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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Main Authors: Bikash Chandra Maharaj, Maria Rosaria Mattei, Luigi Frunzo, Eric D. van Hullebusch, Giovanni Esposito
Format: Article
Language:English
Published: Nature Publishing Group 2021-04-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-021-85403-2
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spelling 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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