coarse-grained model of nanoscale segregation, water diffusion, and proton transport in Nafion membranes
- (2018) Aleksey Vishnyakov et al. JOURNAL OF CHEMICAL PHYSICS
- Micelle Formation in Alkyl Sulfate Surfactants Using Dissipative Particle Dynamics
- (2018) Richard L. Anderson et al. Journal of Chemical Theory and Computation
- A review of the synthesis and characterization of anion exchange membranes
- (2018) Kimberly F. L. Hagesteijn et al. JOURNAL OF MATERIALS SCIENCE
- Mid-block Quaternized Polystyrene-b-Polybutadiene-b-Polystyrene Triblock Copolymers as Anion Exchange Membranes
- (2018) Lei Liu et al. JOURNAL OF MEMBRANE SCIENCE
- Molecular Simulation of Quaternary Ammonium Solutions at Low Hydration Levels
- (2018) Srdjan Pusara et al. Journal of Physical Chemistry C
- Grotthuss versus Vehicular Transport of Hydroxide in Anion-Exchange Membranes: Insight from Combined Reactive and Nonreactive Molecular Simulations
- (2018) Dengpan Dong et al. Journal of Physical Chemistry Letters
- Exploring backbone-cation alkyl spacers for multi-cation side chain anion exchange membranes
- (2018) Liang Zhu et al. JOURNAL OF POWER SOURCES
- Anion exchange membrane fuel cells: Current status and remaining challenges
- (2018) Shimshon Gottesfeld et al. JOURNAL OF POWER SOURCES
- Review of cell performance in anion exchange membrane fuel cells
- (2018) Dario R. Dekel JOURNAL OF POWER SOURCES
- Water Uptake Study of Anion Exchange Membranes
- (2018) Yiwei Zheng et al. MACROMOLECULES
- Ion Diffusion Coefficients in Ion Exchange Membranes: Significance of Counterion Condensation
- (2018) Jovan Kamcev et al. MACROMOLECULES
- Role of cationic groups on structural and dynamical correlations in hydrated quaternary ammonium-functionalized poly(p-phenylene oxide)-based anion exchange membranes
- (2018) Dengpan Dong et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Chemical stability of poly(phenylene oxide)-based ionomers in an anion exchange-membrane fuel cell environment
- (2018) Sapir Willdorf-Cohen et al. Journal of Materials Chemistry A
- Poly(2,6-dimethyl-1,4-phenylene oxide)s with Various Head Groups: Effect of Head Groups on the Properties of Anion Exchange Membranes
- (2018) Haeryang Lim et al. ACS Applied Materials & Interfaces
- Impact of cross-linking of polymers on transport of salt and water in polyelectrolyte membranes: A mesoscopic simulation study
- (2018) Dipak Aryal et al. JOURNAL OF CHEMICAL PHYSICS
- Multiscale Tortuous Diffusion in Anion and Cation Exchange Membranes
- (2018) Lam M. Thieu et al. MACROMOLECULES
- Multiscale Modeling of Structure, Transport and Reactivity in Alkaline Fuel Cell Membranes: Combined Coarse-Grained, Atomistic and Reactive Molecular Dynamics Simulations
- (2018) Dengpan Dong et al. Polymers
- Dissipative particle dynamics: Systematic parametrization using water-octanol partition coefficients
- (2017) Richard L. Anderson et al. JOURNAL OF CHEMICAL PHYSICS
- Perspective: Dissipative particle dynamics
- (2017) Pep Español et al. JOURNAL OF CHEMICAL PHYSICS
- Comb-shaped guanidinium functionalized poly(ether sulfone)s for anion exchange membranes: Effects of the spacer types and lengths
- (2017) Ying Chen et al. JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY
- Anion Exchange Membranes Based on Polystyrene- Block -Poly(ethylene- ran -butylene)- Block -Polystyrene Triblock Copolymers: Cation Stability and Fuel Cell Performance
- (2017) Zhongyang Wang et al. JOURNAL OF THE ELECTROCHEMICAL SOCIETY
- Polystyrene- Block -Poly(ethylene- ran -butylene)- Block -Polystyrene Triblock Copolymer Separators for a Vanadium-Cerium Redox Flow Battery
- (2017) Zhongyang Wang et al. JOURNAL OF THE ELECTROCHEMICAL SOCIETY
- Thermochemical Stability Study of Alkyl-Tethered Quaternary Ammonium Cations for Anion Exchange Membrane Fuel Cells
- (2017) Angela D. Mohanty et al. JOURNAL OF THE ELECTROCHEMICAL SOCIETY
- Mesoscale Simulations of Anion Exchange Membranes Based on Quaternary Ammonium Tethered Triblock Copolymers
- (2017) Fatemeh Sepehr et al. MACROMOLECULES
- Parameterization of a coarse-grained model with short-ranged interactions for modeling fuel cell membranes with controlled water uptake
