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...

Molecular Dynamics Simulations for Loading-Dependent Diffusion of CO2, SO2, CH4, and Their Binary Mixtures in ZIF-10: The Role of Hydrogen Bond

Langmuir ◽  
2017 ◽  
Vol 33 (42) ◽  
pp. 11543-11553 ◽  
Author(s):  
Li Li ◽  
Deshuai Yang ◽  
Trevor R. Fisher ◽  
Qi Qiao ◽  
Zhen Yang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Hydrogen Bond ◽  
Molecular Dynamics Simulations ◽  
Binary Mixtures ◽  
Dynamics Simulations
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