Studies of Ozone-Sensitized Low- And High-Temperature Oxidations of Diethyl Carbonate

Hao Zhao, Shixiang Liu, Chao Yan, Can Huang, Yongfeng Qi, Feng Zhang, Yiguang Ju

Research output: Contribution to journalArticlepeer-review

Abstract

Diethyl carbonate (DEC) oxidation with different levels of O3 addition was performed in an atmospheric laminar flow reactor from 400 to 850 K. Experimental results showed that, without O3 addition, the oxidation of DEC began from 650 K with no low-temperature reactivity, while with O3 addition the low-temperature chemistry of DEC was observed from 450 K. A DEC/O3 kinetic model was developed, and the model predictions agreed with the experimental data reasonably well with a slight overprediction of DEC oxidation between 550 and 750 K. The low-temperature chemistry of DEC with O3 addition was described in the reaction pathway of DEC. It was found that O3 assisted the low-temperature oxidation of DEC mainly through the production of the active O: atom instead of the direct reaction with the fuel molecule. The present work indicated that the Li-ion battery degradation at 400-500 K might result from the low-temperature chemistry of DEC with active oxygen supplies from the cathode metal oxide materials or from singlet O2 during the battery discharge process. This article used O3 to mimic the oxidizing environment in the Li-ion battery by providing active atomic oxygen. It provided insights into the chemically sensitized gas-phase low-temperature chemistry of DEC and explained the mechanism of battery degradation involving the low-temperature oxidation at the electrolyte solvent and the cathode interface from 400 to 500 K.

Original languageEnglish (US)
Pages (from-to)1760-1765
Number of pages6
JournalJournal of Physical Chemistry A
Volume125
Issue number8
DOIs
StatePublished - Mar 4 2021

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry

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