Theoretical and experimental studies on photocatalytic removal of methylene blue (MetB) from aqueous solution using oyster shell synthesized CaO nanoparticles (CaONP-O)

Eddy, Nnabuk Okon; Ukpe, Richard Alexis; Ameh, Paul Ocheje; Ogbodo, Rapheal; Garg, Rajni; Garg, Rishav

doi:10.1007/s11356-022-22747-w

Cited by 28 publications

(2 citation statements)

References 56 publications

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“…The decay of tocilizumab in the ideal circumstances of the O 3 -HPCP procedure was demonstrated to follow a first-order reaction (Eq. 7 ) 34 . …”

Section: Methodsmentioning

confidence: 99%

Tocilizumab degradation via photo-catalytic ozonation process from aqueous

Mehralipour,

Akbari,

Adibzadeh

et al. 2023

Sci Rep

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Following the advent of the coronavirus pandemic, tocilizumab has emerged as a potentially efficacious therapeutic intervention. The utilization of O3-Heterogeneous photocatalytic process (O3-HPCP) as a hybrid advanced oxidation technique has been employed for the degradation of pollutants. The present study employed a solvothermal technique for the synthesis of the BiOI-MOF composite. The utilization of FTIR, FESEM, EDAX, XRD, UV–vis, BET, TEM, and XPS analysis was employed to confirm the exceptional quality of the catalyst. the study employed an experimental design, subsequently followed by the analysis of collected data in order to forecast the most favorable conditions. The purpose of this study was to investigate the impact of several factors, including reaction time (30–60 min), catalyst dose (0.25–0.5 mg/L), pH levels (4–8), ozone concentration (20–40 mMol/L), and tocilizumab concentration (10–20 mg/L), on the performance of O3-HPCP. The best model was discovered by evaluating the F-value and P-value coefficients, which were found to be 0.0001 and 347.93, respectively. In the given experimental conditions, which include a catalyst dose of 0.46 mg/L, a reaction time of 59 min, a pH of 7.0, and an ozone concentration of 32 mMol/L, the removal efficiencies were found to be 92% for tocilizumab, 79.8% for COD, and 59% for TOC. The obtained R2 value of 0.98 suggests a strong correlation between the observed data and the predicted values, indicating that the reaction rate followed first-order kinetics. The coefficient of synergy for the degradation of tocilizumab was shown to be 1.22. The catalyst exhibited satisfactory outcomes, but with a marginal reduction in efficacy of approximately 3%. The sulfate ion (SO42−) exhibited no influence on process efficiency, whereas the nitrate ion (NO3−) exerted the most significant impact among the anions. The progress of the process was impeded by organic scavengers, with methanol exhibiting the most pronounced influence and sodium azide exerting the least significant impact. The efficacy of pure BiOI and NH2-MIL125 (Ti) was diminished when employed in their pure form state. The energy consumption per unit of degradation, denoted as EEO, was determined to be 161.8 KWh/m3-order.

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“…The decay of tocilizumab in the ideal circumstances of the O 3 -HPCP procedure was demonstrated to follow a first-order reaction (Eq. 7 ) 34 . …”

Section: Methodsmentioning

confidence: 99%

Tocilizumab degradation via photo-catalytic ozonation process from aqueous

Mehralipour,

Akbari,

Adibzadeh

et al. 2023

Sci Rep

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“…Precise information on such interactions is essential for refining processes such as water splitting or carbon dioxide reduction. Analyzing Fukui functions, for instance, can enhance our understanding and control of photocatalytic reactions by substantiating the underlying mechanisms [152]. Even more accurate information could be extracted from the dual descriptor [153]; while the Fukui function can reveal the nucleophilic and electrophilic regions on a molecule, the dual descriptor can unambiguously expose truly nucleophilic and electrophilic regions with greater reliability.…”

mentioning

confidence: 99%

Advances in Computational Methods for Modeling Photocatalytic Reactions: A Review of Recent Developments

Gusarov

2024

Materials

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Photocatalysis is a fascinating process in which a photocatalyst plays a pivotal role in driving a chemical reaction when exposed to light. Its capacity to harness light energy triggers a cascade of reactions that lead to the formation of intermediate compounds, culminating in the desired final product(s). The essence of this process is the interaction between the photocatalyst’s excited state and its specific interactions with reactants, resulting in the creation of intermediates. The process’s appeal is further enhanced by its cyclic nature—the photocatalyst is rejuvenated after each cycle, ensuring ongoing and sustainable catalytic action. Nevertheless, comprehending the photocatalytic process through the modeling of photoactive materials and molecular devices demands advanced computational techniques founded on effective quantum chemistry methods, multiscale modeling, and machine learning. This review analyzes contemporary theoretical methods, spanning a range of lengths and accuracy scales, and assesses the strengths and limitations of these methods. It also explores the future challenges in modeling complex nano-photocatalysts, underscoring the necessity of integrating various methods hierarchically to optimize resource distribution across different scales. Additionally, the discussion includes the role of excited state chemistry, a crucial element in understanding photocatalysis.

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