Shape characteristics of the aggregates formed by amphiphilic stars in water: dissipative particle dynamics study
We study the effect of the molecular architecture of amphiphilic star polymers on the shape of aggregates they
 form in water. Both solute and solvent are considered at a coarse-grained level by means of dissipative particle
 dynamics simulations. Four different molecular architectur...
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| Published in: | Condensed Matter Physics |
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| Date: | 2017 |
| Main Authors: | , , |
| Format: | Article |
| Language: | English |
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Інститут фізики конденсованих систем НАН України
2017
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| Online Access: | https://nasplib.isofts.kiev.ua/handle/123456789/156969 |
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| Cite this: | Shape characteristics of the aggregates formed by amphiphilic stars in water: dissipative particle dynamics study / O.Y. Kalyuzhnyi, J.M. Ilnytskyi, C. von Ferber // Condensed Matter Physics. — 2017. — Т. 20, № 1. — С. 13802: 1–10. — Бібліогр.: 36 назв. — англ. |
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Digital Library of Periodicals of National Academy of Sciences of Ukraine| _version_ | 1862596025659686912 |
|---|---|
| author | Kalyuzhnyi, O.Y. Ilnytskyi, J.M. C. von Ferber |
| author_facet | Kalyuzhnyi, O.Y. Ilnytskyi, J.M. C. von Ferber |
| citation_txt | Shape characteristics of the aggregates formed by amphiphilic stars in water: dissipative particle dynamics study / O.Y. Kalyuzhnyi, J.M. Ilnytskyi, C. von Ferber // Condensed Matter Physics. — 2017. — Т. 20, № 1. — С. 13802: 1–10. — Бібліогр.: 36 назв. — англ. |
| collection | DSpace DC |
| container_title | Condensed Matter Physics |
| description | We study the effect of the molecular architecture of amphiphilic star polymers on the shape of aggregates they
form in water. Both solute and solvent are considered at a coarse-grained level by means of dissipative particle
dynamics simulations. Four different molecular architectures are considered: the miktoarm star, two different
diblock stars and a group of linear diblock copolymers, all of the same composition and molecular weight. Aggregation is started from a closely packed bunch of Na molecules immersed into water. In most cases, a single
aggregate is observed as a result of equilibration, and its shape characteristics are studied depending on the aggregation number Na. Four types of aggregate shape are observed: spherical, rod-like and disc-like micelle and
a spherical vesicle. We estimate “phase boundaries” between these shapes depending on the molecular architecture. Sharp transitions between aspherical micelle and a vesicle are found in most cases. The pretransition
region shows large amplitude oscillations of the shape characteristics with the oscillation frequency strongly
dependent on the molecular architecture.
В роботi вивчається ефект молекулярної архiтектури амфiфiльних зiркових полiмерiв на форму агрегатiв,
якi вони формують у водi. Полiмери та вода описуються на мезоскопiчному рiвнi, використовуючи метод
дисипативної динамiки. Розглянутi чотири молекулярнi архiтектури: мiктозiрки, два типи дiблок-зiрок i
група лiнiйних дiблок кополiмерiв, усi з однаковою композицiєю та молекулярною масою. Ми розглядаємо початкову конфiгурацiю у виглядi густого клубка iз Na молекул, помiщеного у воду. В рiвноважному
станi формується агрегат, характеристики форми якого дослiджуються при рiзних значеннях Na. Знайдено чотири форми агрегатiв: сферична, стержнеподiбна та дископодiбна мiцелла та сферична весiкула.
Оцiненi “фазовi границi” мiж цими формами залежно вiд молекулярної архiтектури. У бiльшостi випадкiв знайдено рiзкий перехiд мiж асферичною мiцеллою та весiкулою. Передперехiдна область характеризується осциляцiями властивостей форми iз великою амплiтудою, частота яких суттєво залежить вiд
молекулярної архiтектури.
