Physicochemical parameters interpretation for adsorption equilibrium of ethanol on metal organic framework: Application of the multilayer model with saturation

Sellaoui, Lotfi; Saha, Bidyut Baran; Wjihi, Sarra; Lamine, Abdelmottaleb Ben

doi:10.1016/j.molliq.2016.07.017

Cited by 46 publications

(11 citation statements)

References 18 publications

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“…For this reason, we consider that the macroscopic adsorbent system contains N M identical receptor sites and each site accepts n MG molecules. Based on the scientific literature, interesting models containing different parameters were developed by the same statistical physics theory. All these models were applied on simple and complex adsorption isotherm forms.…”

Section: Resultsmentioning

confidence: 99%

“…Three statistical physics models were selected to attribute alternative interpretations about MG adsorption on RCS and MCS. A general model assuming that the adsorption of malachite green occurs by the formation of a certain number of layers, and two other particular cases, the double layer model with two energies and the monolayer model with one energy.…”

Section: Introductionmentioning

confidence: 99%

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Physicochemical and thermodynamic study of malachite green adsorption on raw and modified corn straw

et al. 2017

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Physicochemical and thermodynamic interpretations of malachite green (MG) adsorption on raw (RCS) and modified corn straw (MCS) are detailed in this work. Experimental isotherms were constructed at different temperatures (from 298 to 328 K). To interpret these curves, three models named multilayer model with saturation, double layer model with two energies, and monolayer model with one energy were developed based on the principle of grand canonical ensemble in statistical physics. The double layer model with two energies was the more adequate to represent the adsorption process. Thermodynamic functions such as configurational entropy (Sa), free adsorption enthalpy (G), and internal energy (Eint) were studied. The number of MG molecules per site (n) ranged from 0.33 to 2.33 and the adsorbed quantity at saturation (Qasat) ranged from 164.15 to 528.19 mg g−1 and both increased with the temperature. The density of the receptor sites (NM) ranged from 248.71 to 104.88 and decreased with the temperature. For RCS and MCS, the first and second energies, ϵ1 and ϵ2, increased with the temperature, with ϵ1 being higher than ϵ2. The adsorption energies of MCS (7.77–11.19 kJ mol−1) were higher than the adsorption energies of RCS (6.17–10.88 kJ mol−1). The adsorption process occurred by physisorption and the disorder increased at low equilibrium concentrations, but decreased at high concentrations. The free enthalpy and internal energy described with care the spontaneity of the studied system.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Physicochemical and thermodynamic study of malachite green adsorption on raw and modified corn straw

et al. 2017

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“…The adsorption energy expression was written as given in Eq. ( 2) (Sellaoui et al, 2017;Dhaouadi et al, 2020a;Sellaoui et al, 2020a;Dhaouadi et al, 2020b;Sellaoui et al, 2020b;Seliem et al, 2020;Sellaoui et al, 2021b;Landin-Sandoval et al, 2021).…”

Section: Interpretation Of Adsorption Energy Parameter (δE)mentioning

confidence: 99%

Insights Into the Mn(VII) and Cr(VI) Adsorption Mechanisms on Purified Diatomite/MCM-41 Composite: Experimental Study and Statistical Physics Analysis

et al. 2022

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In this study, a purified diatomite (PD) with a concentration of diatom frustules more than 92% SiO2 was utilized to synthesize a composite of MCM-41 silica under hydrothermal conditions. The as-synthesized PD/MCM-41 composite was characterized and tested as an adsorbent for the removal of Cr(VI) and Mn(VII) ions from aqueous solution. Results of X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and Fourier-transform infrared spectroscopy (FTIR) revealed that the diatom frustules of the PD were coated with MCM-41 mesoporous silica. Experimental isotherms of Cr(VI) and Mn(VII) adsorption were fitted to classical and advanced statistical physics models at 25°C–55°C and pH 3. The Langmuir model estimated monolayer adsorption capacities ranging from 144.1 to 162.2 mg/g for Cr(VI) and 166.2 to 177.0 mg/g for Mn(VII), which improved with increasing the solution temperature. Steric and energetic parameters obtained from a monolayer adsorption model with one adsorption site was utilized to explain the adsorption mechanism at a microscopic level. The number of Cr(VI) and Mn(VII) ions adsorbed on PD/MCM-41 active site (n) were 1.25–1.27 for Cr(VI) and 1.27–1.32 for Mn(VII), thus suggesting multi-interaction mechanisms. The density of PD/MCM-41 active sites (DM) was a key parameter to explain the adsorption of these heavy metals. The adsorbed quantities were maximum at 55°C, thus obtaining 102.8 and 110.7 mg/g for Cr(VI) and Mn(VII), respectively. Cr(VI) and Mn(VII) adsorption energies ranged from 18.48 to 26.70 kJ/mol and corresponded to an endothermic adsorption with physical forces. Entropy, free enthalpy, and internal energy associated to the adsorption of Cr(VI) and Mn(VII) ions were calculated, thus indicating that the removal of these pollutants was spontaneous. Overall, this article offers new interpretations for the Cr(VI) and Mn(VII) adsorption mechanisms on PD/MCM-41 composite, which are relevant to contribute to the development of effective water treatment processes.

