Multicompartment micellar aggregates of linear ABC amphiphiles in solvents selective for the C block: A Monte Carlo simulation

Handle URI:
http://hdl.handle.net/10754/561975
Title:
Multicompartment micellar aggregates of linear ABC amphiphiles in solvents selective for the C block: A Monte Carlo simulation
Authors:
Zhu, Yutian; Yu, Haizhou; Wang, Yongmei; Cui, Jie; Kong, Weixin; Jiang, Wei
Abstract:
In the current study, we applied the Monte Carlo method to study the self-assembly of linear ABC amphiphiles composed of two solvophobic A and B blocks and a solvophilic C block. A great number of multicompartment micelles are discovered from the simulations and the detailed phase diagrams for the ABC amphiphiles with different block lengths are obtained. The simulation results reveal that the micellar structure is largely controlled by block length, solvent quality, and incompatibility between the different block types. When the B block is longer than or as same as the terminal A block, a rich variety of micellar structures can be formed from ABC amphiphiles. By adjusting the solvent quality or incompatibility between the different block types, multiple morphological transitions are observed. These morphological sequences are well explained and consistent with all the previous experimental and theoretical studies. Despite the complexity of the micellar structures and morphological transitions observed for the self-assembly of ABC amphiphiles, two important common features of the phase behavior are obtained. In general, the micellar structures obtained in the current study can be divided into zero-dimensional (sphere-like structures, including bumpy-surfaced spheres and sphere-on-sphere structures), one-dimensional (cylinder-like structures, including rod and ring structures), two-dimensional (layer-like structures, including disk, lamella and worm-like and hamburger structures) and three-dimensional (vesicle) structures. It is found that the micellar structures transform from low- to high- dimensional structures when the solvent quality for the solvophobic blocks is decreased. In contrast, the micellar structures transform from high- to low-dimensional structures as the incompatibility between different block types increases. Furthermore, several novel micellar structures, such as the CBABC five-layer vesicle, hamburger, CBA three-layer ring, wormlike shape with bumps on the sides, and disk shape with bumps on the edge, are predicted in this study. The formation pathways of ring, hamburger, and worm-like micelles are also examined and their formation mechanisms are well elucidated. © 2012 The Royal Society of Chemistry.
KAUST Department:
Advanced Membranes and Porous Materials Research Center; Chemical and Biological Engineering Program
Publisher:
Royal Society of Chemistry (RSC)
Journal:
Soft Matter
Issue Date:
2012
DOI:
10.1039/c2sm07324b
Type:
Article
ISSN:
1744683X
Sponsors:
This work was financially supported by the National Natural Science Foundation of China for Youth Science Funds (21104083), Major Program (50930001), Creative Research Groups (50621302) and Scientific Development Program of Jilin Province (201201007).
Appears in Collections:
Articles; Advanced Membranes and Porous Materials Research Center; Chemical and Biological Engineering Program

Full metadata record

DC FieldValue Language
dc.contributor.authorZhu, Yutianen
dc.contributor.authorYu, Haizhouen
dc.contributor.authorWang, Yongmeien
dc.contributor.authorCui, Jieen
dc.contributor.authorKong, Weixinen
dc.contributor.authorJiang, Weien
dc.date.accessioned2015-08-03T09:35:25Zen
dc.date.available2015-08-03T09:35:25Zen
dc.date.issued2012en
dc.identifier.issn1744683Xen
dc.identifier.doi10.1039/c2sm07324ben
dc.identifier.urihttp://hdl.handle.net/10754/561975en
dc.description.abstractIn the current study, we applied the Monte Carlo method to study the self-assembly of linear ABC amphiphiles composed of two solvophobic A and B blocks and a solvophilic C block. A great number of multicompartment micelles are discovered from the simulations and the detailed phase diagrams for the ABC amphiphiles with different block lengths are obtained. The simulation results reveal that the micellar structure is largely controlled by block length, solvent quality, and incompatibility between the different block types. When the B block is longer than or as same as the terminal A block, a rich variety of micellar structures can be formed from ABC amphiphiles. By adjusting the solvent quality or incompatibility between the different block types, multiple morphological transitions are observed. These morphological sequences are well explained and consistent with all the previous experimental and theoretical studies. Despite the complexity of the micellar structures and morphological transitions observed for the self-assembly of ABC amphiphiles, two important common features of the phase behavior are obtained. In general, the micellar structures obtained in the current study can be divided into zero-dimensional (sphere-like structures, including bumpy-surfaced spheres and sphere-on-sphere structures), one-dimensional (cylinder-like structures, including rod and ring structures), two-dimensional (layer-like structures, including disk, lamella and worm-like and hamburger structures) and three-dimensional (vesicle) structures. It is found that the micellar structures transform from low- to high- dimensional structures when the solvent quality for the solvophobic blocks is decreased. In contrast, the micellar structures transform from high- to low-dimensional structures as the incompatibility between different block types increases. Furthermore, several novel micellar structures, such as the CBABC five-layer vesicle, hamburger, CBA three-layer ring, wormlike shape with bumps on the sides, and disk shape with bumps on the edge, are predicted in this study. The formation pathways of ring, hamburger, and worm-like micelles are also examined and their formation mechanisms are well elucidated. © 2012 The Royal Society of Chemistry.en
dc.description.sponsorshipThis work was financially supported by the National Natural Science Foundation of China for Youth Science Funds (21104083), Major Program (50930001), Creative Research Groups (50621302) and Scientific Development Program of Jilin Province (201201007).en
dc.publisherRoyal Society of Chemistry (RSC)en
dc.titleMulticompartment micellar aggregates of linear ABC amphiphiles in solvents selective for the C block: A Monte Carlo simulationen
dc.typeArticleen
dc.contributor.departmentAdvanced Membranes and Porous Materials Research Centeren
dc.contributor.departmentChemical and Biological Engineering Programen
dc.identifier.journalSoft Matteren
dc.contributor.institutionState Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Science, Changchun 130022, Chinaen
dc.contributor.institutionDepartment of Chemistry, University of Memphis, Memphis, TN 38152-3550, United Statesen
kaust.authorYu, Haizhouen
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