scholarly journals Effect of pH and Molecular Length on the Structure and Dynamics of Short Poly(acrylic acid) in Dilute Solution: Detailed Molecular Dynamics Study

2019 ◽  
Vol 123 (19) ◽  
pp. 4204-4219 ◽  
Author(s):  
Dimitris G. Mintis ◽  
Vlasis G. Mavrantzas
Keyword(s):  
Molecular Dynamics ◽  
Acrylic Acid ◽  
Dilute Solution ◽  
Effect Of Ph ◽  
Structure And Dynamics ◽  
Molecular Length ◽  
Poly Acrylic Acid

scholarly journals Molecular Dynamics Simulation to Understand the Ability of Anionic Polymers to Alter the Morphology of Calcite

2017 ◽  
Vol 2017 ◽  
pp. 1-7 ◽  
Author(s):  
Insil Choi ◽  
Il Won Kim
Keyword(s):  
Molecular Dynamics ◽  
Acrylic Acid ◽  
Methacrylic Acid ◽  
Dynamics Simulation ◽  
Magnesium Ions ◽  
Ethylene Imine ◽  
Anionic Polymers ◽  
Binding Behavior ◽  
Poly Ethylene ◽  
Poly Acrylic Acid

Molecular dynamics was utilized to investigate the ability of anionic macromolecules to drastically change the morphology of calcite in the presence of magnesium ions. Anionic poly(acrylic acid) and poly(methacrylic acid) were compared with cationic poly(ethylene imine) in their binding behavior on calcite (104) and (110) surfaces. Poly(acrylic acid) and poly(methacrylic acid) showed preferential binding on (110) with strong electrostatic attractions, whereas poly(ethylene imine) was only weakly attracted to (104). The extent of the charge imbalance on the surfaces appeared responsible for the current results, which originated from the deficient number of the coordinating oxygen atoms of carbonate around the surface calcium. The results of the current study were in accordance with the previous experimental observations, where the {hk0} surfaces of calcite were elongated under the coexistence of the anionic polymers and magnesium ions. These results could be generally utilized in the polymer-controlled crystallization with broad implications in the specific interactions with crystal surfaces.

Layer-by-layer assembly of poly (N-acryloyl-N'-propylpiperazine) and poly (acrylic acid): Effect of pH and temperature

2008 ◽  
Vol 516 (8) ◽  
pp. 2125-2129 ◽  
Author(s):  
Lei Chang ◽  
Xiangxi Kong ◽  
Fang Wang ◽  
Liyan Wang ◽  
Jiacong Shen
Keyword(s):  
Acrylic Acid ◽  
Layer By Layer ◽  
Effect Of Ph ◽  
Layer By Layer Assembly ◽  
Acid Effect ◽  
Layer Assembly ◽  
Poly Acrylic Acid

Structure and swelling of poly(acrylic acid) hydrogels: effect of pH, ionic strength, and dilution on the crosslinked polymer structure

Polymer ◽  
2004 ◽  
Vol 45 (5) ◽  
pp. 1503-1510 ◽  
Author(s):  
Jeannine E. Elliott ◽  
Mara Macdonald ◽  
Jun Nie ◽  
Christopher N. Bowman
Keyword(s):  
Ionic Strength ◽  
Acrylic Acid ◽  
Polymer Structure ◽  
Effect Of Ph ◽  
Crosslinked Polymer ◽  
Poly Acrylic Acid
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