scholarly journals Application of Innovative Analytical Modeling for the Physicochemical Analysis of Adsorption Isotherms of Silver Nitrate on Helicenes: Phenomenological Study of the Complexation Process

2021 ◽  
Vol 2021 ◽  
pp. 1-14
Author(s):  
Hanen Souissi ◽  
Mohamed Ben Yahia
Keyword(s):  
Adsorption Isotherms ◽  
Statistical Physics ◽  
Quartz Crystal ◽  
Phenomenological Study ◽  
Configurational Entropy ◽  
Microscopic Investigation ◽  
Physicochemical Analysis ◽  
Aromatic Molecules ◽  
Adsorbed Quantity ◽  
Complexation Process

The interaction between the silver ion and the cyclic aromatic molecules, namely, the helicenes, is the subject of this paper. In fact, a silver complexation system based on quartz crystal microbalance (QCM) sensor with a functional film of helicenes has been designed and developed at four temperatures. The developed system, in which the sensor response reflects the adsorption of the hexahelicene and the heptahelicene, was able to control the complexed mass of silver for each concentration. Experimental outcomes indicated that the quartz crystal coated with heptahelicene is the adequate material for silver adsorption. Then, a theoretical study has been performed through two statistical physics models (SMPG and SMRG) in order to analyze the experimental adsorption isotherms of the two helicenes at the ionic scale. The SMRG model was developed using the real gas law and was satisfactorily applied for the microscopic investigation of the hexahelicene isotherms indicating that the lateral interactions between the adsorbates are responsible of the decrease of the adsorbed quantity at saturation. The interpretation of the two models’ parameters indicated that the adsorption of the two helicenes is an endothermic phenomenon. Interestingly, the heptahelicene is recommended for silver complexation because it shows the highest adsorption energies involving chemical bonds during the complexation process. The SMPG model and the SMRG model also allow prediction of three thermodynamic functions (configurational entropy, Gibbs free enthalpy, and internal energy) which govern the adsorption mechanism of silver on the two helicenes.

scholarly journals New insights in the physicochemical investigation of the vitamin B12 nucleus using statistical physics treatment: interpretation of experiments and surface properties

RSC Advances ◽  
2020 ◽  
Vol 10 (37) ◽  
pp. 21724-21735
Author(s):  
Manel Ben Yahia ◽  
Mohamed Ben Yahia
Keyword(s):  
Vitamin B12 ◽  
Surface Properties ◽  
Quartz Crystal Microbalance ◽  
Adsorption Isotherms ◽  
Statistical Physics ◽  
Quartz Crystal ◽  
Physicochemical Investigation

Quartz Crystal Microbalance (QCM) setup for the measurement of adsorption isotherms of cobalt(ii)nitrate and cobalt(ii)chloride on tetrakis(4-tolylphenyl)porphyrin (H2TTPP).

scholarly journals Advanced statistical physics modeling of a chiral molecular tweezer of silver ion: Microscopic investigation of adsorption of silver(I) on hexahelicene and heptahelicene

AIP Advances ◽  
2020 ◽  
Vol 10 (10) ◽  
pp. 105229
Author(s):  
Entesar Sulaiman Almogait ◽  
Mohamed Ben Yahia ◽  
Hanan Al-Ghamdi ◽  
Aljawharah Hamad Almuqrin
Keyword(s):  
Statistical Physics ◽  
Microscopic Investigation ◽  
Silver Ion ◽  
Physics Modeling ◽  
Molecular Tweezer

scholarly journals Modeling the removal of Reactive Red 120 dye from aqueous effluents by activated carbon

2020 ◽  
Vol 82 (4) ◽  
pp. 651-662
Author(s):  
Kods Oueslati ◽  
Eder C. Lima ◽  
Fakher Ayachi ◽  
Mariene R. Cunha ◽  
Abdelmottaleb Ben Lamine
Keyword(s):  
Activated Carbon ◽  
Adsorption Isotherms ◽  
Statistical Physics ◽  
Adsorption Process ◽  
Dye Adsorption ◽  
Physical Nature ◽  
Experimental Conditions ◽  
Reactive Red 120 ◽  
Receptor Sites ◽  
Aqueous Effluents

Abstract The adsorption isotherms of Reactive Red 120 (RR-120) on Brazilian pine-fruit shell activated carbon, at six temperatures (298, 303, 308, 313, 318 and 323 K) and pH = 6, were determined and interpreted using a double layer model with one energy. A statistical physics treatment established the formulation of this model. Steric and energetic parameters related to the adsorption process, such as the number of adsorbed molecules per site, the receptor sites density and the concentration at half-saturation, have been considered. Thermodynamic potential functions such as entropy, internal energy and Gibbs free enthalpy are analyzed, and the choice of the models is based on assumptions in correlation with experimental conditions. By numerical fitting, the investigated parameters were deduced. The theoretical expressions provide a good understanding and interpretation of the adsorption isotherms at the microscopic level. We believe that our work contributes to new theoretical insights on the dye adsorption in order to know the physical nature of the adsorption process.

