Ab intio Investigation of the Thermochemistry and Kinetics of the SO2 + O3− → SO3− + O2 Reaction in Aircraft Engines and the Environment
In the present work, the mechanisms, thermochemistry and kinetics of the reaction of SO2 with O3− have been studied using the CCSD(T)/6-31G(d) + CF method. It has been shown that there exist two possible pathways A and B of the SO2 + O3− → SO3− + O2 reaction. The two pathways’ A and B barrier height...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2014-12-01
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| Series: | Entropy |
| Subjects: | |
| Online Access: | http://www.mdpi.com/1099-4300/16/12/6300 |