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| first_indexed | 2025-11-27T14:31:05Z |
| format | Article |
| fulltext | |
| id | nasplib_isofts_kiev_ua-123456789-156969 |
| institution | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| issn | 1607-324X |
| language | English |
| last_indexed | 2025-11-27T14:31:05Z |
| publishDate | 2017 |
| publisher | Інститут фізики конденсованих систем НАН України |
| record_format | dspace |
| spelling | Kalyuzhnyi, O.Y. Ilnytskyi, J.M. C. von Ferber 2019-06-19T12:04:44Z 2019-06-19T12:04:44Z 2017 Shape characteristics of the aggregates formed by amphiphilic stars in water: dissipative particle dynamics study / O.Y. Kalyuzhnyi, J.M. Ilnytskyi, C. von Ferber // Condensed Matter Physics. — 2017. — Т. 20, № 1. — С. 13802: 1–10. — Бібліогр.: 36 назв. — англ. 1607-324X PACS: 82.70.Uv, 78.67.Ve, 61.20.Ja DOI:10.5488/CMP.20.13802 arXiv:1703.10401 https://nasplib.isofts.kiev.ua/handle/123456789/156969 We study the effect of the molecular architecture of amphiphilic star polymers on the shape of aggregates they
 form in water. Both solute and solvent are considered at a coarse-grained level by means of dissipative particle
 dynamics simulations. Four different molecular architectures are considered: the miktoarm star, two different
 diblock stars and a group of linear diblock copolymers, all of the same composition and molecular weight. Aggregation is started from a closely packed bunch of Na molecules immersed into water. In most cases, a single
 aggregate is observed as a result of equilibration, and its shape characteristics are studied depending on the aggregation number Na. Four types of aggregate shape are observed: spherical, rod-like and disc-like micelle and
 a spherical vesicle. We estimate “phase boundaries” between these shapes depending on the molecular architecture. Sharp transitions between aspherical micelle and a vesicle are found in most cases. The pretransition
 region shows large amplitude oscillations of the shape characteristics with the oscillation frequency strongly
 dependent on the molecular architecture. В роботi вивчається ефект молекулярної архiтектури амфiфiльних зiркових полiмерiв на форму агрегатiв,
 якi вони формують у водi. Полiмери та вода описуються на мезоскопiчному рiвнi, використовуючи метод
 дисипативної динамiки. Розглянутi чотири молекулярнi архiтектури: мiктозiрки, два типи дiблок-зiрок i
 група лiнiйних дiблок кополiмерiв, усi з однаковою композицiєю та молекулярною масою. Ми розглядаємо початкову конфiгурацiю у виглядi густого клубка iз Na молекул, помiщеного у воду. В рiвноважному
 станi формується агрегат, характеристики форми якого дослiджуються при рiзних значеннях Na. Знайдено чотири форми агрегатiв: сферична, стержнеподiбна та дископодiбна мiцелла та сферична весiкула.
 Оцiненi “фазовi границi” мiж цими формами залежно вiд молекулярної архiтектури. У бiльшостi випадкiв знайдено рiзкий перехiд мiж асферичною мiцеллою та весiкулою. Передперехiдна область характеризується осциляцiями властивостей форми iз великою амплiтудою, частота яких суттєво залежить вiд
 молекулярної архiтектури. This work was supported in part by FP7 EU IRSES projects No. 612707 “Dynamics of and in Complex Systems” and No. 612669 “Structure and Evolution of Complex Systems with Applications in Physics
 and Life Sciences”, and by the Doctoral College for the Statistical Physics of Complex Systems, LeipzigLorraine-Lviv-Coventry (L⁴
 ). en Інститут фізики конденсованих систем НАН України Condensed Matter Physics Shape characteristics of the aggregates formed by amphiphilic stars in water: dissipative particle dynamics study Властивостi форми агрегатiв iз амфiфiльних зiркових полiмерiв у водi: дослiдження методом дисипативної динамiки Article published earlier |
| spellingShingle | Shape characteristics of the aggregates formed by amphiphilic stars in water: dissipative particle dynamics study Kalyuzhnyi, O.Y. Ilnytskyi, J.M. C. von Ferber |
| title | Shape characteristics of the aggregates formed by amphiphilic stars in water: dissipative particle dynamics study |
| title_alt | Властивостi форми агрегатiв iз амфiфiльних зiркових полiмерiв у водi: дослiдження методом дисипативної динамiки |
| title_full | Shape characteristics of the aggregates formed by amphiphilic stars in water: dissipative particle dynamics study |
| title_fullStr | Shape characteristics of the aggregates formed by amphiphilic stars in water: dissipative particle dynamics study |
| title_full_unstemmed | Shape characteristics of the aggregates formed by amphiphilic stars in water: dissipative particle dynamics study |
| title_short | Shape characteristics of the aggregates formed by amphiphilic stars in water: dissipative particle dynamics study |
| title_sort | shape characteristics of the aggregates formed by amphiphilic stars in water: dissipative particle dynamics study |
| url | https://nasplib.isofts.kiev.ua/handle/123456789/156969 |
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