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- Title
Resource utilization of waste HFC-134a refrigerant by supercritical gasification method: A reactive molecular dynamic study.
- Authors
Yu, Wei; Liu, Chao; Li, Qibin; Xin, Liyong; Wang, Shukun
- Abstract
Effective treatment of HFCs (hydrofluorocarbons) waste refrigerants is of great significance for reducing greenhouse gas emissions. In this study, the supercritical water gasification method was applied to the treatment of waste HFCs refrigerants in order to realize the harmless treatment and resource utilization at the same time. Taking widely used HFC-134a (1,1,1,2-Tetrafluoroethane, CF 3 CFH 2) refrigerant as the research object, the gasification mechanism of HFC-134a in supercritical water was studied by the ReaxFF-MD, and the effect of temperature, reactant concentration and pressure on gasification was studied. The results show that the main products of HFC-134a gasification in supercritical water are HF, H 2 , CO and CO 2. HF is mainly generated by the hydrogen extraction reaction between F radicals and H 2 O molecules, and the energy barrier is only 31.3 kJ·mol−1. H 2 is mainly generated by the hydrogen extraction reaction between H radicals and H 2 O molecules and H atom-containing molecules or radicals. When the F, H radicals and H 2 O undergo hydrogen extraction reaction, a large number of OH radicals are generated, and the carbon-containing radicals combine with OH radicals to undergo a reforming reaction. After further removal of H and F atoms, CO and CO 2 are ultimately generated. Parametric analyses show that higher reaction temperature can speed up the reaction rate and improve the yields of CO and H 2 ; Lower reactant concentrations help to increase the yields of CO 2 and H 2 and have little effect on the yields of HF and CO; Higher pressure boosts the reaction rate to increase CO 2 and CH 4 yields but decrease the yields of HF, CO and H 2.
- Subjects
SUPERCRITICAL water; WASTE recycling; GREENHOUSE gas mitigation; REFRIGERANTS; CARBON dioxide; WASTE treatment
- Publication
Process Safety & Environmental Protection: Transactions of the Institution of Chemical Engineers Part B, 2022, Vol 168, p399
- ISSN
0957-5820
- Publication type
Article
- DOI
10.1016/j.psep.2022.09.081