Coarse-graining and phase behavior of model star polymer-colloid mixtures in solvents of varying quality

Arash Nikoubashman; Nathan A. Mahynski; Barbara Capone; Athanassios Z. Panagiotopoulos; Christos N. Likos

doi:10.1063/1.4931410

Coarse-graining and phase behavior of model star polymer-colloid mixtures in solvents of varying quality

Arash Nikoubashman, Nathan A. Mahynski, Barbara Capone, Athanassios Z. Panagiotopoulos, Christos N. Likos

Research output: Contribution to journal › Article › peer-review

7 Scopus citations

Abstract

We study the effective interactions and phase behavior of star polymer-colloid mixtures through theory and Monte Carlo simulations. We extend previous theoretical approaches for calculating the effective star-colloid pair potential to take into account attractive contributions, which become significant at worsening solvent conditions. In order to assess the validity of our simulation and theory, we compute the effective interactions via virtual move parallel tempering Monte Carlo simulations using a microscopic bead-spring model for the star polymer and achieve excellent agreement. Finally, we perform grand canonical Monte Carlo simulations of the coarse-grained systems to study the effect of solvent quality on the phase behavior.

Original language	English (US)
Article number	243108
Journal	Journal of Chemical Physics
Volume	143
Issue number	24
DOIs	https://doi.org/10.1063/1.4931410
State	Published - Dec 28 2015

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

Access to Document

10.1063/1.4931410

Cite this

@article{816e90a8612940f1b00be04c20cdb1f7,

title = "Coarse-graining and phase behavior of model star polymer-colloid mixtures in solvents of varying quality",

abstract = "We study the effective interactions and phase behavior of star polymer-colloid mixtures through theory and Monte Carlo simulations. We extend previous theoretical approaches for calculating the effective star-colloid pair potential to take into account attractive contributions, which become significant at worsening solvent conditions. In order to assess the validity of our simulation and theory, we compute the effective interactions via virtual move parallel tempering Monte Carlo simulations using a microscopic bead-spring model for the star polymer and achieve excellent agreement. Finally, we perform grand canonical Monte Carlo simulations of the coarse-grained systems to study the effect of solvent quality on the phase behavior.",

author = "Arash Nikoubashman and Mahynski, {Nathan A.} and Barbara Capone and Panagiotopoulos, {Athanassios Z.} and Likos, {Christos N.}",

note = "Publisher Copyright: {\textcopyright} 2015 AIP Publishing LLC.",

year = "2015",

month = dec,

day = "28",

doi = "10.1063/1.4931410",

language = "English (US)",

volume = "143",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics Publising LLC",

number = "24",

}

TY - JOUR

T1 - Coarse-graining and phase behavior of model star polymer-colloid mixtures in solvents of varying quality

AU - Nikoubashman, Arash

AU - Mahynski, Nathan A.

AU - Capone, Barbara

AU - Panagiotopoulos, Athanassios Z.

AU - Likos, Christos N.

PY - 2015/12/28

Y1 - 2015/12/28

N2 - We study the effective interactions and phase behavior of star polymer-colloid mixtures through theory and Monte Carlo simulations. We extend previous theoretical approaches for calculating the effective star-colloid pair potential to take into account attractive contributions, which become significant at worsening solvent conditions. In order to assess the validity of our simulation and theory, we compute the effective interactions via virtual move parallel tempering Monte Carlo simulations using a microscopic bead-spring model for the star polymer and achieve excellent agreement. Finally, we perform grand canonical Monte Carlo simulations of the coarse-grained systems to study the effect of solvent quality on the phase behavior.

AB - We study the effective interactions and phase behavior of star polymer-colloid mixtures through theory and Monte Carlo simulations. We extend previous theoretical approaches for calculating the effective star-colloid pair potential to take into account attractive contributions, which become significant at worsening solvent conditions. In order to assess the validity of our simulation and theory, we compute the effective interactions via virtual move parallel tempering Monte Carlo simulations using a microscopic bead-spring model for the star polymer and achieve excellent agreement. Finally, we perform grand canonical Monte Carlo simulations of the coarse-grained systems to study the effect of solvent quality on the phase behavior.

UR - http://www.scopus.com/inward/record.url?scp=84942447071&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84942447071&partnerID=8YFLogxK

U2 - 10.1063/1.4931410

DO - 10.1063/1.4931410

M3 - Article

C2 - 26723593

AN - SCOPUS:84942447071

SN - 0021-9606

VL - 143

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 24

M1 - 243108

ER -

Coarse-graining and phase behavior of model star polymer-colloid mixtures in solvents of varying quality

Abstract

All Science Journal Classification (ASJC) codes

Access to Document

Other files and links

Fingerprint

Cite this