Structural and conformational properties of polybenzimidazoles in melt and phosphoric acid solution: a polyelectrolyte membrane for fuel cells

RSC Advances ◽  
2016 ◽  
Vol 6 (10) ◽  
pp. 8211-8221 ◽  
Author(s):  
Swagata Pahari ◽  
Sudip Roy
Keyword(s):  
Molecular Dynamics ◽  
Phosphoric Acid ◽  
Acid Solution ◽  
Conformational Analysis ◽  
Molecular Dynamics Simulations ◽  
Phosphoric Acid Solution ◽  
Single Chain ◽  
Conformational Properties ◽  
Polyelectrolyte Membrane ◽  
Dynamics Simulations

In this work, a single chain conformational analysis of poly[2,2′-(p-phenylene)-5,5′-bibenzimidazole (PBI) and poly(2,5-benzimidazole) (ABPBI) in melt as well as in PA was performed using classical molecular dynamics simulations.

Conformational analysis and molecular dynamics simulations of maltose

Biopolymers ◽  
1988 ◽  
Vol 27 (12) ◽  
pp. 1927-1952 ◽  
Author(s):  
S. N. Ha ◽  
L. J. Madsen ◽  
J. W. Brady
Keyword(s):  
Molecular Dynamics ◽  
Conformational Analysis ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations
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