scholarly journals Molecular dynamics simulations of AOT-water/formamide reverse micelles: Structural and dynamical properties

2008 ◽  
Vol 129 (24) ◽  
pp. 244503 ◽  
Author(s):  
Matías H. H. Pomata ◽  
Daniel Laria ◽  
Munir S. Skaf ◽  
M. Dolores Elola
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Reverse Micelles ◽  
Dynamical Properties ◽  
Dynamics Simulations

Solvation of cholesterol in different solvents: a molecular dynamics simulation study

2020 ◽  
Vol 22 (3) ◽  
pp. 1154-1167 ◽  
Author(s):  
Khair Bux ◽  
Syed Tarique Moin
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Dimethyl Sulfoxide ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Dynamical Properties ◽  
Dynamics Simulations

Molecular dynamics simulations were applied to an isolated cholesterol immersed in four different solvents of varying polarity, such as water, methanol, dimethyl sulfoxide and benzene, to gain insights into the structural and dynamical properties.

The electric properties of AOT reverse micelles by molecular dynamics simulations

2019 ◽  
Vol 296 ◽  
pp. 111960
Author(s):  
Ilia V. Kopanichuk ◽  
Valentin A. Novikov ◽  
Aleksandr A. Vanin ◽  
Elena N. Brodskaya
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Reverse Micelles ◽  
Electric Properties ◽  
Aot Reverse Micelles ◽  
Dynamics Simulations

Nature of CTAB/Water/Chloroform Reverse Micelles at Above- and Subzero Temperatures Studied by NMR and Molecular Dynamics Simulations

Langmuir ◽  
2015 ◽  
Vol 31 (30) ◽  
pp. 8284-8293 ◽  
Author(s):  
Lubica Klíčová ◽  
Eva Muchová ◽  
Peter Šebej ◽  
Petr Slavíček ◽  
Petr Klán
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Reverse Micelles ◽  
Subzero Temperatures ◽  
Dynamics Simulations

Molecular dynamics study of di-CF4 based reverse micelles in supercritical CO2

2016 ◽  
Vol 18 (42) ◽  
pp. 29156-29163 ◽  
Author(s):  
Bing Liu ◽  
Xinpeng Tang ◽  
Wenjing Fang ◽  
Xiaoqi Li ◽  
Jun Zhang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Reverse Micelles ◽  
Supercritical Co2 ◽  
Aggregation Behavior ◽  
The Self ◽  
Dynamics Simulations ◽  
Self Aggregation

Molecular dynamics simulations are performed to investigate the self-aggregation behavior of di-CF4 based reverse micelles in supercritical CO2, and stable and spherical reverse micelles are formed.

Molecular dynamics study of coil-to-globule transition in a thermo-responsive oligomer bound to various surfaces: hydrophilic surfaces stabilize the coil form

2018 ◽  
Vol 20 (47) ◽  
pp. 29754-29763 ◽  
Author(s):  
Giuseppe Consiglio ◽  
Giuseppe Forte
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Hydrophilic Surfaces ◽  
Responsive Polymer ◽  
Different Temperatures ◽  
Dynamical Properties ◽  
Dynamics Simulations ◽  
Covalently Bound

The structural and dynamical properties of 40-mer of thermo-responsive polymer PNIPAM covalently bound to different surfaces have been studied, at different temperatures, by means of molecular dynamics simulations.

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