Quantification of Mono- and Multivalent Counterion-Mediated Bridging in Polyelectrolyte Brushes

2021 ◽  
Author(s):  
Turash Haque Pial ◽  
Harnoor Singh Sachar ◽  
Siddhartha Das
Keyword(s):  
Polyelectrolyte Brushes ◽  
Multivalent Counterion

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.

Low-Concentration Salt Solution Changes the Interfacial Molecular Behavior of Polyelectrolyte Brushes

2021 ◽  
Author(s):  
Yongsheng Luo ◽  
Chu Wang ◽  
Ai-Ping Pang ◽  
Xiang Zhang ◽  
Dayang Wang ◽  
...  
Keyword(s):  
Salt Solution ◽  
Low Concentration ◽  
Polyelectrolyte Brushes ◽  
Molecular Behavior ◽  
Solution Changes

scholarly journals Determination of the molar mass of surface-grafted weak polyelectrolyte brushes using force spectroscopy

Polymer ◽  
2015 ◽  
Vol 67 ◽  
pp. 111-117 ◽  
Author(s):  
Ateyyah AL-Baradi ◽  
Michael R. Tomlinson ◽  
Zhenyu J. Zhang ◽  
Mark Geoghegan
Keyword(s):  
Molar Mass ◽  
Force Spectroscopy ◽  
Polyelectrolyte Brushes

Effect of Counterion Binding to Swelling of Polyelectrolyte Brushes

Langmuir ◽  
2021 ◽  
Author(s):  
Chunda Ji ◽  
Chao Zhou ◽  
Bintao Zhao ◽  
Jingfa Yang ◽  
Jiang Zhao
Keyword(s):  
Counterion Binding ◽  
Polyelectrolyte Brushes

Enrichment and distribution of counterions in spherical polyelectrolyte brushes probed by SAXS

2019 ◽  
Vol 57 (12) ◽  
pp. 738-747 ◽  
Author(s):  
Zhishuang Ye ◽  
Li Li ◽  
Fang Zhao ◽  
Yuchuan Tian ◽  
Yunwei Wang ◽  
...  
Keyword(s):  
Polyelectrolyte Brushes ◽  
Spherical Polyelectrolyte Brushes

A Molecular Dynamics Study of Two Apposing Polyelectrolyte Brushes with Mono- and Multivalent Counterions

2009 ◽  
Vol 18 (7-8) ◽  
pp. 441-452 ◽  
Author(s):  
Qianqian Cao ◽  
Chuncheng Zuo ◽  
Hongwei He ◽  
Lujuan Li
Keyword(s):  
Molecular Dynamics ◽  
Polyelectrolyte Brushes
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