Degradation Behavior of NBR Seals Exposed to Halogenated Olefins under Coupled Thermal and Mechanical Loads: A Multiscale Experimental and Computational Study
- 1Civil Aviation University of China , , ,
Abstract
Halogenated olefins are promising low-GWP substitutes for traditional halocarbons in refrigeration, fire protection, and energy storage, but their compatibility with elastomeric seals poses a potential safety risk in process systems. This study systematically investigates the degradation behavior of nitrile butadiene rubber (NBR) exposed to five representative halogenated olefins-namely, 2-bromo-3,3,3-trifluoropropene (2-BTP), 2-chloro-3,3,3-trifluoropropene (R1233xf), 2,3,3,3-tetrafluoropropene (R1234yf), cis-1,3,3,3-tetrafluoropropene (R1234ze(Z)), and trans-1,3,3,3-tetrafluoropropene (R1234ze(E))-under simulated service conditions (0–70 °C, 0–2000 N compressive load, 15–45 days). Overall, the performance evolution of NBR exhibits a strong dependence on environmental conditions, and is closely correlated with the molecular architecture of halogenated olefins. 2-BTP caused the most severe damage (compression set: 31.18%; hardness loss: 14.38%; compressive strength loss: 41.35%), while fluorinated olefins showed weaker effects. Microscopic and spectroscopic analyses confirmed surface roughening, microcracking, halogen penetration, and formation of C–X (X = F, Cl, Br) bonds. Molecular dynamics simulations revealed that thermal energy weakens intermolecular interactions, whereas compressive stress induces chain orientation and free-volume redistribution, synergistically enhancing diffusion. The diffusion coefficients follow R1234ze(E) > R1234yf > R1234ze(Z) > R1233xf >2-BTP. Density functional theory calculations confirm that halogen radicals attack NBR’s C═C and −CN groups via low-barrier pathways. These findings elucidate the degradation mechanisms of NBR seals and provide practical engineering guidance for material selection and failure prevention, contributing to safer process design with halogenated olefins.
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BibTeX
@article{fang2026degradation,
title = {{Degradation Behavior of NBR Seals Exposed to Halogenated Olefins under Coupled Thermal and Mechanical Loads: A Multiscale Experimental and Computational Study}},
author = {Junjie Fang and Yujia Huo and Jin Wang and Xin Huang and Xiaomeng Zhou},
journal = {ACS Omega},
year = {2026},
month = oct,
doi = {10.1021/acsomega.6c08101},
url = {https://pubs.acs.org/acsodf/article/11/42/65411/5451625/Degradation-Behavior-of-NBR-Seals-Exposed-to},
note = {CC BY-NC-ND 4.0},
}
RIS
TY - JOUR
TI - Degradation Behavior of NBR Seals Exposed to Halogenated Olefins under Coupled Thermal and Mechanical Loads: A Multiscale Experimental and Computational Study
AU - Junjie Fang
AU - Yujia Huo
AU - Jin Wang
AU - Xin Huang
AU - Xiaomeng Zhou
PY - 2026
DA - 2026/10/15
JO - ACS Omega
DO - 10.1021/acsomega.6c08101
UR - https://pubs.acs.org/acsodf/article/11/42/65411/5451625/Degradation-Behavior-of-NBR-Seals-Exposed-to
AB - Halogenated olefins are promising low-GWP substitutes for traditional halocarbons in refrigeration, fire protection, and energy storage, but their compatibility with elastomeric seals poses a potential safety risk in process systems. This study systematically investigates the degradation behavior of nitrile butadiene rubber (NBR) exposed to five representative halogenated olefins-namely, 2-bromo-3,3,3-trifluoropropene (2-BTP), 2-chloro-3,3,3-trifluoropropene (R1233xf), 2,3,3,3-tetrafluoropropene (R1234yf), cis-1,3,3,3-tetrafluoropropene (R1234ze(Z)), and trans-1,3,3,3-tetrafluoropropene (R1234ze(E))-under simulated service conditions (0–70 °C, 0–2000 N compressive load, 15–45 days). Overall, the performance evolution of NBR exhibits a strong dependence on environmental conditions, and is closely correlated with the molecular architecture of halogenated olefins. 2-BTP caused the most severe damage (compression set: 31.18%; hardness loss: 14.38%; compressive strength loss: 41.35%), while fluorinated olefins showed weaker effects. Microscopic and spectroscopic analyses confirmed surface roughening, microcracking, halogen penetration, and formation of C–X (X = F, Cl, Br) bonds. Molecular dynamics simulations revealed that thermal energy weakens intermolecular interactions, whereas compressive stress induces chain orientation and free-volume redistribution, synergistically enhancing diffusion. The diffusion coefficients follow R1234ze(E) > R1234yf > R1234ze(Z) > R1233xf >2-BTP. Density functional theory calculations confirm that halogen radicals attack NBR’s C═C and −CN groups via low-barrier pathways. These findings elucidate the degradation mechanisms of NBR seals and provide practical engineering guidance for material selection and failure prevention, contributing to safer process design with halogenated olefins.
SN - 2470-1343
ER -