Next Article in Journal
Evaluation of a Smectite Adsorption-Based Electrostatic System to Decontaminate F Rich Thermal Waters
Next Article in Special Issue
Identification of Key Factors for Urban—Industrial Water Reuse: A Multi-Criteria Analysis Case Study
Previous Article in Journal
Modeling Changes in the Composition of River Water with Discharged Wastewater: A Case Study in NW Russia
Previous Article in Special Issue
Influence of Carbon Agglomerate Formation on Micropollutants Removal in Combined PAC-Membrane Filtration Processes for Advanced Wastewater Treatment
Article

Key Factors for Activated Carbon Adsorption of Pharmaceutical Compounds from Wastewaters: A Multivariate Modelling Approach

1
Water Quality and Treatment Laboratory, Urban Water Unit, Hydraulics and Environment Department, LNEC—National Laboratory for Civil Engineering, Av. Brasil 101, 1700-066 Lisboa, Portugal
2
Centro de Química Estrutural, Institute of Molecular Sciences, Faculdade de Ciências, Universidade de Lisboa, 1749-016 Lisboa, Portugal
3
BioISI—Biosystems & Integrative Sciences Institute, Faculdade de Ciências, Universidade de Lisboa, 1749-016 Lisboa, Portugal
*
Authors to whom correspondence should be addressed.
Academic Editor: Laura Bulgariu
Water 2022, 14(2), 166; https://doi.org/10.3390/w14020166
Received: 8 November 2021 / Revised: 21 December 2021 / Accepted: 3 January 2022 / Published: 8 January 2022
(This article belongs to the Special Issue Advanced Technologies for Water Reclamation and Reuse)
Projection to Latent Structures (PLS) regression, a generalization of multiple linear regression, is used to model two datasets (40 observed data points each) of adsorption removal of three pharmaceutical compounds (PhCs), of different therapeutic classes and physical–chemical properties (carbamazepine, diclofenac, and sulfamethoxazole), from six real secondary effluents collected from wastewater treatment plants onto different powdered activated carbons (PACs). For the PLS regression, 25 descriptors were considered: 7 descriptors related to the PhCs properties, 10 descriptors related to the wastewaters properties (8 related to the organic matrix and 2 to the inorganic matrix), and 8 descriptors related to the PACs properties. This modelling approach showed good descriptive capability, showing that hydrophobic PhC-PAC interactions play the major role in the adsorption process, with the solvation energy and log Kow being the most suitable descriptors. The results also stress the importance of the competition effects of water dissolved organic matter (DOM), namely of its slightly hydrophobic compounds impacting the adsorption capacity or its charged hydrophilic compounds impacting the short-term adsorption, while the water inorganic matrix only appears to impact PAC adsorption capacity and not the short-term adsorption. For the pool of PACs tested, the results point to the BET area as a good descriptor of the PAC capacity, while the short-term adsorption kinetics appears to be better related to its supermicropore volume and density. The improvement in these PAC properties should be regarded as a way of refining their performance. The correlations obtained, involving the impact of water, PhC and PAC-related descriptors, show the existence of complex interactions that a univariate analysis is not sufficient to describe. View Full-Text
Keywords: adsorption; powdered activated carbons; pharmaceutical compounds; wastewater; multivariate modelling; PLS regression adsorption; powdered activated carbons; pharmaceutical compounds; wastewater; multivariate modelling; PLS regression
Show Figures

Graphical abstract

MDPI and ACS Style

Viegas, R.M.C.; Mestre, A.S.; Mesquita, E.; Machuqueiro, M.; Andrade, M.A.; Carvalho, A.P.; Rosa, M.J. Key Factors for Activated Carbon Adsorption of Pharmaceutical Compounds from Wastewaters: A Multivariate Modelling Approach. Water 2022, 14, 166. https://doi.org/10.3390/w14020166

AMA Style

Viegas RMC, Mestre AS, Mesquita E, Machuqueiro M, Andrade MA, Carvalho AP, Rosa MJ. Key Factors for Activated Carbon Adsorption of Pharmaceutical Compounds from Wastewaters: A Multivariate Modelling Approach. Water. 2022; 14(2):166. https://doi.org/10.3390/w14020166

Chicago/Turabian Style

Viegas, Rui M.C., Ana S. Mestre, Elsa Mesquita, Miguel Machuqueiro, Marta A. Andrade, Ana P. Carvalho, and Maria J. Rosa. 2022. "Key Factors for Activated Carbon Adsorption of Pharmaceutical Compounds from Wastewaters: A Multivariate Modelling Approach" Water 14, no. 2: 166. https://doi.org/10.3390/w14020166

Find Other Styles
Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Article Access Map by Country/Region

1
Back to TopTop