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“…This parameter was utilized to recognize MB and MO molecules' geometry (i.e., horizontal or vertical) on the Rt/BC surface and their aggregation in solutions (i.e., before adsorption). Moreover, the dyes removal mechanism can be clearly identified by determining the value of the n parameter [12,30,31,35]. Thus, this steric parameter is employed to correct the assumption of the classical Langmuir equation, wherein n is equal to unity [12,30].…”

Section: Steric Parametersmentioning

confidence: 99%

“…Consequently, the removal efficiency and the adsorption mechanisms associated with dyes-Rt/BC interactions were analyzed by considering the steric and energetic fundamentals of the double layer adsorption model. Furthermore, the MB and MO adsorption mechanisms on Rt/BC could be multimolecular (i.e., one functional group of Rt/BC can remove numerous dye molecules if n > 1) or multi-docking (i.e., several adsorption sites of Rt/BC can capture one dye molecule when n < 1) [12,30,31,35]. Figure 6 shows the values of the n parameter at temperatures of 25, 40, and 50 • C, and the results are listed in Table 1.…”

Section: Mb and Mo Adsorption Modeling And Mechanism Interpretationmentioning

confidence: 99%

Outstanding Performance of a New Exfoliated Clay Impregnated with Rutile TiO2 Nanoparticles Composite for Dyes Adsorption: Experimental and Theoretical Studies

et al. 2021

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Pure rutile TiO2 nanoparticles (Rt) were combined with exfoliated black clay (BC) to prepare a new composite for water decontamination, in particular, for the uptake of methylene blue (MB) and methyl orange (MO) dyes. The as-prepared Rt/BC was characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and Field emission scanning electron microscopy (FESEM) techniques, and the dyes’ adsorption isotherms at three temperatures (i.e., 25, 40, and 50 °C) were studied. The results indicated that Rt/BC displayed a high removal performance for MO (96.7%) and MB (91.4%) at pH 3.0 and 8.0, respectively. Adsorption data of MB and MO were adjusted by a double layer model at all temperatures. The theoretical parameters of this statistical physics model were interpreted to understand the MO and MB adsorption mechanisms at the molecular level. The removed molecules per active site (n) of Rt/BC ranged from 1.12 to 1.29 for MB and 1.47 to 1.85 for MO, thus representing parallel orientation and multi-interactions mechanisms (i.e., van der Waals forces, hydrogen bonding, and electrostatic interactions were involved). The Rt/BC composite had a density of surface adsorption sites of 100 mg/g. The aggregation of MO molecules was high and increased their adsorption capacities (Qsat = 294–370 mg/g) compared to that of MB (Qsat = 214–249 mg/g). Adsorption energies were 9.70–20.15 kJ/mol, and these values indicated that MO and MB adsorption processes were endothermic and occurred via physical interactions. Overall, the low cost, high regeneration performance, and stability of Rt/BC support its application as a promising adsorbent for organic pollutants from wastewaters.

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Physicochemical parameters interpretation for adsorption equilibrium of ethanol on metal organic framework: Application of the multilayer model with saturation

Cited by 46 publications

References 18 publications

Physicochemical and thermodynamic study of malachite green adsorption on raw and modified corn straw

Physicochemical and thermodynamic study of malachite green adsorption on raw and modified corn straw

Insights Into the Mn(VII) and Cr(VI) Adsorption Mechanisms on Purified Diatomite/MCM-41 Composite: Experimental Study and Statistical Physics Analysis

Outstanding Performance of a New Exfoliated Clay Impregnated with Rutile TiO2 Nanoparticles Composite for Dyes Adsorption: Experimental and Theoretical Studies

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