Computer Study of the Association Behavior of Gradient Copolymers: Analysis of Simulation Results Based on a New Algorithm for Recognition and Classification of Aggregates. Issue 1 (11th December 2012)

• Record Type: Journal Article
• Authors: Kuldová, Jitka; Košovan, Peter; Limpouchová, Zuzana; Procházka, Karel
• Is Part Of: Macromolecular theory and simulations. Volume 22:Issue 1(2013)
• Page Start: 61
• Page End: 70
• Publication Date: 2012-12-11
• Subjects: Macromolecules -- Periodicals; Polymers -- Periodicals; Polymerization -- Periodicals; Macromolécules -- Périodiques; 547.705
• DOI: 10.1002/mats.201200055
• Languages: English
• ISSNs: 1022-1344

Abstract

<abstract abstract-type="main" xml:lang="en"> <title>Abstract</title> <p>We present a computer study of the association behavior of copolymer chains with a gradient part and soluble tail of variable length. As a simulation method we use dynamic Monte Carlo simulation on a simple cubic lattice with pair interaction parameters. The solvent quality and selectivity is modeled by the variation of pair interaction parameters between nearest neighbors on the lattice. The role of the length of soluble part in the self‐assembly and its effect on the structure of aggregates was the main goal of this work. The size and structure of aggregates were analyzed using an improved topological classification method which has been developed and tested in the present study. The structure and association numbers of aggregates were compared with those of linear diblock copolymers. <boxed-text content-type="graphic" position="anchor" orientation="portrait"><graphic position="anchor" mimetype="image" xlink:href="ark:/27927/pgg1n9g1894" orientation="portrait" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" /></boxed-text></p> </abstract>