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Title: IR spectroscopic quantification of small molecule transport and desorption phenomena in polymers

Abstract

The application, continued performance, and degradation behavior of polymers often depends on their interaction with small organic or gaseous volatiles. Understanding the underlying permeation and diffusion properties of materials is crucial for predicting their barrier properties (permeant flux), drying behavior, solvent loss or tendency to trap small molecules, as well as their interaction with materials in the vicinity due to off-gassing phenomena, perhaps leading to compatibility concerns. Further, the diffusion of low Mw organics is also important for mechanistic aspects of degradation processes. Based on our need for improved characterization methods, a FTIR-based spectroscopic gas/volatile quantification setup was designed and evaluated for determination of the diffusion, desorption and transport behavior of small IR-active molecules in polymers. At the core of the method, a modified, commercially available IR transmission gas cell monitors time-dependent gas concentration. Appropriate experimental conditions, e.g. desorption or permeation under continuous flow or static gas conditions, are achieved using easily adaptable external components such as flow controllers and sample ampoules. This study presents overview approaches using the same IR detection methodology to determine diffusivity (desorption into a static gas environment, continuous gas flow, or intermittent desorption) and permeability (static and dynamic flow detection). Further, the challenges encountered formore » design and setup of IR gas quantification experiments, related to calibration and gas interaction, are presented. These methods establish desorption and permeation behavior of solvents (water and methanol), CO 2 off-gassing from foam, and offer simultaneous measurements of the permeation of several gases in a gas mixture (CO 2, CO and CH 4) through polymer films such as epoxy and Kapton. They offer complementary guidance for material diagnostics and understanding of basic properties in sorption and transport behavior often of relevance to polymer degradation or materials reliability phenomena.« less

Authors:
 [1];  [1]
  1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Publication Date:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1507404
Report Number(s):
SAND2019-3603J
Journal ID: ISSN 0141-3910; 674063
Grant/Contract Number:  
AC04-94AL85000
Resource Type:
Accepted Manuscript
Journal Name:
Polymer Degradation and Stability
Additional Journal Information:
Journal Volume: 162; Journal Issue: C; Journal ID: ISSN 0141-3910
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Linde, Erik, and Celina, Mathew C. IR spectroscopic quantification of small molecule transport and desorption phenomena in polymers. United States: N. p., 2019. Web. doi:10.1016/j.polymdegradstab.2019.02.017.
Linde, Erik, & Celina, Mathew C. IR spectroscopic quantification of small molecule transport and desorption phenomena in polymers. United States. doi:10.1016/j.polymdegradstab.2019.02.017.
Linde, Erik, and Celina, Mathew C. Wed . "IR spectroscopic quantification of small molecule transport and desorption phenomena in polymers". United States. doi:10.1016/j.polymdegradstab.2019.02.017.
@article{osti_1507404,
title = {IR spectroscopic quantification of small molecule transport and desorption phenomena in polymers},
author = {Linde, Erik and Celina, Mathew C.},
abstractNote = {The application, continued performance, and degradation behavior of polymers often depends on their interaction with small organic or gaseous volatiles. Understanding the underlying permeation and diffusion properties of materials is crucial for predicting their barrier properties (permeant flux), drying behavior, solvent loss or tendency to trap small molecules, as well as their interaction with materials in the vicinity due to off-gassing phenomena, perhaps leading to compatibility concerns. Further, the diffusion of low Mw organics is also important for mechanistic aspects of degradation processes. Based on our need for improved characterization methods, a FTIR-based spectroscopic gas/volatile quantification setup was designed and evaluated for determination of the diffusion, desorption and transport behavior of small IR-active molecules in polymers. At the core of the method, a modified, commercially available IR transmission gas cell monitors time-dependent gas concentration. Appropriate experimental conditions, e.g. desorption or permeation under continuous flow or static gas conditions, are achieved using easily adaptable external components such as flow controllers and sample ampoules. This study presents overview approaches using the same IR detection methodology to determine diffusivity (desorption into a static gas environment, continuous gas flow, or intermittent desorption) and permeability (static and dynamic flow detection). Further, the challenges encountered for design and setup of IR gas quantification experiments, related to calibration and gas interaction, are presented. These methods establish desorption and permeation behavior of solvents (water and methanol), CO2 off-gassing from foam, and offer simultaneous measurements of the permeation of several gases in a gas mixture (CO2, CO and CH4) through polymer films such as epoxy and Kapton. They offer complementary guidance for material diagnostics and understanding of basic properties in sorption and transport behavior often of relevance to polymer degradation or materials reliability phenomena.},
doi = {10.1016/j.polymdegradstab.2019.02.017},
journal = {Polymer Degradation and Stability},
number = C,
volume = 162,
place = {United States},
year = {2019},
month = {2}
}

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