Article
Chemistry, Physical
Amel Nakbi, Mohamed Bouzid, Ismahen Ben Khemis, Fatma Aouaini, Afef Ben Hassen, Yosra Ben Torkia, Abdelmottaleb Ben Lamine
Summary: This study contributes to the understanding of the racemic mixture of caffeine-sucrose molecules and their taste-taste interaction. It utilizes a binary model expression of a non-exclusive competitive extended Hill model, deduced through statistical physics treatment. The findings suggest that sucrose molecules form aggregates and bind to human neuroreceptor taste sites in a non-parallel position, while caffeine molecules bind in a parallel position. The study also derives pore size distribution and adsorption energy distribution of neuroreceptor sites, providing insights into the porosity and energetical homogeneity of taste adsorbent surface.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Environmental Sciences
Lotfi Sellaoui, Fatma Dhaouadi, Sonia Taamalli, Florent Louis, Abderrahman El Bakali, Michael Badawi, Adrian Bonilla-Petriciolet, Luis Silva, Katia da Boit Martinello, Guilherme Luiz Dotto, Abdemottaleb Ben Lamine
Summary: Adsorption modeling using statistical physics theory provides insights into the adsorption mechanism of heavy metal ions. This paper analyzes the mechanism of copper ion adsorption on four activated carbons using statistical physics models, and reveals new insights into the molecular-scale adsorption mechanism.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2022)
Article
Biochemistry & Molecular Biology
Nadia Bouaziz, Oumayma Kouira, Fatma Aouaini, Lamies Bukhari, Salah Knani, Sami Znaidia, Abdelmottaleb Ben Lamine
Summary: The widespread use of antibiotics globally has resulted in serious concerns about their environmental and health impacts. Traditional methods of wastewater treatment have been ineffective in completely removing antibiotic residuals. Therefore, this study investigated the adsorption of doripenem, ampicillin, and amoxicillin on a bentonite-chitosan composite. The results showed that all three antibiotics adsorbed onto the composite material in a monolayer formation, and the adsorption capacity increased with temperature. The composite material was found to be a promising adsorbent for removing antibiotics from water and could be used in industrial wastewater treatment.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Article
Chemistry, Physical
Nadia Bouaziz, Fatma Aouaini, Yosra Ben Torkia, Abeer S. Altowyan, Abdelmottaleb Ben Lamine
Summary: The study investigates the hydrogen absorption properties of LaMgNi3.6M0.4 (M = Al, Mn, Ni, Co, Cu) alloys for hydrogen storage, providing insights into the absorption mechanism and potential for increasing hydrogen absorption capacity. The analysis of absorption energies reveals the significance of the chemical interaction between hydrogen and metals in the hydrogen absorption process.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Chemistry, Physical
Kods Oueslati, Abdellatif Sakly, Eder C. Lima, Fakher Ayachi, Abdelmottaleb Ben Lamine
Summary: The adsorption isotherms of Resorcinol on activated carbon from avocado seeds at different temperatures were interpreted using a double layer model with two energies. Working at high temperature represents the best efficiency of wastewater depollution.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Engineering, Environmental
Sarra Wjihi, Fatma Aouaini, Alessandro Erto, Marco Balsamo, Abdelmottaleb Ben Lamine
Summary: The study investigates the CO2 adsorption from simulated flue-gas using three different activated carbons. It shows that micropore volume affects the adsorption capacity, while chemical properties play a secondary role. Advanced models derived from statistical physics are used to interpret the adsorption isotherms and provide insights into the adsorption mechanisms.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Engineering, Chemical
Sonia Jemli, Sabrina Frantz Lutke, Farah Chamtouri, Fakhreddine Ben Amara, Samir Bejar, Marcos Leandro Silva Oliveira, Salah Knani, Luis Felipe Oliveira Silva, Guilherme Luiz Dotto
Summary: A novel crosslinked 8-cyclodextrin polymer was successfully synthesized and proved to be a promising adsorbent for removing Hg from aqueous solution. Thermodynamic and statistical physics studies showed that the adsorption process was spontaneous and endothermic, and the electrostatic interaction played a key role in the adsorption performance. The adsorbent also demonstrated good stability and could be used for multiple adsorption cycles.
SEPARATION AND PURIFICATION TECHNOLOGY
(2024)
Article
Multidisciplinary Sciences
Haifa Alyousef, Badriah M. Alotaibi, Mohamed Ben Yahia, Meznah M. Alanazi, Norah A. Alsaif
Summary: The study examined the complexation phenomenon of three metallic ions with a specific porphyrin adsorbent using a quartz crystal. Experimental results indicated that aluminum(III) chloride is suitable for metalloporphyrin application due to its high adsorption energy. Theoretical analysis of the experimental data revealed that aluminum(III) chloride showed the highest stability in forming chemical bonds with porphyrins.
