Computer modeling of polymer stars in variable solvent conditions: a comparison of MD simulations, self-consistent field (SCF) modeling and novel hybrid Monte Carlo SCF approach-Reference-Cited by-同舟云学术

Computer modeling of polymer stars in variable solvent conditions: a comparison of MD simulations, self-consistent field (SCF) modeling and novel hybrid Monte Carlo SCF approach

Published:2021 Issue:3 Volume:17 Page:580-591
ISSN:1744-683X
Container-title:Soft Matter
language:en
Short-container-title:Soft Matter

Author:

Kazakov Alexander D.¹²³⁴⁵^ORCID,Prokacheva Varvara M.¹²³⁴⁵^ORCID,Uhlík Filip¹²³⁴⁵,Košovan Peter¹²³⁴⁵^ORCID,Leermakers Frans A. M.⁶⁷⁸⁹^ORCID

Affiliation:

1. Department of Physical and Macromolecular Chemistry

2. Faculty of Science

3. Charles University

4. 128 00 Praha 2

5. Czech Republic

6. Department of Agrotechnology and Food Sciences

7. Wageningen University and Research Center

8. Wageningen

9. The Netherlands

Abstract

We present a hybrid method based on a combination of coarse-grained and mean-field models for simulation of polymer solutions.

Funder

Grantová Agentura České Republiky

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/SM/D0SM01080D

Reference36 articles.

1. Modeling the separation of macromolecules: A review of current computer simulation methods

2. G. S. Grest , L. J.Fetters , J. S.Huang and D.Richter , Advances in Chemical Physics: Polymeric Systems , 2007 , vol. 94, pp. 67–163

3. Effective interactions in soft condensed matter physics

4. A Hybrid Particle-Field Coarse-Grained Molecular Model for Pluronics Water Mixtures

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