Modelling phosphorus (P), sulfur (S) and iron (Fe) interactions for dynamic simulations of anaerobic digestion processes

Flores-Alsina, Xavier, Solon, Kimberly, Kazadi Mbamba, Christian, Tait, Stephan, Gernaey, Krist V., Jeppsson, Ulf and Batstone, Damien J. (2016) Modelling phosphorus (P), sulfur (S) and iron (Fe) interactions for dynamic simulations of anaerobic digestion processes. Water Research, 95 370-382. doi:10.1016/j.watres.2016.03.012


 
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Author Flores-Alsina, Xavier
Solon, Kimberly
Kazadi Mbamba, Christian
Tait, Stephan
Gernaey, Krist V.
Jeppsson, Ulf
Batstone, Damien J.
Title Modelling phosphorus (P), sulfur (S) and iron (Fe) interactions for dynamic simulations of anaerobic digestion processes
Journal name Water Research   Check publisher's open access policy
ISSN 1879-2448
0043-1354
Publication date 2016-05-15
Year available 2016
Sub-type Article (original research)
DOI 10.1016/j.watres.2016.03.012
Open Access Status Not Open Access
Volume 95
Start page 370
End page 382
Total pages 13
Place of publication London, United Kingdom
Publisher I W A Publishing
Language eng
Formatted abstract
This paper proposes a series of extensions to functionally upgrade the IWA Anaerobic Digestion Model No. 1 (ADM1) to allow for plant-wide phosphorus (P) simulation. The close interplay between the P, sulfur (S) and iron (Fe) cycles requires a substantial (and unavoidable) increase in model complexity due to the involved three-phase physico-chemical and biological transformations. The ADM1 version, implemented in the plant-wide context provided by the Benchmark Simulation Model No. 2 (BSM2), is used as the basic platform (A0). Three different model extensions (A1, A2, A3) are implemented, simulated and evaluated. The first extension (A1) considers P transformations by accounting for the kinetic decay of polyphosphates (XPP) and potential uptake of volatile fatty acids (VFA) to produce polyhydroxyalkanoates (XPHA) by phosphorus accumulating organisms (XPAO). Two variant extensions (A2,1/A2,2) describe biological production of sulfides (SIS) by means of sulfate reducing bacteria (XSRB) utilising hydrogen only (autolithotrophically) or hydrogen plus organic acids (heterorganotrophically) as electron sources, respectively. These two approaches also consider a potential hydrogen sulfide (ZH2S) inhibition effect and stripping to the gas phase (GH2S). The third extension (A3) accounts for chemical iron (III) (SFe3+) reduction to iron (II) (SFe2+) using hydrogen (SH2) and sulfides (SIS) as electron donors. A set of pre/post interfaces between the Activated Sludge Model No. 2d (ASM2d) and ADM1 are furthermore proposed in order to allow for plant-wide (model-based) analysis and study of the interactions between the water and sludge lines. Simulation (A1 – A3) results show that the ratio between soluble/particulate P compounds strongly depends on the pH and cationic load, which determines the capacity to form (or not) precipitation products. Implementations A1 and A2,1/A2,2 lead to a reduction in the predicted methane/biogas production (and potential energy recovery) compared to reference ADM1 predictions (A0). This reduction is attributed to two factors: (1) loss of electron equivalents due to sulfate (SS04) reduction by XSRB and storage of XPHA by XPAO; and, (2) decrease of acetoclastic and hydrogenotrophic methanogenesis due to ZH2S inhibition. Model A3 shows the potential for iron to remove free SIS (and consequently inhibition) and instead promote iron sulfide (XFeS) precipitation. It also reduces the quantities of struvite (XMgNH4PO4) and calcium phosphate (XCa3(PO4)2) that are formed due to its higher affinity for phosphate anions. This study provides a detailed analysis of the different model assumptions, the effect that operational/design conditions have on the model predictions and the practical implications of the proposed model extensions in view of plant-wide modelling/development of resource recovery strategies.
Keyword ADM1 extensions
Aqueous phase chemistry model
Multiple mineral precipitation
Phosphorus recovery
Physico-chemical modelling
Simulation
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: HERDC Pre-Audit
Advanced Water Management Centre Publications
 
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