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Study of the kinetics, mechanisms and catalysis activity of photo-electro degradation of organic pollutants via new neural network based methodology

Yu, Han LU ; Zhang, Zhenzong ; Zhan, Sihui ; Song, Shuyan ; Sun, Shengmin ; Zhang, Hui LU ; Zhang, Linus LU orcid and Yu, Hongbing (2023) In Applied Catalysis B: Environmental 323.
Abstract
A novel calculation methodology containing modeling and statistics was developed to assist the experimental process for the investigation of organics treatment process. A continuous-flow photo-electro treatment of Norfloxacin (NOR) was chosen as a target subject. The methodology is based on a new synergistic work of reaction energy calculation, full-scanned neural network (NN) simulation and new physical kinetics modeling. Degradation kinetics, mechanisms and activity of degradation catalyst, etc., were studied. As a result, the reaction energy calculation figured out eight potential degradation pathways of NOR with the corresponding intermediate. NN process with fully scanned parameters showed dominating advantage compared to non-linear... (More)
A novel calculation methodology containing modeling and statistics was developed to assist the experimental process for the investigation of organics treatment process. A continuous-flow photo-electro treatment of Norfloxacin (NOR) was chosen as a target subject. The methodology is based on a new synergistic work of reaction energy calculation, full-scanned neural network (NN) simulation and new physical kinetics modeling. Degradation kinetics, mechanisms and activity of degradation catalyst, etc., were studied. As a result, the reaction energy calculation figured out eight potential degradation pathways of NOR with the corresponding intermediate. NN process with fully scanned parameters showed dominating advantage compared to non-linear regression and first-order law in simulation work. With the obtained database from NN, the new physical model successfully distributed degradation contribution into direct, indirect and water flow routes. The new methodology helped to gain more valuable information with less experimental work, which guided the efficient and greener investigation process in corresponding studies. (Less)
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author
; ; ; ; ; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Photo-electro treatment, Organics degradation, Modeling, Grey relation analysis, Principal component analysis
in
Applied Catalysis B: Environmental
volume
323
article number
122184
pages
11 pages
publisher
Elsevier
external identifiers
  • scopus:85142137282
ISSN
0926-3373
DOI
10.1016/j.apcatb.2022.122184
language
English
LU publication?
yes
id
84ae92a6-5f5a-4dd7-8773-3bf9b99d0e0f
date added to LUP
2022-11-22 11:37:15
date last changed
2023-01-31 11:23:16
@article{84ae92a6-5f5a-4dd7-8773-3bf9b99d0e0f,
  abstract     = {{A novel calculation methodology containing modeling and statistics was developed to assist the experimental process for the investigation of organics treatment process. A continuous-flow photo-electro treatment of Norfloxacin (NOR) was chosen as a target subject. The methodology is based on a new synergistic work of reaction energy calculation, full-scanned neural network (NN) simulation and new physical kinetics modeling. Degradation kinetics, mechanisms and activity of degradation catalyst, etc., were studied. As a result, the reaction energy calculation figured out eight potential degradation pathways of NOR with the corresponding intermediate. NN process with fully scanned parameters showed dominating advantage compared to non-linear regression and first-order law in simulation work. With the obtained database from NN, the new physical model successfully distributed degradation contribution into direct, indirect and water flow routes. The new methodology helped to gain more valuable information with less experimental work, which guided the efficient and greener investigation process in corresponding studies.}},
  author       = {{Yu, Han and Zhang, Zhenzong and Zhan, Sihui and Song, Shuyan and Sun, Shengmin and Zhang, Hui and Zhang, Linus and Yu, Hongbing}},
  issn         = {{0926-3373}},
  keywords     = {{Photo-electro treatment; Organics degradation; Modeling; Grey relation analysis; Principal component analysis}},
  language     = {{eng}},
  publisher    = {{Elsevier}},
  series       = {{Applied Catalysis B: Environmental}},
  title        = {{Study of the kinetics, mechanisms and catalysis activity of photo-electro degradation of organic pollutants via new neural network based methodology}},
  url          = {{http://dx.doi.org/10.1016/j.apcatb.2022.122184}},
  doi          = {{10.1016/j.apcatb.2022.122184}},
  volume       = {{323}},
  year         = {{2023}},
}