Publication detail

Influence of water molecule bridges on sequestration of phenol in soil organic matter of sapric histosol

Ondruch, P. Kučerík, J. Tunega, D. Silva, N.J. Aquinno, A.J.A. Schaumann, G.E.

Original Title

Influence of water molecule bridges on sequestration of phenol in soil organic matter of sapric histosol

Type

journal article in Web of Science

Language

English

Original Abstract

Water molecule bridges (WaMB) can stabilise the supramolecular structure of soil organic matter (SOM) by connecting individual SOM molecular units. WaMB are hypothesised to act as a desorption barrier and thus to physically immobilise molecules in SOM. To test this hypothesis, we prepared two sets of soil samples - aged samples with WaMB developed, and vacuumed samples, in which WaMB were disrupted. The samples were spiked with phenol and then stored under controlled humidity. The degree of phenol immobilisation in SOM was assessed by desorption kinetics of phenol into a gas phase. This was compared with the thermal stability (T*) of WaMB obtained by modulated differential scanning calorimetry (MDSC) and the results were related to computer modelling, which provided the stability and solvation energies of phenol-WaMB-SOM models. The desorption kinetics of phenol was best described by a first-order model with two time constants ranging between 1 and 10 h. In aged samples, the time constants correlated with T*, which showed that the desorption time increased with increasing WaMB stability. Molecular modelling proposed that phenol molecules are preferentially locked in nanovoids with polar OH groups pointed to WaMB in the most stable configurations. Both findings support the hypothesis that WaMB can act as a desorption barrier for phenol.

Keywords

SLOW DESORPTION; SORPTION; TEMPERATURE; SEDIMENTS; STATE; TRANSITIONS; MECHANISMS; CHEMICALS; DYNAMICS; DOMAINS.

Authors

Ondruch, P.; Kučerík, J.; Tunega, D.; Silva, N.J.; Aquinno, A.J.A.; Schaumann, G.E.

Released

1. 11. 2019

ISBN

1449-8979

Periodical

Environmental Chemistry

Year of study

16

Number

7

State

Australia

Pages from

541

Pages to

552

Pages count

12

URL

https://www.publish.csiro.au/EN/EN18137

BibTex

@article{BUT161067,
  author="Ondruch, P. and Kučerík, J. and Tunega, D. and Silva, N.J. and Aquinno, A.J.A. and Schaumann, G.E.",
  title="Influence of water molecule bridges on sequestration of phenol in soil organic matter of sapric histosol",
  journal="Environmental Chemistry",
  year="2019",
  volume="16",
  number="7",
  pages="541--552",
  doi="10.1071/EN18137",
  issn="1449-8979",
  url="https://www.publish.csiro.au/EN/EN18137"
}