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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Autores principales:	Bikash Chandra Maharaj, Maria Rosaria Mattei, Luigi Frunzo, Eric D. van Hullebusch, Giovanni Esposito
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/e4ee1540cd4b40dca54a1a90fa6d418c
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spelling	oai:doaj.org-article:e4ee1540cd4b40dca54a1a90fa6d418c2021-12-02T14:21:11ZA general framework to model the fate of trace elements in anaerobic digestion environments10.1038/s41598-021-85403-22045-2322https://doaj.org/article/e4ee1540cd4b40dca54a1a90fa6d418c2021-04-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-85403-2https://doaj.org/toc/2045-2322Abstract 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.Bikash Chandra MaharajMaria Rosaria MatteiLuigi FrunzoEric D. van HullebuschGiovanni EspositoNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-19 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q 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
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.
format	article
author	Bikash Chandra Maharaj Maria Rosaria Mattei Luigi Frunzo Eric D. van Hullebusch Giovanni Esposito
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 Portfolio
publishDate	2021
url	https://doaj.org/article/e4ee1540cd4b40dca54a1a90fa6d418c
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A general framework to model the fate of trace elements in anaerobic digestion environments

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