Kinetics of deuterium exchange on resorcinol in D{sub 2}O at high pressure and high temperature
The kinetics of deuteration of resorcinol in pure D{sub 2}O were studied for the first time using a flow-through capillary tubular reactor with on-line, proton, and deuterium NMR detection at high temperatures and high pressure. The global rate constants for hydrogen/deuterium (H/D) exchange were determined from temperatures of 200--450 C (723 K) at a pressure of {approximately}400 bar (the critical temperature and pressure of water are 374.2 C and 218.3 bar, respectively). The H/D exchange rate in resorcinol (1,3-dihydroxybenzene) under these extreme conditions was determined using proton NMR as a function of the resorcinol residence time in a capillary tubular reactor, which also served as a high-pressure NMR cell. The {sup 1}H and {sup 2}H NMR results indicate that H/D exchange in resorcinol for the ring protons was observed at temperatures as low as 200 C. The kinetics of H/D exchange in resorcinol and the activation energy was extracted from the experimental {sup 1}H NMR data.
- Research Organization:
- Pacific Northwest National Lab., Richland, WA (US)
- Sponsoring Organization:
- US Department of Energy
- DOE Contract Number:
- AC06-76RL01830
- OSTI ID:
- 20017469
- Journal Information:
- Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment, amp General Theory, Journal Name: Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment, amp General Theory Journal Issue: 1 Vol. 104; ISSN 1089-5639; ISSN JPCAFH
- Country of Publication:
- United States
- Language:
- English
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