Fluorine-Free Precise Polymer Electrolyte for Efficient Proton Transport: Experiments and Simulations

Percolated Ionic Aggregate Morphologies and Decoupled Ion Transport in Precise Sulfonated Polymers Synthesized by Ring-Opening Metathesis Polymerization

(2020) Benjamin A. Paren et al.   MACROMOLECULES

Molecular engineering of hydrocarbon membrane to substitute perfluorinated sulfonic acid membrane for proton exchange membrane fuel cell operation

(2020) G.H. Byun et al.   Materials Today Energy

Impact of Hydration and Sulfonation on the Morphology and Ionic Conductivity of Sulfonated Poly(phenylene) Proton Exchange Membranes

(2019) Eric G. Sorte et al.   MACROMOLECULES

The evolution of acidic and ionic aggregates in ionomers during microsecond simulations

(2019) Amalie L. Frischknecht et al.   JOURNAL OF CHEMICAL PHYSICS

Viscoelastic, Mechanical, and Glasstomeric Properties of Precision Polyolefins Containing a Phenyl Branch at Every Five Carbons

(2018) Robert J. Kieber et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Water channel morphology of non-perfluorinated hydrocarbon proton exchange membrane under a low humidifying condition

(2018) Chi Hoon Park et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Precision Polyelectrolytes with Phenylsulfonic Acid Branches at Every Five Carbons

(2018) Aaron Kendrick et al.   MACROMOLECULAR RAPID COMMUNICATIONS

Self-assembled highly ordered acid layers in precisely sulfonated polyethylene produce efficient proton transport

(2018) Edward B. Trigg et al.   NATURE MATERIALS

Nanoscale Structure and Morphology of Sulfonated Polyphenylenes via Atomistic Simulations

(2017) Lauren J. Abbott et al.   MACROMOLECULES

A Precision Ethylene-Styrene Copolymer with High Styrene Content from Ring-Opening Metathesis Polymerization of 4-Phenylcyclopentene

(2016) William J. Neary et al.   MACROMOLECULAR RAPID COMMUNICATIONS

Heterogeneous Chain Dynamics and Aggregate Lifetimes in Precise Acid-Containing Polyethylenes: Experiments and Simulations

(2016) L. Robert Middleton et al.   MACROMOLECULES

Proton Transport in Electrospun Hybrid Organic-Inorganic Membranes: An Illuminating Paradox

(2015) Leslie Dos Santos et al.   ADVANCED FUNCTIONAL MATERIALS

Direct Comparisons of X-ray Scattering and Atomistic Molecular Dynamics Simulations for Precise Acid Copolymers and Ionomers

(2015) C. Francisco Buitrago et al.   MACROMOLECULES

Morphology of Hydrated As-Cast Nafion Revealed through Cryo Electron Tomography

(2014) Frances I. Allen et al.   ACS Macro Letters

A Critical Revision of the Nano-Morphology of Proton Conducting Ionomers and Polyelectrolytes for Fuel Cell Applications

(2013) Klaus-Dieter Kreuer et al.   ADVANCED FUNCTIONAL MATERIALS

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

Optimization of the OPLS-AA Force Field for Long Hydrocarbons

(2012) Shirley W. I. Siu et al.   Journal of Chemical Theory and Computation

Role of Mechanical Factors in Controlling the Structure–Function Relationship of PFSA Ionomers

(2012) Ahmet Kusoglu et al.   MACROMOLECULES

Properties and degradation of hydrocarbon fuel cell membranes: a comparative study of sulfonated poly(arylene ether sulfone)s with different positions of the acid groups

(2012) Shogo Takamuku et al.   Polymer Chemistry

Environmental chamber for in situ dynamic control of temperature and relative humidity during x-ray scattering

(2012) David Salas-de la Cruz et al.   REVIEW OF SCIENTIFIC INSTRUMENTS

Graft-crosslinked Copolymers Based on Poly(arylene ether ketone)-gc-sulfonated Poly(arylene ether sulfone) for PEMFC Applications

(2011) Xuan Zhang et al.   MACROMOLECULAR RAPID COMMUNICATIONS

Synthesis and Characterization of Highly Fluorinated Cross-linked Aromatic Polyethers for Polymer Electrolytes

(2010) Kwan-Soo Lee et al.   CHEMISTRY OF MATERIALS

Electronic Continuum Model for Molecular Dynamics Simulations of Biological Molecules

(2010) I. V. Leontyev et al.   Journal of Chemical Theory and Computation

Phase Separation and Water Channel Formation in Sulfonated Block Copolyimide

(2010) Chi Hoon Park et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Nanoscale Morphology in Precisely Sequenced Poly(ethylene-co-acrylic acid) Zinc Ionomers

(2010) Michelle E. Seitz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Physical and electrochemical behaviors of directly polymerized sulfonated poly(arylene ether ketone sulfone)s proton exchange membranes with different backbone structures

(2009) Zhe Wang et al.   JOURNAL OF APPLIED POLYMER SCIENCE

Consistent van der Waals Radii for the Whole Main Group

(2009) Manjeera Mantina et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Self-diffusion coefficients for water and organic solvents at high temperatures along the coexistence curve

(2008) Ken Yoshida et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Force Field for Ionic Liquids IV:  Trialkylimidazolium and Alkoxycarbonyl-Imidazolium Cations; Alkylsulfonate and Alkylsulfate Anions

(2008) José N. Canongia Lopes et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Comparison of the Hydration and Diffusion of Protons in Perfluorosulfonic Acid Membranes with Molecular Dynamics Simulations

(2008) Shengting Cui et al.   JOURNAL OF PHYSICAL CHEMISTRY B