High-pressure X-ray diffraction and vibrational spectroscopy of polyethylene: Evidence for a structural phase transition

D.M. Dattelbaum; E.D. Emmons; A.M. Covington; L.L. Stevens; N. Velisavljevic; B. Branch

doi:10.1016/j.vibspec.2020.103173

$High-pressure X-ray diffraction and vibrational spectroscopy of polyethylene: Evidence for a structural phase transition$

Journal article

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Peer reviewed

High-pressure X-ray diffraction and vibrational spectroscopy of polyethylene: Evidence for a structural phase transition

D.M. Dattelbaum, E.D. Emmons, A.M. Covington, L.L. Stevens, N. Velisavljevic and B. Branch

Vibrational spectroscopy, Vol.111, p.103173

11/2020

DOI: 10.1016/j.vibspec.2020.103173

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https://www.osti.gov/biblio/1699492View

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Abstract

High-pressure synchrotron x-ray diffraction and vibrational spectroscopy (infrared absorption and Raman) in a diamond-anvil cell have been performed for polyethylene samples at pressures up to ∼10 GPa. These two techniques yield complementary information on the inter- and intra-molecular bonds and how they change as a function of volume. Three different samples of polyethylene were examined, including a high-density polyethylene, an ultra-high molecular weight polyethylene, and a crosslinked polyethylene. The diffraction peaks for the common orthorhombic Pnam phase continuously decreases in intensity as the pressure is increased and become unobservable at high pressure, while those for a monoclinic A2/m impurity phase initially present in all three samples remain relatively constant in intensity. The monoclinic A2/m phase has two chains per unit cell, as does the ambient pressure orthorhombic Pnam phase, which is consistent with the lack of a change in the vibrational mode splitting patterns as pressure is increased and the monoclinic phase becomes dominant. In addition, the pressure-induced correlation splitting of the infrared active C–H stretching vibrational modes has been observed for the first time.

Equation of state

High pressure

Polyethylene

Polyme

Vibrational spectroscopy

Details

Title: Subtitle: High-pressure X-ray diffraction and vibrational spectroscopy of polyethylene: Evidence for a structural phase transition
Creators: D.M. Dattelbaum - Los Alamos National Laboratory
E.D. Emmons - University of Nevada, Reno
A.M. Covington - University of Nevada, Reno
L.L. Stevens - Los Alamos National Laboratory
N. Velisavljevic - Los Alamos National Laboratory
B. Branch - Los Alamos National Laboratory
Resource Type: Journal article
Publication Details: Vibrational spectroscopy, Vol.111, p.103173
DOI: 10.1016/j.vibspec.2020.103173
ISSN: 0924-2031
eISSN: 1873-3697
Publisher: Elsevier B.V
Grant note: name: DOE-BES, ; name: DOE-NNSA, ; name: NSF, and the; name: W.M. Keck Foundation. APS; DOI: 10.13039/100000001, name: National Science Foundation; name: ational Institutes of Health/National Institute of General Medical Sciences; name: U.S. DOE, award: DE-FC52-06NA27616
Language: English
Date published: 11/2020
Academic Unit: Pharmaceutical Sciences and Experimental Therapeutics
Record Identifier: 9984365881302771

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