- (2017) Jibao Lu et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Poly(terphenylene) Anion Exchange Membranes: The Effect of Backbone Structure on Morphology and Membrane Property
- (2017) Woo-Hyung Lee et al. ACS Macro Letters
- Highly anion conductive, alkyl-chain-grafted copolymers as anion exchange membranes for operable alkaline H2/O2 fuel cells
- (2017) Cheng Yang et al. Journal of Materials Chemistry A
- Coarse-grained model of water diffusion and proton conductivity in hydrated polyelectrolyte membrane
- (2016) Ming-Tsung Lee et al. JOURNAL OF CHEMICAL PHYSICS
- High-Resolution Coarse-Grained Model of Hydrated Anion-Exchange Membranes that Accounts for Hydrophobic and Ionic Interactions through Short-Ranged Potentials
- (2016) Jibao Lu et al. Journal of Chemical Theory and Computation
- Toward a Standard Protocol for Micelle Simulation
- (2016) Michael A. Johnston et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Parametrization of Chain Molecules in Dissipative Particle Dynamics
- (2016) Ming-Tsung Lee et al. JOURNAL OF PHYSICAL CHEMISTRY B
- The Priority and Challenge of High-Power Performance of Low-Platinum Proton-Exchange Membrane Fuel Cells
- (2016) Anusorn Kongkanand et al. Journal of Physical Chemistry Letters
- Hydroxide Solvation and Transport in Anion Exchange Membranes
- (2016) Chen Chen et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Side Chain Influence on the Mechanical Properties and Water Uptake of Confined Comb-Shaped Cationic Polymer Thin Films
- (2016) Douglas I. Kushner et al. MACROMOLECULAR CHEMISTRY AND PHYSICS
- Modeling Proton Dissociation and Transfer Using Dissipative Particle Dynamics Simulation
- (2015) Ming-Tsung Lee et al. Journal of Chemical Theory and Computation
- Exploring Different Cationic Alkyl Side Chain Designs for Enhanced Alkaline Stability and Hydroxide Ion Conductivity of Anion-Exchange Membranes
- (2015) Hai-Son Dang et al. MACROMOLECULES
- Poly(phenylene oxide) functionalized with quaternary ammonium groups via flexible alkyl spacers for high-performance anion exchange membranes
- (2015) Hai-Son Dang et al. Journal of Materials Chemistry A
- Anion-exchange membranes in electrochemical energy systems
- (2014) John R. Varcoe et al. Energy & Environmental Science
- Screening properties of four mesoscale smoothed charge models, with application to dissipative particle dynamics
- (2014) Patrick B. Warren et al. JOURNAL OF CHEMICAL PHYSICS
- Constructing ionic highway in alkaline polymer electrolytes
- (2013) Jing Pan et al. Energy & Environmental Science
- Screening properties of Gaussian electrolyte models, with application to dissipative particle dynamics
- (2013) Patrick B. Warren et al. JOURNAL OF CHEMICAL PHYSICS
- Calculations of Critical Micelle Concentration by Dissipative Particle Dynamics Simulations: The Role of Chain Rigidity
- (2013) Ming-Tsung Lee et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Prediction of the Critical Micelle Concentration of Nonionic Surfactants by Dissipative Particle Dynamics Simulations
- (2013) Aleksey Vishnyakov et al. Journal of Physical Chemistry Letters
- Highly Stable, Anion Conductive, Comb-Shaped Copolymers for Alkaline Fuel Cells
- (2013) Nanwen Li et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- DL_MESO: highly scalable mesoscale simulations
- (2013) Michael A. Seaton et al. MOLECULAR SIMULATION
- Comb-shaped polymers to enhance hydroxide transport in anion exchange membranes
- (2012) Nanwen Li et al. Energy & Environmental Science
- Hydroxide based decomposition pathways of alkyltrimethylammonium cations
- (2012) Joseph B. Edson et al. JOURNAL OF MEMBRANE SCIENCE
- Anion exchange membranes for alkaline fuel cells: A review
- (2011) Géraldine Merle et al. JOURNAL OF MEMBRANE SCIENCE
- Aqueous Basic Solutions: Hydroxide Solvation, Structural Diffusion, and Comparison to the Hydrated Proton
- (2010) Dominik Marx et al. CHEMICAL REVIEWS
- Mechanism of Tetraalkylammonium Headgroup Degradation in Alkaline Fuel Cell Membranes
- (2008) Shaji Chempath et al. Journal of Physical Chemistry C
- Decomposition pathways of an alkaline fuel cell membrane material component via evolved gas analysis
- (2008) C. S. Macomber et al. JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now