期刊
NANOMATERIALS
卷 12, 期 21, 页码 -出版社
MDPI
DOI: 10.3390/nano12213831
关键词
adsorption mechanism; statistical physics modeling; dye; activated carbon; simulation
类别
资金
- National Key R&D Program of China [2019YFD1100200]
- National Natural Science Foundation of China [U21A20322, 51878465, 42006139]
In this study, an advanced statistical physics adsorption model was established to investigate the adsorption mechanisms of CR and MB dyes on two types of activated carbons. The results showed that the adsorption reactions were entropy-increasing, endothermic, and spontaneous, indicating that the adsorption processes were endothermic physisorption.
In this paper, an advanced statistical physics adsorption model (double-layer model with two energies) is successfully established. On the basis of this model, statistical thermodynamic functions (e.g., entropy (S), Gibbs free enthalpy (G), and internal energy (E-int)), pore size distribution (PSD), and site energy distribution (SED) functions were successfully developed and applied to investigate the adsorption mechanisms of nanopore-structured ashitaba waste-based activated carbons (AWAC) and walnut shell-based activated carbons (WSAC) on Congo red (CR) and methylene blue (MB) dyes in aqueous solutions. Statistical thermodynamic results indicated that the adsorption reactions involved in this study are entropy-increasing, endothermic, and spontaneous in nature. Furthermore, PSD and SED described the heterogeneity of these adsorbents in terms of geometry or structure and energy and illustrated that the aforementioned adsorption processes are endothermic physisorption. All in all, this study contributed to broadening the understanding of the adsorption mechanisms of dye molecules onto biomass-based activated carbons.
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