New Structural Model of PANI/CSA Conducting Polymer System Obtained by Molecular Dynamics Simulations

2015 ◽  
Vol 24 (4) ◽  
pp. 284-290 ◽  
Author(s):  
Maciej Śniechowski ◽  
Remigiusz Borek ◽  
Konrad Piwowarczyk ◽  
Wojciech Łużny
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Conducting Polymer ◽  
Structural Model ◽  
Polymer System ◽  
Dynamics Simulations

scholarly journals A modified random network model for P2O5–Na2O–Al2O3–SiO2 glass studied by molecular dynamics simulations

RSC Advances ◽  
2021 ◽  
Vol 11 (12) ◽  
pp. 7025-7036
Author(s):  
Yaxian Zhao ◽  
Jincheng Du ◽  
Xin Cao ◽  
Chong Zhang ◽  
Gang Xu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Network Model ◽  
Structural Model ◽  
Random Network ◽  
Sio2 Glass ◽  
Sodium Aluminosilicate ◽  
Aluminosilicate Glasses ◽  
Dynamics Simulations ◽  
Glass Compositions

(A) A modified structural model proposed for P2O5-bearing sodium aluminosilicate glasses. (B) Degree of preferred connection (DPC) of different T–O–T network linkage for LAP, MAP and HAP glass compositions with various P2O5 content.

scholarly journals A molecular dynamics study on glucose molecular recognition by a non-enzymatic selective sensor based on a conducting polymer

2019 ◽  
Vol 21 (15) ◽  
pp. 8099-8107 ◽  
Author(s):  
David Zanuy ◽  
Georgina Fabregat ◽  
Carlos A. Ferreira ◽  
Carlos Alemán
Keyword(s):  
Molecular Dynamics ◽  
Molecular Recognition ◽  
Molecular Dynamics Simulations ◽  
Conducting Polymer ◽  
Selective Detection ◽  
Detection Mechanism ◽  
Dynamics Simulations ◽  
Selective Sensor

Atomistic molecular dynamics simulations have been used to ascertain the selective detection mechanism of glucose by poly(hydroxymethyl-3,4-ethylenedioxythiophene).

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