Self-Assembly of Heteroarm Star Copolymers – A Monte Carlo Study

2007 ◽  
Vol 16 (4) ◽  
pp. 386-398 ◽  
Author(s):  
Jitka Havránková ◽  
Zuzana Limpouchová ◽  
Miroslav Štěpánek ◽  
Karel Procházka
Keyword(s):  
Monte Carlo ◽  
Self Assembly ◽  
Monte Carlo Study ◽  
Star Copolymers

Monte Carlo Study of Dilute Solutions of Heteroarm Star Copolymers in Solvents Differing in Thermodynamic Quality

2005 ◽  
Vol 70 (11) ◽  
pp. 1848-1860 ◽  
Author(s):  
Jitka Havránková ◽  
Zuzana Limpouchová ◽  
Karel Procházka
Keyword(s):  
Monte Carlo ◽  
Common Good ◽  
Molecular Level ◽  
Monte Carlo Study ◽  
Coarse Graining ◽  
Quantitative Agreement ◽  
Conformational Behavior ◽  
Lattice Monte Carlo ◽  
Selective Solvents ◽  
Star Copolymers

Lattice Monte Carlo simulations (an original modification of the Siepmann and Frenkel simulation variant) was used to study the conformational behavior of heteroarm star copolymers star-(polystyrene; polyisoprene), PS8PI8, in a common good solvent for both types of arms (tetrahydrofuran) and in selective θ-solvents for both types of arms (in cyclohexane, i.e., in θ-solvent for PS and in 1,4-dioxane, i.e. in θ-solvent for PI). Results of simulations were compared with experimental data published by Pispas et al. The coarse graining procedure was performed to match the experimental behavior of heteroarm stars in a good solvent. The computer simulations reproduce all decisive trends of the conformational behavior for both selective solvents. The quantitative agreement between experimental and simulated size characteristics is very good. Simulations yield very detailed information on the system at the molecular level and show that the incompatible arms significantly segregate in selective solvents.

scholarly journals A Monte Carlo Study of the Self-Assembly of Bacteriorhodopsin

2002 ◽  
Vol 83 (4) ◽  
pp. 1902-1916 ◽  
Author(s):  
Kamakshi Jagannathan ◽  
Rakwoo Chang ◽  
Arun Yethiraj
Keyword(s):  
Monte Carlo ◽  
Self Assembly ◽  
Monte Carlo Study ◽  
The Self

Monte Carlo Study of the Self-Assembly of Achiral Bolaform Amphiphiles into Helical Nanofibers

Langmuir ◽  
2010 ◽  
Vol 26 (5) ◽  
pp. 2979-2982 ◽  
Author(s):  
M. Wahab ◽  
P. Schiller ◽  
R. Schmidt ◽  
H.-J. Mögel
Keyword(s):  
Monte Carlo ◽  
Self Assembly ◽  
Monte Carlo Study ◽  
The Self

Self-Assembly of Heteroarm Star Copolymers Studied by Lattice Monte Carlo Simulation

2008 ◽  
Vol 73 (3) ◽  
pp. 358-371 ◽  
Author(s):  
Jitka Havránková ◽  
Zuzana Limpouchová ◽  
Karel Procházka
Keyword(s):  
Monte Carlo ◽  
Self Assembly ◽  
The Self ◽  
Lattice Monte Carlo ◽  
Selective Solvents ◽  
Simple Cubic ◽  
Star Copolymers ◽  
Association Behavior ◽  
Recognition Criterion ◽  
Self Avoiding Walks

Results of lattice Monte Carlo simulations on the self-assembly of heteroarm star copolymers in strongly selective solvents (athermal for A arms and considerably bad for B arms) are presented. The arms are modeled as the self-avoiding walks on a simple cubic lattice tethered to the point. A modified simulation algorithm and an improved recognition criterion of associated structures developed in our previous study are used. The paper is a continuation of our systematic study of heteroarm star copolymers and focuses on the effect of the ratio of numbers of soluble to insoluble arms and the distribution of A and B segments in short or long arms on the self-assembly. It confirms the predictable effect of the soluble-to-insoluble arm number ratio on the association behavior. Nevertheless, the comparison of results for different architectures with the same numbers of soluble and insoluble segments, but different lengths of soluble and insoluble arms shows a strong effect of the distribution of A and B segments in different arms.

Self-assembly of ABC triblock copolymers under 3D soft confinement: a Monte Carlo study

Soft Matter ◽  
2016 ◽  
Vol 12 (3) ◽  
pp. 965-972 ◽  
Author(s):  
Nan Yan ◽  
Yutian Zhu ◽  
Wei Jiang
Keyword(s):  
Monte Carlo ◽  
Self Assembly ◽  
Triblock Copolymers ◽  
Monte Carlo Study ◽  
Abc Triblock Copolymers

A serious of novel morphologies obtained by self-assembly of ABC triblock copolymers under 3D soft confinement.

Monte Carlo Study of Heteroarm Star Copolymers in Good and Selective Solvents

2003 ◽  
Vol 12 (7) ◽  
pp. 512-523 ◽  
Author(s):  
Jitka Havránková ◽  
Zuzana Limpouchová ◽  
Karel Procházka
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Study ◽  
Selective Solvents ◽  
Star Copolymers

Monte Carlo Study on the Self-Assembly of Nanoparticles Into a Nanorod Structure

2013 ◽  
Vol 13 (9) ◽  
pp. 6254-6258
Author(s):  
Mohammad A. Matin ◽  
Hyojeong Kim ◽  
Joyanta K. Saha ◽  
Zhengqing Zhang ◽  
Jinkwon Kim ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Self Assembly ◽  
Monte Carlo Study ◽  
The Self

Self-Assembly of Core-Corona Colloids Under Cylindrical Confinement: A Monte Carlo Study

2021 ◽  
pp. 116219
Author(s):  
S. Jiménez-Millán ◽  
C. García-Alcántara ◽  
A. Ramírez-Hernández ◽  
E.J. Sambriski ◽  
S.I. Hernández
Keyword(s):  
Monte Carlo ◽  
Self Assembly ◽  
Monte Carlo Study
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