SCIENTIFIC REPORTS
(2021)
Article
Engineering, Environmental
Julia C. Diel, Katia da Boit Martinello, Christian L. da Silveira, Hercules A. Pereira, Dison S. P. Franco, Luis F. O. Silva, Guilherme L. Dotto
Summary: This study used a statistical physics approach to investigate the adsorption of pesticide glyphosate on modified carbon nanotubes via green synthesis. The results showed that the adsorption of glyphosate occurs through the formation of a monolayer and is characterized by only one energy when interacting with MWCNT/MPNs-Fe. The study also evaluated the geometric and energetic aspects of the system and found that the adsorption is an exothermic process involving a physical interaction mechanism. Additionally, the results indicated that the MWCNT/MPNs-Fe adsorbent promotes pesticide adsorption by interacting with metallic iron nanoparticles present on the adsorbent surface.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Biochemistry & Molecular Biology
Ismahene Ben Khemis, Abir Sagaama, Noureddine Issaoui, Abdelmottaleb Ben Lamine
Summary: This study investigates the activation of mouse and human olfactory receptors in response to two nitro musk stimuli, musk xylol and musk ketone, shedding light on specific aspects of the olfaction process. By using statistical physics modeling and docking computations, the interaction between the nitro musk molecules and olfactory receptors is characterized, providing insights into the olfactory mechanism. The results demonstrate similarities in receptor-ligand detection processes and confirm the calculated binding affinities in terms of adsorption energies.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2021)
Article
Engineering, Chemical
Nadia Bouaziz, Chaker Briki, Essebti Dhahri, Abdelmajid Jemni, Abdelmottalen Ben Lamine
Summary: The microstructure and hydrogen storage properties of LaNi4Co0.5Mn0.5 alloy were investigated. It was found that partial substitution of Ni by Mn and Co affected the long-term hydrogen absorption and desorption properties. The alloy showed a single LaNi5 phase structure. The study provided important insights into the absorption mechanism and revealed that the absorption of H-gas in the alloy was characterized by chemical interactions.
CHEMICAL ENGINEERING SCIENCE
(2022)
Article
Chemistry, Physical
Ismahene Ben Khemis, Abdelmottaleb Ben Lamine
Summary: The presence of copper ions was found to have a negative allosteric effect on the activation of OR1A1 by 2-phenylethanethiol, while it showed an orthosteric competitive effect on the activation of OR2W1. The study revealed that the adsorption process is based on physical adsorption, with varying adsorption energies in different systems. The experimental results provided insight into the distribution of olfactory receptor site sizes and adsorption energy.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Materials Science, Multidisciplinary
Marwa Ben Manaa, Nuha Wazzan, Abdelmottaleb Ben Lamine
Summary: This paper utilizes a statistical physics theory to analyze the adsorption isotherms of three D-A dyes bearing pyridyl group on TiO2 for dye sensitized solar cells. The results indicate a chemisorption process occurred, and DFT was used to determine the adsorbed modes and electronic structures of the dyes, revealing the system with the highest dye regeneration efficiency.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2021)
Article
Biochemistry & Molecular Biology
Ismahene Ben Khemis, Olfa Noureddine, Fatma Aouaini, Amjad Salamah M. Aljaloud, Samia Nasr, Abdelmottaleb Ben Lamine
Summary: This study investigated the adsorption process and mechanism of apocynin, guaia-cylacetone, homovanillyl alcohol, 4-ethylguaiacol, and homoguaiacol molecules on the mouse eugenol olfactory receptor mOR-EG. The results showed that these odorants were adsorbed through a multi-molecular mechanism, forming weak bonds with the amino acid residues of mOR-EG binding pockets. The study also characterized mOR-EG through analyzing the size distributions of binding cavities and adsorption energy distributions.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2022)
Review
Chemistry, Physical
J. Brahmi, S. Nasri, C. Briki, M. Guergueb, S. Najmudin, K. Aouadi, M. R. Sanderson, M. Winter, D. Cruickshank, H. Nasri
Summary: This study presents the molecular structure of a pentacoordinate zinc(II) porphyrin coordination compound and investigates the intermolecular interactions in its crystal lattice. The study also explores the adsorption performance of the compound towards toluidine blue dye, as well as its potential as a catalyst for dye removal.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Biochemistry & Molecular Biology
Ismahene Ben Khemis, Mohamed Bouzid, Nesrine Mechi, Abdelmottaleb Ben Lamine
