Molecular Dynamic Simulation Approach to Understand the Physical and Proton Transport Properties of Chitosan/Sulfonated Poly(Vinyl Alcohol) Composite Membranes

Preparation and properties of chitosan/acidified attapulgite composite proton exchange membranes for fuel cell applications

(2020) Fuqiang Hu et al.   JOURNAL OF APPLIED POLYMER SCIENCE

A review of quaternized polyvinyl alcohol as an alternative polymeric membrane in DMFCs and DEFCs

(2020) Zulfirdaus Zakaria et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

Thermal Conductivity of Polyisoprene and Polybutadiene from Molecular Dynamics Simulations and Transient Measurements

(2020) Aleksandr Vasilev et al.   Polymers

Influences of crosslinked carboxylic acid monomers on the proton conduction characteristics of chitosan/SPVA composite membranes

(2020) Chun Yik Wong et al.   POLYMER

Proton Transport in Aluminum-Substituted Mesoporous Silica Channel-Embedded High-Temperature Anhydrous Proton-Exchange Membrane Fuel Cells

(2020) Kwangwon Seo et al.   Scientific Reports

Modeling and Simulations of Polymers: A Roadmap

(2019) Thomas E. Gartner et al.   MACROMOLECULES

Elucidating the impact of polymer crosslinking and fixed carrier on enhanced water transport during desalination using pervaporation membranes

(2019) Yun long Xue et al.   JOURNAL OF MEMBRANE SCIENCE

Development of Poly(Vinyl Alcohol)-Based Polymers as Proton Exchange Membranes and Challenges in Fuel Cell Application: A Review

(2019) Chun Yik Wong et al.   Polymer Reviews

Effect of external and internal plasticization on the glass transition temperature of (Meth)acrylate polymers studied with molecular dynamics simulations and calorimetry

(2019) Marco Klähn et al.   POLYMER

(PVA/Chitosan/Fucoidan)-Ampicillin: A Bioartificial Polymeric Material with Combined Properties in Cell Regeneration and Potential Antibacterial Features

(2019) Andres Bernal-Ballen et al.   Polymers

Proton conduction of fuel cell polymer membranes: Molecular dynamics simulation

(2018) Zhonghao Rao et al.   COMPUTATIONAL MATERIALS SCIENCE

Synthesis and performance of solid proton conductor molybdovanadosilicic acid

(2018) Zhirong Xie et al.   RSC Advances

Hydronium ions diffusion behavior in nafion membrane by mesoscopic simulation

(2018) Jianyu Xiao et al.   AIP Advances

High-performance sulfosuccinic acid cross-linked PVA composite pervaporation membrane for desalination

(2017) Rui Zhang et al.   ENVIRONMENTAL TECHNOLOGY

Chitosan:poly (vinyl) alcohol composite alkaline membrane incorporating organic ionomers and layered silicate materials into a PEM electrochemical reactor

(2016) Leticia García-Cruz et al.   JOURNAL OF MEMBRANE SCIENCE

The glass transition temperature measurements of polyethylene: determined by using molecular dynamic method

(2016) Qing Yang et al.   RSC Advances

Density Functional Theory of Polymer Structure and Conformations

(2016) Zhaoyang Wei et al.   Polymers

Evaluating the potential of chitosan/poly(vinyl alcohol) membranes as alternative carrier material for proliferation of Vero cells

(2015) Parul Sharma et al.   E-POLYMERS

Molecular dynamics simulations to calculate glass transition temperature and elastic constants of novel polyethers

(2015) Radhakrishnan Sarangapani et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Grotthuss mechanisms: from proton transport in proton wires to bioprotonic devices

(2015) Takeo Miyake et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Chitosan: An Update on Potential Biomedical and Pharmaceutical Applications

(2015) Randy Cheung et al.   Marine Drugs

The molecular simulation of the miscibility, mechanical properties and physical cross-linking behavior of the poly(vinyl alcohol)/poly(acrylic acid) composited membranes

(2015) Wei Zhao et al.   MOLECULAR SIMULATION

A Molecular Dynamic Simulation of Hydrated Proton Transfer in Perfluorosulfonate Ionomer Membranes (Nafion 117)

(2015) Hong Sun et al.   Journal of Chemistry

Historical Perspective of Advances in the Science and Technology of Polymer Blends

(2014) Lloyd Robeson   Polymers

The effect of cross linking density on the mechanical properties and structure of the epoxy polymers: molecular dynamics simulation

(2013) Ali Shokuhfar et al.   JOURNAL OF MOLECULAR MODELING

Molecular dynamics simulation study of proton diffusion in polymer electrolyte membranes based on sulfonated poly (ether ether ketone)

(2012) Ghasem Bahlakeh et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Preparation and characterization of polyvinyl alcohol/chitosan blended membrane for alkaline direct methanol fuel cells

(2012) Jen Ming Yang et al.   JOURNAL OF MEMBRANE SCIENCE

Water Soluble Polymers as Proton Exchange Membranes for Fuel Cells

(2012) Yun-Sheng Ye et al.   Polymers

Molecular dynamics simulations of side chain pendants of perfluorosulfonic acidpolymer electrolyte membranes

(2012) Anurag Prakash Sunda et al.   Journal of Materials Chemistry A

Molecular dynamics and mesoscopic dynamics simulations for prediction of miscibility in polypropylene/polyamide-11 blends

(2011) Yizheng Fu et al.   JOURNAL OF MOLECULAR STRUCTURE

Prediction of nitroxide spin labelEPR spectra from MD trajectories: application to myoglobin

(2010) Egidijus Kuprusevicius et al.   FARADAY DISCUSSIONS

Molecular dynamics simulation on glass transition temperature of isomeric polyimide

(2009) M. Li et al.   Express Polymer Letters

Proton Transfer and Proton Concentrations in Protonated Nafion Fuel Cell Membranes

(2009) D. B. Spry et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Electrochemical investigation of sulfonated poly(ether ether ketone)/clay nanocomposite membranes for moderate temperature fuel cell applications

(2009) Mohammad Mahdi Hasani-Sadrabadi et al.   JOURNAL OF POWER SOURCES

Molecular dynamics simulation of mixed matrix nanocomposites containing polyimide and polyhedral oligomeric silsesquioxane (POSS)

(2009) Yin Yani et al.   POLYMER

Properties and biocompatibility of chitosan films modified by blending with PVA and chemically crosslinked

(2008) Ezequiel de Souza Costa-Júnior et al.   JOURNAL OF MATERIALS SCIENCE-MATERIALS IN MEDICINE

Modelling of transport properties and state of water of polyelectrolytes containing various amounts of water

(2008) Jaana Ennari   POLYMER