Adsorption isotherms of N3 dye on TiO2 mesoporous for dye sensitized solar cells: Their realization, their modeling and consequent interpretations using a statistical physics treatment

Adsorption is a major basic and applied phenomenon in many scientific disciplines. In particular, the design of adsorbents to remove pollutants from wastewater requires advanced knowledge of adsorption isotherms, which are useful tools to identify physicochemical factors that control adsorption performance. Recent modeling of adsorption isotherms has focused on the use of statistical physics. Here, we review the major adsorption isotherm models based on statistical physics. We discuss steric, energetic, and thermodynamic parameters.

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“…The adsorbed quantity of adsorbate as a function of concentration is formulated as (Ben Manaa et al 2018):…”

Section: Double-layer Model With One Energymentioning

confidence: 99%

Calculation of adsorption isotherms by statistical physics models: a review

2021

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“…Furthermore, the increase in temperature leads to a shift in radius toward the low values and an increase in the width of these peaks. These two characteristics are specific to a thermal agitation effect [ 15 , 75 ]. This demonstrates that the increase in temperature promotes an increase in the free motion speed of the dye molecules so that the dye molecules can easily reach smaller pores and can be detected at a smaller pore radius.…”

Section: Resultsmentioning

confidence: 99%

“…Further, the increase in temperature also leads to a broadening of these peaks’ widths. This is due to the activation of lower and higher energies by thermal stirring to broaden these peaks’ widths [ 46 , 75 ].…”

Section: Resultsmentioning

confidence: 99%

Adsorption of Congo Red and Methylene Blue onto Nanopore-Structured Ashitaba Waste and Walnut Shell-Based Activated Carbons: Statistical Thermodynamic Investigations, Pore Size and Site Energy Distribution Studies

et al. 2022

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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 (Eint)), 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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“…Therefore, the derivative of the adsorbed amount Q relative to the radius gives the pore size distribution of the adsorbent: 27,28…”

Section: Pore Size Distribution (Psd) Determined By the Adequate Modelmentioning

confidence: 99%

“…22,23 Ben Lamine et al 24 have developed a statistical physics treatment based on quantum physics theory which is useful to interpret various adsorption systems. 25,26 Marwa et al [27][28][29][30][31] have improved this theory and developed new statistical physics models for modeling adsorption isotherms of dyes for DSSCs applications. Recently, to investigate the optical properties of DSSCs, theoretical methods as computational simulations rooted in density functional theory (DFT) and time-dependent DFT (TDDFT) have become a crucial tool to understand the detailed atomistic and the interatomic interactions that are more necessary to the complex dye/semiconductor interaction.…”

Section: Introductionmentioning

confidence: 99%