Direct estimation of polymer crystallinity with Raman spectroscopy using ratio of scattering cross-sections estimated from variable temperature measurements

Research output: Contribution to journalArticle

Abstract

Physical properties of polymers (e.g. crystallinity, lamella thickness, thermodynamic properties etc.) can in principle be reliably estimated from their Raman spectral intensities by converting intensities to corresponding concentrations of conformers. However, such conversions are not straightforward due to the unknown scattering cross-sections. The study demonstrates that for several practical applications of Raman spectroscopy, a ratio of cross-sections can be used instead of the absolute values. A straight forwards method for accurately estimating ratio of scattering cross-section from variable temperature measurements is described here. In order to demonstrate its applicability, percent crystallinity (PC) of polyethylene has been directly estimated from Raman intensities without external calibration with other techniques. This general method can be applied to any polymer when there is a continuous change in composition of conformers over a range of temperatures.

Original languageEnglish
Article number117431
JournalSpectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Volume224
DOIs
Publication statusPublished - 2020 Jan 5

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Temperature measurement
scattering cross sections
temperature measurement
Raman spectroscopy
crystallinity
Polymers
Scattering
polymers
Polyethylene
Polyethylenes
Thermodynamic properties
Physical properties
Calibration
lamella
polyethylenes
estimating
thermodynamic properties
physical properties
Chemical analysis
cross sections

ASJC Scopus subject areas

  • Analytical Chemistry
  • Atomic and Molecular Physics, and Optics
  • Instrumentation
  • Spectroscopy

Cite this

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title = "Direct estimation of polymer crystallinity with Raman spectroscopy using ratio of scattering cross-sections estimated from variable temperature measurements",
abstract = "Physical properties of polymers (e.g. crystallinity, lamella thickness, thermodynamic properties etc.) can in principle be reliably estimated from their Raman spectral intensities by converting intensities to corresponding concentrations of conformers. However, such conversions are not straightforward due to the unknown scattering cross-sections. The study demonstrates that for several practical applications of Raman spectroscopy, a ratio of cross-sections can be used instead of the absolute values. A straight forwards method for accurately estimating ratio of scattering cross-section from variable temperature measurements is described here. In order to demonstrate its applicability, percent crystallinity (PC) of polyethylene has been directly estimated from Raman intensities without external calibration with other techniques. This general method can be applied to any polymer when there is a continuous change in composition of conformers over a range of temperatures.",
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AB - Physical properties of polymers (e.g. crystallinity, lamella thickness, thermodynamic properties etc.) can in principle be reliably estimated from their Raman spectral intensities by converting intensities to corresponding concentrations of conformers. However, such conversions are not straightforward due to the unknown scattering cross-sections. The study demonstrates that for several practical applications of Raman spectroscopy, a ratio of cross-sections can be used instead of the absolute values. A straight forwards method for accurately estimating ratio of scattering cross-section from variable temperature measurements is described here. In order to demonstrate its applicability, percent crystallinity (PC) of polyethylene has been directly estimated from Raman intensities without external calibration with other techniques. This general method can be applied to any polymer when there is a continuous change in composition of conformers over a range of temperatures.

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