Conformational effect on small angle neutron scattering behavior of interacting polyelectrolyte solutions: A perspective of integral equation theory

Chwen Yang Shew; Changwoo Do; Kunlun Hong; Yun Liu; Lionel Porcar; Gregory S. Smith; Wei Ren Chen

doi:10.1063/1.4732516

Conformational effect on small angle neutron scattering behavior of interacting polyelectrolyte solutions: A perspective of integral equation theory

Chwen Yang Shew, Changwoo Do, Kunlun Hong, Yun Liu, Lionel Porcar, Gregory S. Smith, Wei Ren Chen

SANS & Spin Echo

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4 Scopus citations

Abstract

We present small angle neutron scattering (SANS) measurements of deuterium oxide (D ₂O) solutions of linear and star sodium poly(styrene sulfonate) (NaPSS) as a function of polyelectrolyte concentration. Emphasis is on understanding the dependence of their SANS coherent scattering cross section I(Q) on the molecular architecture of single polyelectrolyte. The key finding is that for a given concentration, star polyelectrolytes exhibit more pronounced characteristic peaks in I(Q), and the position of the first peak occurs at a smaller Q compared to their linear counterparts. Based on a model of integral equation theory, we first compare the SANS experimental I(Q) of salt-free polyelectrolyte solutions with that predicted theoretically. Having seen their satisfactory qualitative agreement, the dependence of counterion association behavior on polyelectrolyte geometry and concentration is further explored. Our predictions reveal that the ionic environment of polyelectrolyte exhibits a strong dependence on polyelectrolyte geometry at lower polyelectrolyte concentration. However, when both linear and star polyelectrolytes exceed their overlap concentrations, the spatial distribution of counterion is found to be essentially insensitive to polyelectrolyte geometry due to the steric effect.

Original language	English
Article number	024907
Journal	Journal of Chemical Physics
Volume	137
Issue number	2
DOIs	https://doi.org/10.1063/1.4732516
State	Published - Jul 14 2012

Funding

We gratefully acknowledge the support from the City University of New York PSC grants. This Research at Oak Ridge National Laboratory's Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. The research carried out at the Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. The support of NCNR NIST in providing the neutron research facilities is also acknowledged.

Funders	Funder number
Office of Basic Energy Sciences
Scientific User Facilities Division
U.S. Department of Energy
Oak Ridge National Laboratory
City University of New York

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title = "Conformational effect on small angle neutron scattering behavior of interacting polyelectrolyte solutions: A perspective of integral equation theory",

abstract = "We present small angle neutron scattering (SANS) measurements of deuterium oxide (D 2O) solutions of linear and star sodium poly(styrene sulfonate) (NaPSS) as a function of polyelectrolyte concentration. Emphasis is on understanding the dependence of their SANS coherent scattering cross section I(Q) on the molecular architecture of single polyelectrolyte. The key finding is that for a given concentration, star polyelectrolytes exhibit more pronounced characteristic peaks in I(Q), and the position of the first peak occurs at a smaller Q compared to their linear counterparts. Based on a model of integral equation theory, we first compare the SANS experimental I(Q) of salt-free polyelectrolyte solutions with that predicted theoretically. Having seen their satisfactory qualitative agreement, the dependence of counterion association behavior on polyelectrolyte geometry and concentration is further explored. Our predictions reveal that the ionic environment of polyelectrolyte exhibits a strong dependence on polyelectrolyte geometry at lower polyelectrolyte concentration. However, when both linear and star polyelectrolytes exceed their overlap concentrations, the spatial distribution of counterion is found to be essentially insensitive to polyelectrolyte geometry due to the steric effect.",

author = "Shew, {Chwen Yang} and Changwoo Do and Kunlun Hong and Yun Liu and Lionel Porcar and Smith, {Gregory S.} and Chen, {Wei Ren}",

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AU - Do, Changwoo

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AU - Liu, Yun

AU - Porcar, Lionel

AU - Smith, Gregory S.

AU - Chen, Wei Ren

PY - 2012/7/14

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N2 - We present small angle neutron scattering (SANS) measurements of deuterium oxide (D 2O) solutions of linear and star sodium poly(styrene sulfonate) (NaPSS) as a function of polyelectrolyte concentration. Emphasis is on understanding the dependence of their SANS coherent scattering cross section I(Q) on the molecular architecture of single polyelectrolyte. The key finding is that for a given concentration, star polyelectrolytes exhibit more pronounced characteristic peaks in I(Q), and the position of the first peak occurs at a smaller Q compared to their linear counterparts. Based on a model of integral equation theory, we first compare the SANS experimental I(Q) of salt-free polyelectrolyte solutions with that predicted theoretically. Having seen their satisfactory qualitative agreement, the dependence of counterion association behavior on polyelectrolyte geometry and concentration is further explored. Our predictions reveal that the ionic environment of polyelectrolyte exhibits a strong dependence on polyelectrolyte geometry at lower polyelectrolyte concentration. However, when both linear and star polyelectrolytes exceed their overlap concentrations, the spatial distribution of counterion is found to be essentially insensitive to polyelectrolyte geometry due to the steric effect.

AB - We present small angle neutron scattering (SANS) measurements of deuterium oxide (D 2O) solutions of linear and star sodium poly(styrene sulfonate) (NaPSS) as a function of polyelectrolyte concentration. Emphasis is on understanding the dependence of their SANS coherent scattering cross section I(Q) on the molecular architecture of single polyelectrolyte. The key finding is that for a given concentration, star polyelectrolytes exhibit more pronounced characteristic peaks in I(Q), and the position of the first peak occurs at a smaller Q compared to their linear counterparts. Based on a model of integral equation theory, we first compare the SANS experimental I(Q) of salt-free polyelectrolyte solutions with that predicted theoretically. Having seen their satisfactory qualitative agreement, the dependence of counterion association behavior on polyelectrolyte geometry and concentration is further explored. Our predictions reveal that the ionic environment of polyelectrolyte exhibits a strong dependence on polyelectrolyte geometry at lower polyelectrolyte concentration. However, when both linear and star polyelectrolytes exceed their overlap concentrations, the spatial distribution of counterion is found to be essentially insensitive to polyelectrolyte geometry due to the steric effect.

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Conformational effect on small angle neutron scattering behavior of interacting polyelectrolyte solutions: A perspective of integral equation theory

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