Analysis of gas product changes during pyrolysis of oily sludge based on density functional theory calculation
Qian Wen
State Key Laboratory of Petroleum Pollution Control, Beijing, P. R. China
CNPC Research Institute of Safety and Environmental Technology, Beijing, P. R. China
Search for more papers by this authorCorresponding Author
Wencai Cheng
Fundamental Science on Nuclear Wastes and Environmental Safety Laboratory, Southwest University of Science and Technology, Mianyang, P. R. China
National Co-innovation Center for Nuclear Waste Disposal and Environmental Safety, Southwest University of Science and Technology, Mianyang, P. R. China
Correspondence
Wencai Cheng and Xirui Lu, Fundamental Science on Nuclear Wastes and Environmental Safety Laboratory, Southwest University of Science and Technology, Mianyang 621010, P. R. China.
Email: [email protected] and [email protected]
Search for more papers by this authorDujiang Liu
National Co-innovation Center for Nuclear Waste Disposal and Environmental Safety, Southwest University of Science and Technology, Mianyang, P. R. China
Search for more papers by this authorXiaoyi Cui
National Co-innovation Center for Nuclear Waste Disposal and Environmental Safety, Southwest University of Science and Technology, Mianyang, P. R. China
Search for more papers by this authorZhiguo Shao
State Key Laboratory of Petroleum Pollution Control, Beijing, P. R. China
CNPC Research Institute of Safety and Environmental Technology, Beijing, P. R. China
Search for more papers by this authorShipei Xu
State Key Laboratory of Petroleum Pollution Control, Beijing, P. R. China
CNPC Research Institute of Safety and Environmental Technology, Beijing, P. R. China
Search for more papers by this authorZhicheng He
Human Resources Department of Petrochina Sichuan Marketing Company, Chengdu, P. R. China
Search for more papers by this authorCorresponding Author
Xirui Lu
Fundamental Science on Nuclear Wastes and Environmental Safety Laboratory, Southwest University of Science and Technology, Mianyang, P. R. China
National Co-innovation Center for Nuclear Waste Disposal and Environmental Safety, Southwest University of Science and Technology, Mianyang, P. R. China
State Key Laboratory of Environment-Friendly Energy Materials, Southwest University of Science and Technology, Mianyang, P. R. China
Correspondence
Wencai Cheng and Xirui Lu, Fundamental Science on Nuclear Wastes and Environmental Safety Laboratory, Southwest University of Science and Technology, Mianyang 621010, P. R. China.
Email: [email protected] and [email protected]
Search for more papers by this authorQian Wen
State Key Laboratory of Petroleum Pollution Control, Beijing, P. R. China
CNPC Research Institute of Safety and Environmental Technology, Beijing, P. R. China
Search for more papers by this authorCorresponding Author
Wencai Cheng
Fundamental Science on Nuclear Wastes and Environmental Safety Laboratory, Southwest University of Science and Technology, Mianyang, P. R. China
National Co-innovation Center for Nuclear Waste Disposal and Environmental Safety, Southwest University of Science and Technology, Mianyang, P. R. China
Correspondence
Wencai Cheng and Xirui Lu, Fundamental Science on Nuclear Wastes and Environmental Safety Laboratory, Southwest University of Science and Technology, Mianyang 621010, P. R. China.
Email: [email protected] and [email protected]
Search for more papers by this authorDujiang Liu
National Co-innovation Center for Nuclear Waste Disposal and Environmental Safety, Southwest University of Science and Technology, Mianyang, P. R. China
Search for more papers by this authorXiaoyi Cui
National Co-innovation Center for Nuclear Waste Disposal and Environmental Safety, Southwest University of Science and Technology, Mianyang, P. R. China
Search for more papers by this authorZhiguo Shao
State Key Laboratory of Petroleum Pollution Control, Beijing, P. R. China
CNPC Research Institute of Safety and Environmental Technology, Beijing, P. R. China
Search for more papers by this authorShipei Xu
State Key Laboratory of Petroleum Pollution Control, Beijing, P. R. China
CNPC Research Institute of Safety and Environmental Technology, Beijing, P. R. China
Search for more papers by this authorZhicheng He
Human Resources Department of Petrochina Sichuan Marketing Company, Chengdu, P. R. China
Search for more papers by this authorCorresponding Author
Xirui Lu
Fundamental Science on Nuclear Wastes and Environmental Safety Laboratory, Southwest University of Science and Technology, Mianyang, P. R. China
National Co-innovation Center for Nuclear Waste Disposal and Environmental Safety, Southwest University of Science and Technology, Mianyang, P. R. China
State Key Laboratory of Environment-Friendly Energy Materials, Southwest University of Science and Technology, Mianyang, P. R. China
Correspondence
Wencai Cheng and Xirui Lu, Fundamental Science on Nuclear Wastes and Environmental Safety Laboratory, Southwest University of Science and Technology, Mianyang 621010, P. R. China.
Email: [email protected] and [email protected]
Search for more papers by this authorAbstract
Oily sludge is a kind of harmful solid waste produced by the petroleum industry. It is the key point of research to understand the mechanism of gas product changes during the pyrolysis process. This study combined density functional theory (DFT) calculation with a pyrolysis experiment to explore the changes in pyrolytic gas products from oily sludge. The results of thermogravimetric–mass spectrometry (TG–MS) and gas chromatography–mass spectrometry (GC–MS) showed that the gas products below 400°C were dominated by long-chain hydrocarbons, but with the increase of the treatment temperature, the long-chain hydrocarbons will decrease. The results of kinetics and thermodynamics showed that there were five stages of pyrolysis of oily sludge, and the values of E, ΔH, and ΔG were increased with the increase of pyrolysis temperature. The DFT calculation revealed that there were delocalized π-electrons at the fracture-prone sites, and the electrons on the functional groups of the molecule were more easily excited. The results can provide ideas for the pyrolysis mechanism of oily sludge and theoretical support for the optimization of the pyrolysis process.
CONFLICT OF INTEREST STATEMENT
The authors declare no conflicts of interest.
Supporting Information
| Filename | Description |
|---|---|
| apj2935-sup-0001-Supporting Information.docxWord 2007 document , 1.7 MB |
Data S1. Detailed thermodynamic simulation information; XRF and organic elemental data; thermodynamic and kinetic data; the picture of oily sludge and GC–MS results for gas products. |
Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.
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