scholarly journals Molecular dynamics simulation of the spherical electrical double layer of a soft nanoparticle: Effect of the surface charge and counterion valence

2012 ◽  
Vol 137 (17) ◽  
pp. 174701 ◽  
Author(s):  
Miroslava Nedyalkova ◽  
Sergio Madurga ◽  
Stoyan Pisov ◽  
Isabel Pastor ◽  
Eudald Vilaseca ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Surface Charge ◽  
Double Layer ◽  
Electrical Double Layer ◽  
Dynamics Simulation ◽  
Nanoparticle Effect

scholarly journals Dynamic behaviour of the silica-water-bio electrical double layer in the presence of a divalent electrolyte

2017 ◽  
Vol 19 (4) ◽  
pp. 2687-2701 ◽  
Author(s):  
B. M. Lowe ◽  
Y. Maekawa ◽  
Y. Shibuta ◽  
T. Sakata ◽  
C.-K. Skylaris ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Charge Distribution ◽  
Double Layer ◽  
Electrical Double Layer ◽  
Electric Double Layer ◽  
Dynamic Behaviour ◽  
Dynamics Simulation ◽  
Mixed Electrolyte

Molecular dynamics simulation of the electric double layer at the silica-water-bio interface in mixed electrolyte. Water orientation and charge distribution showed a significant effect on the electrostatics at the interface.

scholarly journals Molecular dynamics simulation of potentiometric sensor response: the effect of biomolecules, surface morphology and surface charge

Nanoscale ◽  
2018 ◽  
Vol 10 (18) ◽  
pp. 8650-8666 ◽  
Author(s):  
B. M. Lowe ◽  
C.-K. Skylaris ◽  
N. G. Green ◽  
Y. Shibuta ◽  
T. Sakata
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Surface Morphology ◽  
Surface Charge ◽  
Response Prediction ◽  
Sensor Response ◽  
Ph Sensitivity ◽  
Potentiometric Sensor ◽  
Dynamics Simulation ◽  
Potentiometric Response

A molecular dynamics methodology for a detailed potentiometric response prediction is presented and silica's amorphicity was found to affect its pH sensitivity.

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