scholarly journals A microscopic and macroscopic investigation of the adsorption of N719 dye on ZnO nanopowders (ZNP) and ZnO nanorods (ZNR) for dye sensitized solar cells using statistical physics treatment and DFT simulation

RSC Advances ◽  
2020 ◽  
Vol 10 (46) ◽  
pp. 27615-27632 ◽  
Author(s):  
Marwa Ben Manaa ◽  
Noureddine Issaoui ◽  
Youssef O. Al-Ghamdi ◽  
Hafedh Belmabrouk ◽  
Abdelmottaleb Ben Lamine
Keyword(s):  
Solar Cells ◽  
Adsorption Isotherms ◽  
Electrostatic Potential ◽  
Statistical Physics ◽  
Molecular Electrostatic Potential ◽  
Zno Nanorods ◽  
Dye Sensitized Solar Cells ◽  
Dft Simulation ◽  
Dye Sensitized ◽  
Sensitized Solar Cells

Adsorption isotherms of N719 dye on (a) ZNP and (b) ZNR and the molecular electrostatic potential (MEP) map of (c) N719 dye and (d) ZnO.

A new statistical physics model to interpret the binary adsorption isotherms of lead and zinc on activated carbon

2016 ◽  
Vol 214 ◽  
pp. 220-230 ◽  
Author(s):  
Lotfi Sellaoui ◽  
Tolga Depci ◽  
Ali Rıza Kul ◽  
Salah Knani ◽  
Abdelmottaleb Ben Lamine
Keyword(s):  
Activated Carbon ◽  
Adsorption Isotherms ◽  
Statistical Physics ◽  
Binary Adsorption ◽  
Lead And Zinc ◽  
Physics Model ◽  
Statistical Physics Model

scholarly journals Interpretation of the adsorption of metals on quartz crystal based-macromolecule via advanced modeling of equilibrium isotherms

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Fatma Aouaini ◽  
Mohamed Ben Yahia ◽  
Haifa I. Alrebdi ◽  
Miysoon A. Alothman
Keyword(s):  
Double Layer ◽  
Quartz Crystal ◽  
Equilibrium Concentration ◽  
Configurational Entropy ◽  
Physical Models ◽  
Lateral Interactions ◽  
Free Enthalpy ◽  
Adsorption Model ◽  
High Concentration ◽  
Chromium Compound

AbstractIn this article, new insights about the metals-porphyrin complexes are proved by analyzing the zinc, nickel and chromium adsorption process over the well-known porphyrin macromolecule. The use of the quartz crystal microbalance (QCM) apparatus allows the control of the complexation systems’ experimental adsorption data operating at four temperatures. The experimental results and the physical models reveal that the zinc and nickel complexation processes are to be examined using the mono layer adsorption model. While, the double layer model describes the interaction between the chromium compound and the porphyrin. Actually, the three metals are shown to be adsorbed by a multi-docking process in the physicochemical description. The endothermic character of the investigated processes is shown through the appropriate data of the principal parameter adsorbent sites’ density. Hence, several porphyrin sites are exclusively stimulated at high temperature. The parameters of van del Waals, depicting the influences of the lateral interactions, explain the nickel isotherms down trend. The chemical bonds are shown to be carried out between the zinc and the porphyrin through the calculated adsorption energies. Considering the thermodynamic study, and referring to the configurational entropy and the free enthalpy, it is to be noted that the disorder peak of the three mechanisms is reached when the equilibrium concentration is equal to the energetic parameters’ values for each system. The nickel enthalpy revealed for high concentration that the adsorbates’ lateral interactions disapproved the nickel chloride adsorption. The free enthalpy trends, that observed two stability states of the chromium compound, confirmed the chromium double layer mechanism.

scholarly journals Exact matrix treatment of the statistical mechanics of adsorption of large aromatic molecules on graphene

2020 ◽  
Vol 22 (21) ◽  
pp. 12113-12119
Author(s):  
Lawrence J. Dunne ◽  
George Manos
Keyword(s):  
Statistical Mechanics ◽  
Adsorption Isotherms ◽  
Graphene Surface ◽  
Aromatic Molecules ◽  
Statistical Mechanical ◽  
Exact Matrix

Theoretical adsorption isotherms show plateaus reflecting the types of conformer on the graphene surface. Both catechol and phenyl hydroquinone adsorption can be described by our interconvertible statistical mechanical monomer–dimer–trimer model.

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