Application of principal component analysis-based two-dimensional correlation spectroscopy to characterization of order-disorder transition of polystyrene-block-poly(n-pentyl methacrylate) copolymer

Young Mee Jung, Hye Jeong Kim, Du Yeol Ryu, Seung Bin Kim, Jin Kon Kim

Research output: Contribution to journalArticle

16 Citations (Scopus)

Abstract

Principal component analysis-based two-dimensional (PCA2D) correlation spectroscopy through eigenvalue manipulating transformation (EMT) of spectral data set was applied to temperature-dependent IR spectra of polystyrene-block-poly(n-pentyl methacrylate) (PS-PnPMA) for spectral selectivity enhancement. EMT technique which uniformly lowers the power of a set of eigenvalues associated with the original data highlights the subtle contributions from minor eigenvectors. Thus subtle differences in the thermal responses of PS-PnPMA, which are difficult to observe by conventional 2D correlation analysis, are accentuated much more strongly than the original data. A conclusion was reached on details of phase transition of PS-PnPMA which exhibited a closed-loop phase behavior bounded by a lower disorder-to-order transition (LDOT) and an upper order-to-disorder transition (UODT). We found that a disordered state at lower temperature is different from that at higher temperature.

Original languageEnglish
Pages (from-to)96-101
Number of pages6
JournalJournal of Molecular Structure
Volume799
Issue number1-3
DOIs
Publication statusPublished - 2006 Nov 6

Fingerprint

Order disorder transitions
Methacrylates
Polystyrenes
Principal component analysis
Copolymers
Spectroscopy
Phase behavior
Eigenvalues and eigenfunctions
Temperature
Phase transitions

All Science Journal Classification (ASJC) codes

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

Cite this

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title = "Application of principal component analysis-based two-dimensional correlation spectroscopy to characterization of order-disorder transition of polystyrene-block-poly(n-pentyl methacrylate) copolymer",
abstract = "Principal component analysis-based two-dimensional (PCA2D) correlation spectroscopy through eigenvalue manipulating transformation (EMT) of spectral data set was applied to temperature-dependent IR spectra of polystyrene-block-poly(n-pentyl methacrylate) (PS-PnPMA) for spectral selectivity enhancement. EMT technique which uniformly lowers the power of a set of eigenvalues associated with the original data highlights the subtle contributions from minor eigenvectors. Thus subtle differences in the thermal responses of PS-PnPMA, which are difficult to observe by conventional 2D correlation analysis, are accentuated much more strongly than the original data. A conclusion was reached on details of phase transition of PS-PnPMA which exhibited a closed-loop phase behavior bounded by a lower disorder-to-order transition (LDOT) and an upper order-to-disorder transition (UODT). We found that a disordered state at lower temperature is different from that at higher temperature.",
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Application of principal component analysis-based two-dimensional correlation spectroscopy to characterization of order-disorder transition of polystyrene-block-poly(n-pentyl methacrylate) copolymer. / Jung, Young Mee; Kim, Hye Jeong; Ryu, Du Yeol; Kim, Seung Bin; Kim, Jin Kon.

In: Journal of Molecular Structure, Vol. 799, No. 1-3, 06.11.2006, p. 96-101.

Research output: Contribution to journalArticle

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AB - Principal component analysis-based two-dimensional (PCA2D) correlation spectroscopy through eigenvalue manipulating transformation (EMT) of spectral data set was applied to temperature-dependent IR spectra of polystyrene-block-poly(n-pentyl methacrylate) (PS-PnPMA) for spectral selectivity enhancement. EMT technique which uniformly lowers the power of a set of eigenvalues associated with the original data highlights the subtle contributions from minor eigenvectors. Thus subtle differences in the thermal responses of PS-PnPMA, which are difficult to observe by conventional 2D correlation analysis, are accentuated much more strongly than the original data. A conclusion was reached on details of phase transition of PS-PnPMA which exhibited a closed-loop phase behavior bounded by a lower disorder-to-order transition (LDOT) and an upper order-to-disorder transition (UODT). We found that a disordered state at lower temperature is different from that at higher temperature.

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