Insight from molecular modelling: does the polymer side chain length matter for transport properties of perfluorosulfonic acid membranes?

2012 ◽  
Vol 14 (32) ◽  
pp. 11281 ◽  
Author(s):  
Ram Devanathan ◽  
Michel Dupuis
Keyword(s):  
Transport Properties ◽  
Chain Length ◽  
Molecular Modelling ◽  
Side Chain ◽  
Perfluorosulfonic Acid ◽  
Side Chain Length ◽  
Perfluorosulfonic Acid Membranes

Effects of side-chain length on the charge transport properties of discotic liquid crystals and their implications for the transport mechanism

1995 ◽  
Vol 5 (12) ◽  
pp. 2161 ◽  
Author(s):  
Ekaterina O. Arikainen ◽  
Neville Boden ◽  
Richard J. Bushby ◽  
Jonathan Clements ◽  
Bijan Movaghar ◽  
...  
Keyword(s):  
Liquid Crystals ◽  
Charge Transport ◽  
Transport Properties ◽  
Chain Length ◽  
Transport Mechanism ◽  
Side Chain ◽  
Discotic Liquid Crystals ◽  
Side Chain Length

Effect of side-chain length on the electrospinning of perfluorosulfonic acid ionomers

2012 ◽  
Vol 51 (1) ◽  
pp. 118-128 ◽  
Author(s):  
Surya Subianto ◽  
Sara Cavaliere ◽  
Deborah J. Jones ◽  
Jacques Rozière
Keyword(s):  
Chain Length ◽  
Side Chain ◽  
Perfluorosulfonic Acid ◽  
Side Chain Length

Morphology and Electrochemical Properties of Perfluorosulfonic Acid Ionomers for Vanadium Flow Battery Applications: Effect of Side-Chain Length

ChemSusChem ◽  
2013 ◽  
Vol 6 (7) ◽  
pp. 1262-1269 ◽  
Author(s):  
Cong Ding ◽  
Huamin Zhang ◽  
Xianfeng Li ◽  
Hongzhang Zhang ◽  
Chuan Yao ◽  
...  
Keyword(s):  
Electrochemical Properties ◽  
Chain Length ◽  
Side Chain ◽  
Flow Battery ◽  
Perfluorosulfonic Acid ◽  
Side Chain Length

scholarly journals Effect of Alkyl Side Chain Length on Doping Kinetics, Thermopower, and Charge Transport Properties in Highly Oriented F4TCNQ-Doped PBTTT Films

2019 ◽  
Vol 11 (5) ◽  
pp. 4942-4953 ◽  
Author(s):  
Vishnu Vijayakumar ◽  
Elena Zaborova ◽  
Laure Biniek ◽  
Huiyan Zeng ◽  
Laurent Herrmann ◽  
...  
Keyword(s):  
Charge Transport ◽  
Transport Properties ◽  
Chain Length ◽  
Side Chain ◽  
Alkyl Side Chain ◽  
Side Chain Length

scholarly journals Effects of Amino Acid Side-Chain Length and Chemical Structure on Anionic Polyglutamic and Polyaspartic Acid Cellulose-Based Polyelectrolyte Brushes

Polymers ◽  
2021 ◽  
Vol 13 (11) ◽  
pp. 1789
Author(s):  
Dmitry Tolmachev ◽  
George Mamistvalov ◽  
Natalia Lukasheva ◽  
Sergey Larin ◽  
Mikko Karttunen
Keyword(s):  
Glutamic Acid ◽  
Chain Length ◽  
Chemical Structure ◽  
Side Chain ◽  
Side Chains ◽  
Side Chain Length ◽  
Polyelectrolyte Brushes ◽  
Grafting Density ◽  
The Difference ◽  
Cellulose Surface

We used atomistic molecular dynamics (MD) simulations to study polyelectrolyte brushes based on anionic α,L-glutamic acid and α,L-aspartic acid grafted on cellulose in the presence of divalent CaCl2 salt at different concentrations. The motivation is to search for ways to control properties such as sorption capacity and the structural response of the brush to multivalent salts. For this detailed understanding of the role of side-chain length, the chemical structure and their interplay are required. It was found that in the case of glutamic acid oligomers, the longer side chains facilitate attractive interactions with the cellulose surface, which forces the grafted chains to lie down on the surface. The additional methylene group in the side chain enables side-chain rotation, enhancing this effect. On the other hand, the shorter and more restricted side chains of aspartic acid oligomers prevent attractive interactions to a large degree and push the grafted chains away from the surface. The difference in side-chain length also leads to differences in other properties of the brush in divalent salt solutions. At a low grafting density, the longer side chains of glutamic acid allow the adsorbed cations to be spatially distributed inside the brush resulting in a charge inversion. With an increase in grafting density, the difference in the total charge of the aspartic and glutamine brushes disappears, but new structural features appear. The longer sides allow for ion bridging between the grafted chains and the cellulose surface without a significant change in main-chain conformation. This leads to the brush structure being less sensitive to changes in salt concentration.

Sign in / Sign up

Export Citation Format

Share Document