Numerical Study of Two Opposing Weak Polyelectrolyte Brushes by the Self-consistent Field Theory

Bei-Ning Wang; Huan-Da Ding; Zhi-Kuan Chen; Chao-Hui Tong

doi:10.1007/s10118-024-3139-z

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Numerical Study of Two Opposing Weak Polyelectrolyte Brushes by the Self-consistent Field Theory

RESEARCH ARTICLE | Updated：2024-11-04

- Numerical Study of Two Opposing Weak Polyelectrolyte Brushes by the Self-consistent Field Theory
- Numerical Study of Two Opposing Weak Polyelectrolyte Brushes by the Self-consistent Field Theory
- 高分子科学（英文版） 2024年42卷第11期页码：1668-1678
- Affiliations：
  
  a.Department of Physics, Ningbo University, Ningbo 315211, China
  b.Ningbo Institute of Northwestern Polytechnical University, Ningbo 315103, China
- Author bio：
  
  tongchaohui@nbu.edu.cn
- Funds：
  
  This work was financially supported by the National Natural Science Foundation of China (No. 21774067) and The Foundation of Key Laboratory of Flexible Electronics of Zhejiang Province (No. 2023FE004). C. T. acknowledges the support from K. C. Wong Magna at Ningbo University.
- DOI：10.1007/s10118-024-3139-z
  中图分类号：
- 收稿：2024-02-20，
  
  修回：2024-04-01，
  
  录用：2024-04-07，
  
  网络首发：2024-06-05，
  
  纸质出版：2024-11-30
- Accepted：
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Wang, B. N.; Ding, H. D.; Chen, Z. K.; Tong, C. H. Numerical study of two opposing weak polyelectrolyte brushes by the self-consistent field theory. Chinese J. Polym. Sci. 2024, 42, 1668–1678

Bei-Ning Wang, Huan-Da Ding, Zhi-Kuan Chen, et al. Numerical Study of Two Opposing Weak Polyelectrolyte Brushes by the Self-consistent Field Theory[J]. Chinese Journal of Polymer Science, 2024, 42(11): 1668-1678.
Wang, B. N.; Ding, H. D.; Chen, Z. K.; Tong, C. H. Numerical study of two opposing weak polyelectrolyte brushes by the self-consistent field theory. Chinese J. Polym. Sci. 2024, 42, 1668–1678 DOI： 10.1007/s10118-024-3139-z.

Bei-Ning Wang, Huan-Da Ding, Zhi-Kuan Chen, et al. Numerical Study of Two Opposing Weak Polyelectrolyte Brushes by the Self-consistent Field Theory[J]. Chinese Journal of Polymer Science, 2024, 42(11): 1668-1678. DOI： 10.1007/s10118-024-3139-z.

摘要

The self-consistent field theory was employed to numerically study the interaction and interpenetration between two opposing weak polybase brushes. The grafted chains in the gap between the two grafting substrates retract and tilt in order to reduce the unfavorable electrostatic and steric repulsions between the two opposing brushes.

Abstract

The self-consistent field theory (SCFT) was employed to numerically study the interaction and interpenetration between two opposing weak polyelectrolyte (PE) brushes formed by grafting weak PE chains onto the surfaces of two long and parallel columns with rectangular-shaped cross-section immersed in a salty aqueous solution. The dependences of the brush heights and the average degree of ionization on various system parameters were also investigated. When the brush separation is relatively large compared with the unperturbed brush height

the degree of interpenetration between the two opposing PE brushes was found to increase with increasing grafting density and bulk degree of ionization. The degree of interpenetration also increases with the bulk salt concentration in the osmotic brush regime. Numerical results further revealed that

at a brush separation comparable to the unperturbed brush height

the degree of interpenetration does not increase further with increasing bulk degree of ionization

bulk salt concentration in the osmotic regime and grafting density. The saturation of the degree of interpenetration with these system parameters indicates that the grafted PE chains in the gap between the two columns retract and tilt in order to reduce the unfavorable electrostatic and steric repulsions between the two opposing PE brushes. Based on salt ion concentrations at the midpoint between the two opposing brushes

a quantitative criterion in terms of the unperturbed brush height and Debye screening length was established to determine the threshold value of the brush separation beyond which they are truly independent from each other.

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references

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