Surface-Induced Chain Alignment of Semiflexible Polymers
Semiflexible polymers tend to spontaneously align parallel to an impenetrable surface, creating a mean aligning field. The backbone segments interact with the aligning field, further enhancing the chain alignment. Using molecular dynamics (MD) simulations of bead–spring chains, we demonstrate that t...
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| Published in | Macromolecules Vol. 49; no. 3; pp. 963 - 971 |
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| Main Authors | , , |
| Format | Journal Article |
| Language | English |
| Published |
American Chemical Society
09.02.2016
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| Subjects | |
| Online Access | Get full text |
| ISSN | 0024-9297 1520-5835 1520-5835 |
| DOI | 10.1021/acs.macromol.5b02173 |
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| Abstract | Semiflexible polymers tend to spontaneously align parallel to an impenetrable surface, creating a mean aligning field. The backbone segments interact with the aligning field, further enhancing the chain alignment. Using molecular dynamics (MD) simulations of bead–spring chains, we demonstrate that the thickness of the aligned layer is about a persistence length L p for semiflexible polymers in the isotropic phase. To investigate the effect of nematic coupling on the surface-induced alignment, we develop a lattice version of self-consistent field theory (SCFT) for semiflexible chains. We predict that the strength and range of the alignment increase with increasing nematic coupling, quantified by the nematic coupling constant α. The impenetrable surface acts as a perturbation on the chain alignment, and the nematic coupling α amplifies the perturbation. By comparing the SCFT predicted order parameter profile for chains near an impenetrable surface to MD simulations, we can estimate α for semiflexible polymers. |
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| AbstractList | Semiflexible polymers tend to spontaneously align parallel to an impenetrable surface, creating a mean aligning field. The backbone segments interact with the aligning field, further enhancing the chain alignment. Using molecular dynamics (MD) simulations of bead–spring chains, we demonstrate that the thickness of the aligned layer is about a persistence length Lₚ for semiflexible polymers in the isotropic phase. To investigate the effect of nematic coupling on the surface-induced alignment, we develop a lattice version of self-consistent field theory (SCFT) for semiflexible chains. We predict that the strength and range of the alignment increase with increasing nematic coupling, quantified by the nematic coupling constant α. The impenetrable surface acts as a perturbation on the chain alignment, and the nematic coupling α amplifies the perturbation. By comparing the SCFT predicted order parameter profile for chains near an impenetrable surface to MD simulations, we can estimate α for semiflexible polymers. Semiflexible polymers tend to spontaneously align parallel to an impenetrable surface, creating a mean aligning field. The backbone segments interact with the aligning field, further enhancing the chain alignment. Using molecular dynamics (MD) simulations of bead–spring chains, we demonstrate that the thickness of the aligned layer is about a persistence length L p for semiflexible polymers in the isotropic phase. To investigate the effect of nematic coupling on the surface-induced alignment, we develop a lattice version of self-consistent field theory (SCFT) for semiflexible chains. We predict that the strength and range of the alignment increase with increasing nematic coupling, quantified by the nematic coupling constant α. The impenetrable surface acts as a perturbation on the chain alignment, and the nematic coupling α amplifies the perturbation. By comparing the SCFT predicted order parameter profile for chains near an impenetrable surface to MD simulations, we can estimate α for semiflexible polymers. |
| Author | Gomez, Enrique D Milner, Scott T Zhang, Wenlin |
| AuthorAffiliation | The Pennsylvania State University Department of Chemical Engineering Materials Research Institute |
| AuthorAffiliation_xml | – name: Department of Chemical Engineering – name: Materials Research Institute – name: The Pennsylvania State University |
| Author_xml | – sequence: 1 givenname: Wenlin surname: Zhang fullname: Zhang, Wenlin – sequence: 2 givenname: Enrique D surname: Gomez fullname: Gomez, Enrique D email: edg12@psu.edu – sequence: 3 givenname: Scott T surname: Milner fullname: Milner, Scott T email: stm9@psu.edu |
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| Cites_doi | 10.1021/ma102296r 10.1103/PhysRevLett.73.3235 10.1039/c1sm05972f 10.1021/j100439a011 10.1103/PhysRevLett.110.138305 10.1063/1.2808028 10.1038/nmat1590 10.1103/PhysRevE.88.042603 10.1021/ma060871e 10.1021/j100475a012 10.1021/nn900831m 10.1002/adma.200802722 10.1021/ma302463d 10.1021/nl401420s 10.1021/ma062160m 10.1063/1.455611 10.1021/ma3011558 10.1002/adma.201304241 10.1021/acs.macromol.5b00013 10.1002/pssa.200404340 10.1021/ma00210a012 10.1364/AO.41.000154 10.1021/ma302095k 10.1021/nl070022k 10.1103/PhysRevE.84.041810 10.1002/adfm.201100904 |
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| Title | Surface-Induced Chain Alignment of Semiflexible Polymers |
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