scholarly journals Molecular dynamics simulations of concentrated aqueous electrolyte solutions

2011 ◽  
Vol 37 (2) ◽  
pp. 123-134 ◽  
Author(s):  
Carles Calero ◽  
Jordi Faraudo ◽  
Marcel Aguilella-Arzo
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Aqueous Electrolyte ◽  
Electrolyte Solutions ◽  
Aqueous Electrolyte Solutions ◽  
Dynamics Simulations

Molecular Dynamics Simulations of Electrolyte Solutions at the (100) Goethite Surface

2006 ◽  
Vol 110 (41) ◽  
pp. 20491-20501 ◽  
Author(s):  
Sebastien Kerisit ◽  
Eugene S. Ilton ◽  
Stephen C. Parker
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Electrolyte Solutions ◽  
Dynamics Simulations

scholarly journals Aggregation behavior of cetyldimethylethylammonium bromide under the influence of bovine serum albumin in aqueous/electrolyte solutions at various temperatures and compositions: conductivity and molecular dynamics study

RSC Advances ◽  
2019 ◽  
Vol 9 (12) ◽  
pp. 6556-6567 ◽  
Author(s):  
Md. Farid Ahmed ◽  
Mohammad Robel Molla ◽  
Mousumi Saha ◽  
Imrul Shahriar ◽  
Mohammad Saidur Rahman ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Bovine Serum Albumin ◽  
Serum Albumin ◽  
Bovine Serum ◽  
Aqueous Electrolyte ◽  
Electrolyte Solutions ◽  
Aggregation Behavior ◽  
Aqueous Electrolyte Solutions ◽  
Molecular Dynamics Methods

Herein, we have investigated the interaction of bovine serum albumin with a cetyldimethylethylammonium bromide,viaa conductivity and molecular dynamics methods in the absence/presence of electrolyte solutions.

scholarly journals Electrokinetic flow of an aqueous electrolyte in amorphous silica nanotubes

2018 ◽  
Vol 20 (44) ◽  
pp. 27838-27848 ◽  
Author(s):  
Christopher D. Daub ◽  
Natalie M. Cann ◽  
D. Bratko ◽  
Alenka Luzar
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Amorphous Silica ◽  
Aqueous Electrolyte ◽  
Nonequilibrium Molecular Dynamics ◽  
Molecular Models ◽  
Electrokinetic Flow ◽  
Silica Nanotubes ◽  
Dynamics Simulations ◽  
Pressure Driven Flow

We study the pressure-driven flow of aqueous NaCl in amorphous silica nanotubes using nonequilibrium molecular dynamics simulations featuring both polarizable and non-polarizable molecular models.

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