Lyotropic structure of poly(aniline N-alkylsulfonate)s by molecular dynamics

Jee Hwan Jang; Jonghun Kim; Kwanyoung Lee; Hosull Lee; Eunkyoung Kim; Suh Bong Rhee

doi:10.1016/0379-6779(94)02408-Q

Lyotropic structure of poly(aniline N-alkylsulfonate)s by molecular dynamics

Jee Hwan Jang, Jonghun Kim, Kwanyoung Lee, Hosull Lee, Eunkyoung Kim, Suh Bong Rhee

Department of Chemical and Biomolecular Engineering

Research output: Contribution to journal › Article › peer-review

4 Citations (Scopus)

Abstract

The molecular dynamics simulation has been performed to investigate the liquid crystalline structure of poly(aniline N-alkylsulfonate)s, where alkyls are propyl, butyl, and pentyl. In the initial model for calculation, each layer of liquid crystalline assembly was regulary spaced and water molecules were incorporated as solvent. The equilibrated orientation shows tilted alkylsulfonate chains and structural variation of polymer backbone. The interchain distances obtained by N-N radial distribution function are 11Å in the parallel direction and 5 ∼ 6Å in the vertical direction.

Original language	English
Pages (from-to)	173-174
Number of pages	2
Journal	Synthetic Metals
Volume	69
Issue number	1-3
DOIs	https://doi.org/10.1016/0379-6779(94)02408-Q
Publication status	Published - 1995 Mar 1

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

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title = "Lyotropic structure of poly(aniline N-alkylsulfonate)s by molecular dynamics",

abstract = "The molecular dynamics simulation has been performed to investigate the liquid crystalline structure of poly(aniline N-alkylsulfonate)s, where alkyls are propyl, butyl, and pentyl. In the initial model for calculation, each layer of liquid crystalline assembly was regulary spaced and water molecules were incorporated as solvent. The equilibrated orientation shows tilted alkylsulfonate chains and structural variation of polymer backbone. The interchain distances obtained by N-N radial distribution function are 11{\AA} in the parallel direction and 5 ∼ 6{\AA} in the vertical direction.",

author = "Jang, {Jee Hwan} and Jonghun Kim and Kwanyoung Lee and Hosull Lee and Eunkyoung Kim and Rhee, {Suh Bong}",

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T1 - Lyotropic structure of poly(aniline N-alkylsulfonate)s by molecular dynamics

AU - Jang, Jee Hwan

AU - Kim, Jonghun

AU - Lee, Kwanyoung

AU - Lee, Hosull

AU - Kim, Eunkyoung

AU - Rhee, Suh Bong

PY - 1995/3/1

Y1 - 1995/3/1

N2 - The molecular dynamics simulation has been performed to investigate the liquid crystalline structure of poly(aniline N-alkylsulfonate)s, where alkyls are propyl, butyl, and pentyl. In the initial model for calculation, each layer of liquid crystalline assembly was regulary spaced and water molecules were incorporated as solvent. The equilibrated orientation shows tilted alkylsulfonate chains and structural variation of polymer backbone. The interchain distances obtained by N-N radial distribution function are 11Å in the parallel direction and 5 ∼ 6Å in the vertical direction.

AB - The molecular dynamics simulation has been performed to investigate the liquid crystalline structure of poly(aniline N-alkylsulfonate)s, where alkyls are propyl, butyl, and pentyl. In the initial model for calculation, each layer of liquid crystalline assembly was regulary spaced and water molecules were incorporated as solvent. The equilibrated orientation shows tilted alkylsulfonate chains and structural variation of polymer backbone. The interchain distances obtained by N-N radial distribution function are 11Å in the parallel direction and 5 ∼ 6Å in the vertical direction.

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DO - 10.1016/0379-6779(94)02408-Q

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EP - 174

JO - Synthetic Metals

JF - Synthetic Metals

SN - 0379-6779

IS - 1-3

ER -

Lyotropic structure of poly(aniline N-alkylsulfonate)s by molecular dynamics

Abstract

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