Summary: The research team has extensively studied liquid and gaseous adsorption systems using the statistical physics approach, providing new insights into the adsorption processes related to olfaction and taste. By applying statistical physics treatment to four enantiomeric terpenes, they determined that adsorption is a monolayer monosite process and characterized the energetic interactions involved in olfactory perception. The negative values of Gibbs free enthalpy indicate that the adsorption onto the human olfactory receptor was spontaneous, and the exothermic adsorption mechanism was explained through negative internal energy values.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2021)
Article
Engineering, Environmental
Fatma Dhaouadi, Lotfi Sellaoui, Luis Enrique Hernandez-Hernandez, Adrian Bonilla-Petriciolet, Didilia Ileana Mendoza-Castillo, Hilda Elizabeth Reynel-Avila, Herson Antonio Gonzalez-Ponce, Sonia Taamalli, Florent Louis, Abdelmottaleb Ben Lamine
Summary: This study reports the adsorption properties and mechanisms of heavy metals Ni2+, Pb2+, and Cu2+ on avocado seed hydrochar. Statistical physics calculations revealed the key roles of phenolic and carboxylic functional groups on the surface of hydrochar in the adsorption process. The multi-ionic adsorption of heavy metals on hydrochar surface showed an endothermic adsorption behavior, where carboxylic functional groups outperformed phenolic groups in terms of adsorption capacities.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Chemistry, Physical
Ismahene Ben Khemis, Abdelmottaleb Ben Lamine
Summary: The presence of copper ions was found to have a negative allosteric effect on the activation of OR1A1 by 2-phenylethanethiol, while it showed an orthosteric competitive effect on the activation of OR2W1. The study revealed that the adsorption process is based on physical adsorption, with varying adsorption energies in different systems. The experimental results provided insight into the distribution of olfactory receptor site sizes and adsorption energy.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Fatma Dhaouadi, Lotfi Sellaoui, Sonia Taamalli, Florent Louis, Abderrahman El Bakali, Tito Roberto Sant'anna Cadaval Junior, Adrian Bonilla-Petriciolet, Jorge Luiz Marques Junior, Andrei ValleraoIgansi, Tuanny Santos Frantz, Sabrina Frantz Lutke, Guilherme Luiz Dotto, Luiz Antonio De Almeida Pinto, Abdelmottaleb Ben Lamine
Summary: The adsorption mechanism of Fe3+, Al3+, and Cu2+ ions on chitosan films was studied using a heterogeneous monolayer model with two types of binding site at varying temperatures and pH levels. The theoretical results suggested a multi-ionic adsorption process with different contributions from amino and hydroxyl groups, resulting in a wide range of adsorption capacities at saturation. The removal mechanism for Al3+ and Cu2+ ions was found to be exothermic, while the adsorption of Fe3+ ions was endothermic.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Engineering, Environmental
Hanjing Xue, Xuemei Wang, Qi Xu, Fatma Dhaouadi, Lotfi Sellaoui, Moaaz K. Seliem, Abdelmottaleb Ben Lamine, Hafedh Belmabrouk, Abdullah Bajahzar, Adrian Bonilla-Petriciolet, Zichao Li, Qun Li
Summary: Activated carbons and MOF-based composites were prepared from ashitaba biomass for the adsorption of methylene blue, and results showed that the surfactant-functionalized activated carbon outperformed other adsorbents with an adsorption capacity exceeding 400 mg/g. This adsorbent shows promising application potential for treating wastewater polluted by dye molecules.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Environmental Sciences
Lotfi Sellaoui, Fatma Dhaouadi, Sonia Taamalli, Hanan Yahya Saeed AlZahrani, Florent Louis, Abderrahman El Bakali, Alessandro Erto, Abdelmottaleb Ben Lamine, Diana Ramos Lima, Eder Claudio Lima, Zhuqi Chen
Summary: The study investigates the adsorption of nicotinamide and propranolol on magnetic-activated carbon, finding that adsorption capacity increases with temperature and propranolol has a higher tendency to form multiple layers. The modeling results suggest that both pharmaceutical compounds adsorb onto the MAC adsorbent via the formation of one or two layers, with propranolol showing a higher tendency for multiple layers. Adsorption energy is estimated to be endothermic, with physical interactions responsible for the adsorption process.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2022)
Article
Chemistry, Multidisciplinary
Fatma Aouaini, Nadia Bouaziz, Wafa Alfwzan, Noura Khemiri, Zainab Elqahtani, Abdelmottaleb Ben Lamine
Summary: In this paper, the adsorption phenomenon of carbon dioxide on a synthesized zeolite (ZSM-5) is analyzed using statistical physics treatment and a multilayer model. The results show that CO2 adsorption occurs via a non-parallel orientation on the ZSM-5 surface, and the highest adsorption amount is observed for Zn-ZSM-5. The analysis of the adsorption energies confirms that CO2 adsorption on ZSM-5 zeolite is a physical adsorption phenomenon.
