The Phases in a Non-Ionic Surfactant (C12E6)−Water Ternary System: A Coarse-Grained Computer Simulation

2011 ◽  
Vol 115 (6) ◽  
pp. 1385-1393 ◽  
Author(s):  
N. Denham ◽  
M. C. Holmes ◽  
A. V. Zvelindovsky
Keyword(s):  
Computer Simulation ◽  
Ternary System ◽  
Coarse Grained ◽  
Ionic Surfactant ◽  
System A

scholarly journals Water confined in self-assembled ionic surfactant nano-structures

Soft Matter ◽  
2015 ◽  
Vol 11 (12) ◽  
pp. 2469-2478 ◽  
Author(s):  
Samuel Hanot ◽  
Sandrine Lyonnard ◽  
Stefano Mossa
Keyword(s):  
Computer Simulation ◽  
Aqueous Solutions ◽  
Structural Features ◽  
Coarse Grained ◽  
Ionic Surfactants ◽  
Ionic Surfactant ◽  
Coarse Grained Model ◽  
Nano Structures ◽  
Consequent Effect ◽  
The Impact

We present a coarse-grained model for ionic surfactants in explicit aqueous solutions, and study by computer simulation both the impact of water content on the morphology of the system, and the consequent effect of the formed interfaces on the structural features of the absorbed fluid.

Mutual Diffusion Measurements in a Ternary System:  Ionic Surfactant−Nonionic Surfactant−Water at 25 °C

Langmuir ◽  
1998 ◽  
Vol 14 (21) ◽  
pp. 5994-5998 ◽  
Author(s):  
M. Castaldi ◽  
L. Costantino ◽  
O. Ortona ◽  
L. Paduano ◽  
V. Vitagliano
Keyword(s):  
Ternary System ◽  
Nonionic Surfactant ◽  
Mutual Diffusion ◽  
Ionic Surfactant

The structure of polymer brushes near the transition from dilute to dense systems. A computer simulation study

Soft Matter ◽  
2021 ◽  
Author(s):  
Piotr Polanowski ◽  
Andrzej Sikorski
Keyword(s):  
Computer Simulation ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Simulation Study ◽  
Polymer Brushes ◽  
Polymer Brush ◽  
Coarse Grained ◽  
Computer Simulation Study ◽  
Coarse Grained Model ◽  
Cooperative Motion

Monodisperse polymer brushes were studied by means of Monte Carlo simulations. A coarse-grained model of a polymer brush was designed in order and the Cooperative Motion Algorithm was employed to...

Phase diagram of the system A(I)-B(V)-C(VI). II. Ternary system Na-Sb-Se

1979 ◽  
Vol 32 (1-2) ◽  
pp. 57-62 ◽  
Author(s):  
A.V. Salov ◽  
V.B. Lazarev ◽  
I.S. Shaplygin
Keyword(s):  
Phase Diagram ◽  
Ternary System ◽  
System A

Coarse-Grained Computer Simulation of Nanoconfined Polyamide-6,6

2011 ◽  
Vol 44 (8) ◽  
pp. 3117-3128 ◽  
Author(s):  
Hossein Eslami ◽  
Hossein Ali Karimi-Varzaneh ◽  
Florian Müller-Plathe
Keyword(s):  
Computer Simulation ◽  
Coarse Grained

Safranin T- SDS- GO ternary system: A fluorescent pH sensor

2021 ◽  
pp. 111977
Author(s):  
Kubilay Korkmaz ◽  
Burcu Meryem Beşer ◽  
Ayşe Merve Şenol ◽  
Yavuz Onganer
Keyword(s):  
Ternary System ◽  
Ph Sensor ◽  
System A ◽  
Safranin T

Computer Simulation of Polymer Chains in Confinement

2008 ◽  
Vol 138 ◽  
pp. 451-475 ◽  
Author(s):  
Andrzej Sikorski
Keyword(s):  
Computer Simulation ◽  
Brownian Dynamics ◽  
Dynamic Properties ◽  
Practical Importance ◽  
Polymer Chains ◽  
Coarse Grained ◽  
Theoretical Treatment ◽  
Narrow Slit ◽  
Exchange Method ◽  
Confined Polymers

Properties of macromolecules confined in a narrow slit, pore or capillary are important due to of their practical importance. Theoretical treatment of such systems is also interesting because the introduction of confinement has an impact on most properties of polymer chains and it gained a longstanding attention. In order to determine the properties of such systems coarse-grained models of confined polymers were designed where macromolecules were represented by united atoms. Lattice approximation was also often introduced. Different macromolecular architectures were studied: linear, cyclic and star-branched chains. Computer simulation techniques (the variants of the Monet Carlo method like the Metropolis algorithm and the Replica Exchange method as well as Molecular Dynamics and Brownian Dynamics methods) applied for studies of such models were reviewed and evaluated. The structure of the polymer film and the dynamic properties were mainly presented and discussed. The influence of the width of the slit, the temperature and the force field on the dimension and the structure of chains were studied. It was shown that a moderate confinement stabilizes folded chains while a strong confinement does not.

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