PMID- 30802745
OWN - NLM
STAT- MEDLINE
DCOM- 20190712
LR  - 20190712
IS  - 1873-6424 (Electronic)
IS  - 0269-7491 (Linking)
VI  - 248
DP  - 2019 May
TI  - Characterization of sorption properties of high-density polyethylene using the 
      poly-parameter linearfree-energy relationships.
PG  - 312-319
LID - S0269-7491(18)33340-2 [pii]
LID - 10.1016/j.envpol.2019.02.024 [doi]
AB  - High-density polyethylene (HDPE) is a known sorbent for non-ionic organic 
      compounds in technical applications. Nevertheless, there is little information 
      available describing sorption to industrial HDPE for a broad range of compounds. 
      With a better understanding of the sorption properties of synthetic polymers, 
      environmental risk assessment would achieve a higher degree of accuracy, 
      especially for microplastic interactions with organic substances. Therefore, a 
      robust methodology for the determination of sorbent properties for non-ionic 
      organic compounds by HDPE is relevant for the understanding of molecular 
      interactions for both technical use and environmental risk assessment. In this 
      work, sorption properties of HDPE material used for water pipes were 
      characterized using a poly-parameter linear free-energy relationship (ppLFER) 
      approach. Sorption batch experiments with selected probe sorbates were carried 
      out in a three-phase system (air/HDPE/water) covering an aqueous concentration 
      range of at least three orders of magnitude. Sorption in the concentration range 
      below 10(-2) of the aqueous solubility was found to be non-linear and the 
      Freundlich model was used to account for this non-linearity. Multiple regression 
      analysis (MRA) using the determined distribution coefficients and 
      literature-tabulated sorbate descriptors was performed to obtain the ppLFER phase 
      descriptors for HDPE. Sorption properties of HDPE were then derived from the 
      ppLFER model and statistical analysis of its robustness was conducted. The 
      derived ppLFER model described sorption more accurately than commonly used 
      single-parameter predictions, based i.e., on log K(o/w). The ppLFER predicted 
      distribution data with an error 0.5 log units smaller than the spLFERs. The 
      ppLFER was used for a priori prediction of sorption by the characterized sorbent 
      material. The prediction was then compared to experimental data from literature 
      and this work and demonstrated the strength of the ppLFER, based on the training 
      set over several orders of magnitude.
CI  - Copyright (c) 2019 Elsevier Ltd. All rights reserved.
FAU - Uber, Tobias H
AU  - Uber TH
AD  - Instrumental Analytical Chemistry, University of Duisburg-Essen, 
      Universitatsstrasse 5, 45141, Essen, Germany; Westphalian University of Applied 
      Sciences, August-Schmidt-Ring 10, 45657, Recklinghausen, Germany.
FAU - Huffer, Thorsten
AU  - Huffer T
AD  - University of Vienna, Department of Environmental Geosciences, Environmental 
      Science Research Network, and Research Platform "Plastics in the Environment and 
      Society" (PLENTY), Althanstrasse 14, 1090, Vienna, Austria; Centre for Water and 
      Environmental Research (ZWU), University of Duisburg-Essen, Universitatsstrasse 
      2, 45141, Essen, Germany.
FAU - Planitz, Sibylle
AU  - Planitz S
AD  - Westphalian University of Applied Sciences, August-Schmidt-Ring 10, 45657, 
      Recklinghausen, Germany.
FAU - Schmidt, Torsten C
AU  - Schmidt TC
AD  - Instrumental Analytical Chemistry, University of Duisburg-Essen, 
      Universitatsstrasse 5, 45141, Essen, Germany; Centre for Water and Environmental 
      Research (ZWU), University of Duisburg-Essen, Universitatsstrasse 2, 45141, 
      Essen, Germany. Electronic address: torsten.schmidt@uni-due.de.
LA  - eng
PT  - Journal Article
DEP - 20190213
PL  - England
TA  - Environ Pollut
JT  - Environmental pollution (Barking, Essex : 1987)
JID - 8804476
RN  - 0 (Organic Chemicals)
RN  - 0 (Plastics)
RN  - 059QF0KO0R (Water)
RN  - 9002-88-4 (Polyethylene)
SB  - IM
MH  - Absorption, Physicochemical
MH  - Adsorption
MH  - *Models, Chemical
MH  - Organic Chemicals
MH  - Physical Phenomena
MH  - Plastics
MH  - Polyethylene/*chemistry
MH  - Solubility
MH  - Thermodynamics
MH  - Water
OTO - NOTNLM
OT  - High-density polyethylene
OT  - Micro plastic
OT  - Sorption
OT  - Water
OT  - ppLFER
EDAT- 2019/02/26 06:00
MHDA- 2019/07/13 06:00
CRDT- 2019/02/26 06:00
PHST- 2018/08/04 00:00 [received]
PHST- 2018/12/14 00:00 [revised]
PHST- 2019/02/08 00:00 [accepted]
PHST- 2019/02/26 06:00 [pubmed]
PHST- 2019/07/13 06:00 [medline]
PHST- 2019/02/26 06:00 [entrez]
AID - S0269-7491(18)33340-2 [pii]
AID - 10.1016/j.envpol.2019.02.024 [doi]
PST - ppublish
SO  - Environ Pollut. 2019 May;248:312-319. doi: 10.1016/j.envpol.2019.02.024. Epub 
      2019 Feb 13.