scholarly journals Surfactant adsorption at liquid/liquid interfaces Comparison of experimental results with self-consistent field lattice calculations and molecular dynamics simulations

1993 ◽  
Vol 81 ◽  
pp. 217-229 ◽  
Author(s):  
N.M. Van Os ◽  
L.A.M. Rupert ◽  
B. Smit ◽  
P.A.J. Hilbers ◽  
K. Esselink ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Experimental Results ◽  
Surfactant Adsorption ◽  
Liquid Interfaces ◽  
Consistent Field ◽  
Self Consistent ◽  
Lattice Calculations ◽  
Self Consistent Field ◽  
Dynamics Simulations

Coarse graining and adsorption in bottlebrush--colloid mixtures

Soft Matter ◽  
2021 ◽  
Author(s):  
Pietro Corsi ◽  
Álvaro González García ◽  
Elia Roma ◽  
Tecla Gasperi ◽  
Barbara Capone
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Binary Mixtures ◽  
Coarse Graining ◽  
Adsorption Properties ◽  
Consistent Field ◽  
Self Consistent ◽  
Theoretical Predictions ◽  
Self Consistent Field ◽  
Dynamics Simulations

We study the adsorption properties in bottlebrushes/colloids binary mixtures, by combining scaling theories, theoretical predictions, Self-Consistent Field Computations (SCFC), and Molecular Dynamics simulations. In particular, we focus on adsorption in...

scholarly journals Molecular Dynamics Simulations of Liquid-Liquid Interfaces in an Electric Field: the Water-1,2-Dichloroethane Interface

2020 ◽  
Author(s):  
Paolo Raiteri ◽  
Peter Kraus ◽  
Julian Gale
Keyword(s):  
Molecular Dynamics ◽  
Electric Field ◽  
Molecular Dynamics Simulations ◽  
External Electric Field ◽  
Electric Fields ◽  
Liquid Interfaces ◽  
Ewald Summation ◽  
External Electric Fields ◽  
Simulation Cell ◽  
Dynamics Simulations

Molecular dynamics simulations of the liquid-liquid interface between water and 1,2-Dichloroethane in the presence of weak external electric fields.<div>The effect of the use of 3D periodic Ewald summation and the effect of the simulation setup are discussed.</div><div>A new simple geometric method for designing the simulation cell is proposed. This method was thoroughly tested shown that it mitigates any artefacts to the use of 3D Ewald summation with external electric field.</div>

Sign in / Sign up

Export Citation Format

Share Document