APPLIED SCIENCES-BASEL
(2022)
Article
Engineering, Environmental
Lotfi Sellaoui, Samia Yahyaoui, Sonia Taamalli, Zainab Srour, Dison Franco, Matias Schadeck Netto, Jordana Georgin, Adrian Bonilla-Petriciolet, Florent Louis, Abderrahman El Bakali, Valerie Fevre-Nollet, Guilherme Luiz Dotto, Alessandro Erto, Abdemottaleb Ben Lamine, Zhuqi Chen
Summary: This study investigates the quaternary adsorption of Cu2+, Co2+, Ni2+, and Ag+ ions on an adsorbent derived from alkaline fusion of wastewater treatment sludge. The study reveals that the adsorption of Cu2+, Co2+, and Ni2+ ions is endothermic, while the adsorption of Ag+ ions is exothermic. In the quaternary system, the adsorption of Ag+ ions is significantly reduced due to the competitive effect of other divalent ions, whereas the adsorption capacities of Cu2+, Co2+, and Ni2+ ions are not significantly affected. There is a notable competitive effect of Cu2+, Co2+, and Ni2+ ions on the adsorption of Ag+ ions. Modelling analysis demonstrates that the adsorption of Cu2+, Co2+, and Ni2+ ions is a multi-ionic process at all tested temperatures, while the adsorption of Ag+ ions is a multi-ionic process only at low temperatures. The statistical physics model confirms that the adsorption energies correspond to physical interactions forces and water molecule adsorption plays a crucial role in removing these trace metals.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Thermodynamics
Wouroud Sghaier, Yosra Ben Torkia, Mohamed Bouzid, Abdelmottaleb Ben Lamine
Summary: This study provides a thermodynamic analysis of two different adsorption cooling cycles, using the statistical physics formalism. The results show that ethanol molecules are mainly adsorbed through a multimolecular process, and the adsorption process is exothermic and spontaneous. The calculated coefficient of performance (COP) falls within a certain range for both cycles.
INTERNATIONAL JOURNAL OF REFRIGERATION
(2022)
Article
Chemistry, Multidisciplinary
M. Atrous, Y. Ben Torkia, T. Selmi, M. Bouzid, M. Seffen, A. Ben Lamine
Summary: The adsorption of tetracycline molecules on activated carbon from Agave Americana fibers is a multimolecular process, with a higher filling rate in the first type sites with lower adsorption energy. Tetracycline molecules are mainly adsorbed in the micropores and mesopores of activated carbon with a pore size lower than 2 nm.
THEORETICAL AND EXPERIMENTAL CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Fatma Aouaini, Nadia Bouazizi, Maha M. Almoneef, Hanan Al-Ghamdi, Abdelmottaleb Ben Lamine
Summary: By conducting experiments on Ti1.02Cr1.1Mn0.3Fe0.6RE0.03 metals, the study investigated the influence of rare earth elements on hydrogen storage performance, identifying physico-chemical parameters related to the absorption and desorption processes and using a model to explain the complexation mechanism.
Article
Engineering, Environmental
Wouroud Sghaier, Yosra Ben Torkia, Mohamed Bouzid, Abdelmottaleb Ben Lamine
Summary: This paper fits the adsorption isotherms of carbon dioxide on highly porous activated carbon using advanced statistical physics models to interpret the process. Physicochemical parameters were deduced through the best fitting model, showing CO2 molecules forming a single layer on modified activated carbon and mainly binding in a parallel position with adsorption energies reflecting physisorption. The use of the enthalpy function for thermodynamic evaluation in a CO2 adsorption cooling system revealed a coefficient of performance ranging from 0.09 to 0.19 at regeneration temperatures between 303 K and 343 K.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2021)
Article
Engineering, Environmental
Yosra Ben Torkia, Wouroud Sghaier, Nadia Bouaziz, Abdelmottaleb Ben Lamine
Summary: In this study, the toxic Xenon removal by an adsorption process on chabazite was investigated using the grand canonical formalism of statistical physics. The interactions between Xenon atoms and chabazite surface were studied through determined physicochemical parameters. The Ca-CHA sample showed the highest adsorption capacity, and the adsorption energy distributions and pore size distributions provided insights into the physisorbed character and microporous character of the samples, respectively.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2021)
Article
Chemistry, Multidisciplinary
Yosra Ben Torkia, Wouroud Sghaier, Mohamed Bouzid, Mohsen Trabelsi, Abdelmottaleb Ben Lamine
Summary: The thermodynamic, energetic, and stereographic parameters controlling acetylene adsorption on exfoliated graphite were determined, with the statistical physics model 2 showing the best correlation. The adsorption of acetylene molecules on the graphite surface was found to be multimolecular. The adsorption energy distributions showed a consistent maximum value while the stereographic parameters evolution with temperature suggested the formation of polyacetylene.
SEPARATION SCIENCE AND TECHNOLOGY
(2021)