PMID- 33049566
OWN - NLM
STAT- MEDLINE
DCOM- 20201209
LR  - 20201214
IS  - 1879-2448 (Electronic)
IS  - 0043-1354 (Linking)
VI  - 188
DP  - 2021 Jan 1
TI  - Dechlorination of 2,4-dichlorophenol in a hydrogen-based membrane palladium-film 
      reactor: Performance, mechanisms, and model development.
PG  - 116465
LID - S0043-1354(20)31000-9 [pii]
LID - 10.1016/j.watres.2020.116465 [doi]
AB  - We created a hydrogen-based membrane palladium-film reactor (MPfR) by depositing 
      palladium nanoparticles (PdNPs) on hollow-fiber membranes via autocatalytic 
      hydrogenation to form a Pd-film. The MPfR was used for hydrodechlorination (HDC) 
      of 2,4-dichlorophenol (2,4-DCP). HDC performances and mechanisms were 
      systematically evaluated, and a continuous-flow dechlorination model was 
      established. Approximately 87% of the input 2,4-DCP was reduced to the 
      end-product phenol (P), while 2-chlorophenol (2-CP) was an intermediate, but only 
      at 2%. Selective adsorption of the 2,4-DCP onto the Pd-film and fast desorption 
      of P facilitated efficient dechlorination. Modeling results represented well the 
      concentrations of 2,4-DCP and its intermediates. It demonstrated three 
      dechlorination pathways: The majority of 2,4-DCP was completely dechlorinated to 
      P in an adsorbed state without release of monochlorphenol, some 2,4-DCP was 
      degraded to 2-CP that was released and subsequently adsorbed and reduced to P, 
      and a small amount was reduced to 4-CP that was released and subsequently 
      adsorbed and reduced to P. Analysis based on Density Functional Theory suggests 
      that the pathway of full dechlorination was dominant due to its thermodynamically 
      favorable adsorption configuration, with both Cl atoms bonded to Pd. This study 
      documents full dechlorination of 2,4-DCP in the MPfR and the interacting roles of 
      adsorption and HDC.
CI  - Copyright (c) 2020. Published by Elsevier Ltd.
FAU - Wu, Chengyang
AU  - Wu C
AD  - State Key Laboratory of Pollution Control and Resource Reuse, College of 
      Environmental Science and Engineering, Tongji University, Shanghai 200092, China; 
      Shanghai Institute of Pollution Control and Ecological Security, Shanghai 200092, 
      China.
FAU - Zhou, Luman
AU  - Zhou L
AD  - State Key Laboratory of Pollution Control and Resource Reuse, College of 
      Environmental Science and Engineering, Tongji University, Shanghai 200092, China; 
      Shanghai Institute of Pollution Control and Ecological Security, Shanghai 200092, 
      China.
FAU - Zhou, Yun
AU  - Zhou Y
AD  - University of Alberta, Department of Civil and Environmental Engineering, 
      Edmonton, AB, Abbreviation.
FAU - Zhou, Chen
AU  - Zhou C
AD  - Biodesign Swette Center for Environmental Biotechnology, Arizona State 
      University, United States.
FAU - Xia, Siqing
AU  - Xia S
AD  - State Key Laboratory of Pollution Control and Resource Reuse, College of 
      Environmental Science and Engineering, Tongji University, Shanghai 200092, China; 
      Shanghai Institute of Pollution Control and Ecological Security, Shanghai 200092, 
      China. Electronic address: siqingxia@gmail.com.
FAU - Rittmann, Bruce E
AU  - Rittmann BE
AD  - Biodesign Swette Center for Environmental Biotechnology, Arizona State 
      University, United States.
LA  - eng
PT  - Journal Article
DEP - 20200928
PL  - England
TA  - Water Res
JT  - Water research
JID - 0105072
RN  - 0 (Chlorophenols)
RN  - 0 (Phenols)
RN  - 0 (Water Pollutants, Chemical)
RN  - 5TWQ1V240M (Palladium)
RN  - 7YNJ3PO35Z (Hydrogen)
RN  - R669TG1950 (2,4-dichlorophenol)
SB  - IM
MH  - *Chlorophenols
MH  - Hydrogen
MH  - Membranes
MH  - *Metal Nanoparticles
MH  - Motion Pictures
MH  - Palladium
MH  - Phenols
MH  - *Water Pollutants, Chemical
OTO - NOTNLM
OT  - 2,4-dichlorophenol
OT  - Hydrodechlorination
OT  - Mathematical model
OT  - Membrane palladium-film reactor
COIS- Declaration of Competing interest The authors declare no competing financial 
      interest.
EDAT- 2020/10/14 06:00
MHDA- 2020/12/15 06:00
CRDT- 2020/10/13 20:14
PHST- 2020/07/28 00:00 [received]
PHST- 2020/09/20 00:00 [revised]
PHST- 2020/09/24 00:00 [accepted]
PHST- 2020/10/14 06:00 [pubmed]
PHST- 2020/12/15 06:00 [medline]
PHST- 2020/10/13 20:14 [entrez]
AID - S0043-1354(20)31000-9 [pii]
AID - 10.1016/j.watres.2020.116465 [doi]
PST - ppublish
SO  - Water Res. 2021 Jan 1;188:116465. doi: 10.1016/j.watres.2020.116465. Epub 2020 
      Sep 28.