ArticleACS ES&T water2025
Multiscale Insights into Structure-Porosity Interplay and Water Adsorption in Granular Activated Carbon for Enhanced Electrochemical Water Treatment.
Article in ACS ES&T water, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Granular activated carbon (GAC) has proven to be a highly effective material for electrochemical water treatment due to its large surface area and porous structure. This study presents a multiscale investigation combining molecular dynamics (MD) simulations, continuum-scale modeling, and experimental validation to understand how the GAC structure influences water adsorption and reactivity. MD simulations show that highly porous GAC (porosity up to 0.55) adsorbs up to 1.2 kg of water per kg of carbon, with an adsorption energy reaching 880 kJ/kg. Continuum modeling using the coupled level-set volume-of-fluid (CLSVOF) method demonstrates that high-porosity GAC reduces surface blockage by promoting bubble mobility. Experimental results confirm these findings: unpressed GAC electrodes (i.e., larger porosity) with a lower density (∼0.1997 g/cm
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