Self-consistent field theory and coarse-grained molecular dynamics simulations of pentablock copolymer melt phase behavior

So Jung Park; Tristan Myers; Vinson Liao; Arthi Jayaraman

doi:10.1039/d4me00138a

ScienceGate Book Chapters

JOURNAL ARTICLE

Self-consistent field theory and coarse-grained molecular dynamics simulations of pentablock copolymer melt phase behavior

So Jung Park Tristan Myers Vinson Liao Arthi Jayaraman

Year: 2024 Journal: Molecular Systems Design & Engineering Vol: 9 (12)Pages: 1235-1253 Publisher: Royal Society of Chemistry

DOI: 10.1039/d4me00138a

Get Full-Text PDF Get Analytical Report

Abstract

Using a combined theory-simulation approach we rapidly screen a large polymer design space to identify rules for desired morphologies as well as the chain conformations associated with the theory-predicted phase behavior.

Keywords:

Copolymer Molecular dynamics Phase (matter) Dynamics (music) Field (mathematics) Materials science Chemical physics Statistical physics Physics Chemistry Polymer Mathematics Computational chemistry Composite material

Metrics

Cited By

1.19

FWCI (Field Weighted Citation Impact)

Refs

0.78

Citation Normalized Percentile

Is in top 1%

Is in top 10%

Citation History

Topics

Block Copolymer Self-Assembly

Physical Sciences → Materials Science → Materials Chemistry

Advanced Physical and Chemical Molecular Interactions

Physical Sciences → Chemistry → Physical and Theoretical Chemistry

Polymer crystallization and properties

Physical Sciences → Materials Science → Polymers and Plastics

Self-consistent field theory and coarse-grained molecular dynamics simulations of pentablock copolymer melt phase behavior

Abstract

Metrics

Citation History

Topics

Related Documents

Coarse-grained molecular-dynamics simulations of the self-assembly of pentablock copolymers into micelles

Phase behavior of polymer dispersed liquid crystals, comparison between mean-field theory, and coarse-grained molecular dynamics simulations

Unique Phase Behavior of Inverse Tapered Block Copolymers: Self-Consistent Field Theory and Molecular Dynamics Simulations

Coarse-grained protein molecular dynamics simulations

DPPC-cholesterol phase diagram using coarse-grained Molecular Dynamics simulations