A general framework to model the fate of trace elements in anaerobic digestion environments
Abstract Due to the multiplicity of biogeochemical processes taking place in anaerobic digestion (AD) systems and limitations of the available analytical techniques, assessing the bioavailability of trace elements (TEs) is challenging. Determination of TE speciation can be facilitated by developing...
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doaj-e4ee1540cd4b40dca54a1a90fa6d418c2021-04-11T11:31:06ZengNature Publishing GroupScientific Reports2045-23222021-04-0111111910.1038/s41598-021-85403-2A general framework to model the fate of trace elements in anaerobic digestion environmentsBikash Chandra Maharaj0Maria Rosaria Mattei1Luigi Frunzo2Eric D. van Hullebusch3Giovanni Esposito4Department of Civil and Mechanical Engineering, University of Cassino and the Southern LazioDepartment of Mathematics and Applications “Renato Caccioppoli”, University of Naples Federico IIDepartment of Mathematics and Applications “Renato Caccioppoli”, University of Naples Federico IIInstitut de Physique du Globe de Paris, Université de Paris, CNRSDepartment of Civil, Architectural and Environmental Engineering, University of Naples Federico IIAbstract Due to the multiplicity of biogeochemical processes taking place in anaerobic digestion (AD) systems and limitations of the available analytical techniques, assessing the bioavailability of trace elements (TEs) is challenging. Determination of TE speciation can be facilitated by developing a mathematical model able to consider the physicochemical processes affecting TEs dynamics. A modeling framework based on anaerobic digestion model no 1 (ADM1) has been proposed to predict the biogeochemical fate TEs in AD environments. In particular, the model considers the TE adsorption–desorption reactions with biomass, inerts and mineral precipitates, as well as TE precipitation/dissolution, complexation reactions and biodegradation processes. The developed model was integrated numerically, and numerical simulations have been run to investigate the model behavior. The simulation scenarios predicted the effect of (i) organic matter concentration, (ii) initial TEs concentrations, (iii) initial Ca–Mg concentrations, (iv) initial EDTA concentration, and (v) change in TE binding site density, on cumulative methane production and TE speciation. Finally, experimental data from a real case continuous AD system have been compared to the model predictions. The results prove that this modelling framework can be applied to various AD operations and may also serve as a basis to develop a model-predictive TE dosing strategy.https://doi.org/10.1038/s41598-021-85403-2 |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Bikash Chandra Maharaj Maria Rosaria Mattei Luigi Frunzo Eric D. van Hullebusch Giovanni Esposito |
spellingShingle |
Bikash Chandra Maharaj Maria Rosaria Mattei Luigi Frunzo Eric D. van Hullebusch Giovanni Esposito A general framework to model the fate of trace elements in anaerobic digestion environments Scientific Reports |
author_facet |
Bikash Chandra Maharaj Maria Rosaria Mattei Luigi Frunzo Eric D. van Hullebusch Giovanni Esposito |
author_sort |
Bikash Chandra Maharaj |
title |
A general framework to model the fate of trace elements in anaerobic digestion environments |
title_short |
A general framework to model the fate of trace elements in anaerobic digestion environments |
title_full |
A general framework to model the fate of trace elements in anaerobic digestion environments |
title_fullStr |
A general framework to model the fate of trace elements in anaerobic digestion environments |
title_full_unstemmed |
A general framework to model the fate of trace elements in anaerobic digestion environments |
title_sort |
general framework to model the fate of trace elements in anaerobic digestion environments |
publisher |
Nature Publishing Group |
series |
Scientific Reports |
issn |
2045-2322 |
publishDate |
2021-04-01 |
description |
Abstract Due to the multiplicity of biogeochemical processes taking place in anaerobic digestion (AD) systems and limitations of the available analytical techniques, assessing the bioavailability of trace elements (TEs) is challenging. Determination of TE speciation can be facilitated by developing a mathematical model able to consider the physicochemical processes affecting TEs dynamics. A modeling framework based on anaerobic digestion model no 1 (ADM1) has been proposed to predict the biogeochemical fate TEs in AD environments. In particular, the model considers the TE adsorption–desorption reactions with biomass, inerts and mineral precipitates, as well as TE precipitation/dissolution, complexation reactions and biodegradation processes. The developed model was integrated numerically, and numerical simulations have been run to investigate the model behavior. The simulation scenarios predicted the effect of (i) organic matter concentration, (ii) initial TEs concentrations, (iii) initial Ca–Mg concentrations, (iv) initial EDTA concentration, and (v) change in TE binding site density, on cumulative methane production and TE speciation. Finally, experimental data from a real case continuous AD system have been compared to the model predictions. The results prove that this modelling framework can be applied to various AD operations and may also serve as a basis to develop a model-predictive TE dosing strategy. |
url |
https://doi.org/10.1038/s41598-021-85403-2 |
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