dc.creator | Cobos, Carlos Jorge | |
dc.creator | Hintzer, K. | |
dc.creator | Sölter, L. | |
dc.creator | Tellbach, E. | |
dc.creator | Morgenthaler, Annick | |
dc.creator | Troetsch, Yeicol | |
dc.date.accessioned | 2022-10-06T02:46:12Z | |
dc.date.accessioned | 2022-10-15T06:33:51Z | |
dc.date.available | 2022-10-06T02:46:12Z | |
dc.date.available | 2022-10-15T06:33:51Z | |
dc.date.created | 2022-10-06T02:46:12Z | |
dc.date.issued | 2021-07 | |
dc.identifier | Cobos, Carlos Jorge; Hintzer, K.; Sölter, L.; Tellbach, E.; Morgenthaler, Annick; et al.; High-Temperature Fluorocarbon Chemistry Revisited; American Chemical Society; Journal of Physical Chemistry A; 125; 25; 7-2021; 5626-5632 | |
dc.identifier | 1089-5639 | |
dc.identifier | http://hdl.handle.net/11336/172103 | |
dc.identifier | CONICET Digital | |
dc.identifier | CONICET | |
dc.identifier.uri | https://repositorioslatinoamericanos.uchile.cl/handle/2250/4355786 | |
dc.description.abstract | The thermal dissociation reactions of C2F4and C2F6were studied in shock waves over the temperature range 1000-4000 K using UV absorption spectroscopy. Absorption cross sections of C2F4, CF2, CF, and C2were derived and related to quantum-chemically modeled oscillator strengths. After confirming earlier results for the dissociation rates of C2F4, CF3, and CF2, the kinetics of secondary reactions were investigated. For example, the reaction CF2+ CF2→ CF + CF3was identified. Its rate constant of 1010cm3mol-1s-1near 2400 K is markedly larger than the limiting high-pressure rate constant of the dimerization CF2+ CF2→ C2F4, suggesting that the reaction follows a different path. When the measurements of the thermal dissociation CF2(+Ar) → CF + F (+Ar) are extended to temperatures above 2500 K, the formation of C2radicals was shown to involve the reaction CF + CF → C2F + F (modeled rate constant 8.0 × 1012(T/3500 K)1.0exp(−4400 K/T) cm3mol-1s-1) and the subsequent dissociation C2F (+Ar) → C2+ F + (Ar) (modeled limiting low-pressure rate constant 3.0 × 1016(T/3500 K)−4.0exp(−56880 K/T) cm3mol-1s-1). This mechanism was validated by monitoring the dissociation of C2at temperatures close to 4000 K. Temperature- and pressure-dependences of rate constants of reactions involved in the system were modeled by quantum-chemistry based rate theory. | |
dc.language | eng | |
dc.publisher | American Chemical Society | |
dc.relation | info:eu-repo/semantics/altIdentifier/doi/https://doi.org/10.1021/acs.jpca.1c03654 | |
dc.relation | info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/acs.jpca.1c03654 | |
dc.rights | https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ | |
dc.rights | info:eu-repo/semantics/restrictedAccess | |
dc.subject | High-Temperature | |
dc.subject | Fluorocarbon | |
dc.title | High-Temperature Fluorocarbon Chemistry Revisited | |
dc.type | info:eu-repo/semantics/article | |
dc.type | info:ar-repo/semantics/artículo | |
dc.type | info:eu-repo/semantics/publishedVersion | |