Journal of Supercomputing

Eggshell (ES)‐based photocatalysts have gained attention in recent years. They are less toxic, abundant, affordable, and efficient photocatalysts in treating dye‐polluted water. This work reports the deterioration of Congo red (CR) under visible light region using ES‐integrated graphitic carbon nitride (g‐C3N4). The photocatalyst was prepared by thermal condensation by varying the mass ratios of ES powder. The material structure and the morphological characteristics are confirmed using FTIR, XRD, BET, UV‐DRS, UV‐Vis spectra, SEM, EDAX, and photoluminescence. By optical investigations, the band gap of bare ES was found to have a value of 5.04 eV. It was narrowed down to 2.57 eV at the optimum composition of ES/g‐C3N4. The effects of several reaction parameters, such as the initial concentration of dye, the amount of catalyst, and the pH level of the solution on the photodegradation rate were investigated. The degradation results revealed that the catalyst removed around 90.5% of the CR dye in 90 min at 498 nm when subjected to visible light. A pseudo‐first‐order model was concluded from the kinetic data analysis of the mineralization of CR dye using carbon nitride photocatalysts infused with eggshells. The photodegradation rate of 5% ES g‐C3N4 was three times greater than that of pure g‐C3N4, indicating a decreased recombination rate of the electron‐hole pair.

Mathematical models that represent food processing operations are characterized by the nonlinearity of their dynamic behavior with possible discrete events, the existence of several variables of interest that are usually distributed in space, and the presence of nonlinear constraints. These features require robust optimization methods to resolve these models and to identify the optimum operating conditions of the processes. Stochastic optimization methods, often referred as metaheuristics, are effective and reliable tools to perform the global and multiobjective optimization of process units and operations involved in food engineering. In this way, this paper surveys recent advances and contributions that have applied stochastic methods for solving global and multiobjective optimization problems in food engineering. The description of the most used stochastic algorithms in food engineering is provided including the application of those methods classified as random search techniques, evolutionary methods, and swarm intelligence methods. It was observed that evolutionary methods are the most applied in solving food engineering optimization problems where the genetic algorithm and differential evolution stand out. Finally, remarks on the limitations and current challenges to improving the numerical performance of stochastic optimization methods for food engineering applications are also discussed.

A natural gas (NG) dehydration unit based on glycol absorption is considered one of the most important gas processing units, aiming to decrease water content and consequently adjust its dew point. However, during this process, not only water is absorbed by the glycol solvent, but also some aromatic compounds, including benzene, toluene, ethylbenzene, and xylene (BTEX), in addition to volatile organic compounds (VOC), are absorbed. These compounds are released during glycol regeneration into the atmosphere, resulting in environmental pollution and consequent catastrophic mental and physical health problems. This study aims to minimize BTEX emissions while ensuring efficient dew point control. Various strategies have been adopted to control BTEX emissions, but the present work focuses on optimizing operating conditions and investigating the influence of operational variables on BTEX emissions, as well as NG water content. LINGO optimization software and HYSYS (version 11) are used to find the plant’s optimum conditions for minimizing BTEX emissions and satisfying efficient dew point control. Simulation results show that stripping gas, triethylene glycol (TEG) circulation rate, and inlet feed gas temperature significantly affect BTEX emissions. The proposed optimum operating conditions in this work resulted in a reduction in BTEX emissions by about 81% while satisfying the required NG dew point. Furthermore, two quadratic equations are developed based on regression analysis for efficient calculation of the BTEX emissions and water dew point at any operational variables.

The present study aims to provide a mathematical model of the Williamson fluid flow via a permeable stretching/shrinking sheet in the MHD boundary layer in the presence of a heat source, chemical reaction, and suction. This study is novel because it investigates the physical effects of thermal and solutal stratification on convective heat and mass transport using thermal radiation. The flow’s PDEs are numerically solved using the BVP4c approach and the pertinent similarity variables until a stable solution is found. Through visual analysis, the effects of dimensionless factors on temperature, velocity, and concentration profiles are examined. This encompasses the mass transfer rate, the heat transfer rate, and the coefficient of friction. The results of the present analysis are found to be consistent with those of previously published studies. The findings demonstrate that enhanced temperature and concentration profiles cause the Williamson, magnetic, and permeability parameters to rise in conjunction with a drop in the dimensionless velocity. In relation to temperature, the thermal stratification parameter exhibits the opposite tendency. Regarding the solutal stratification parameter, concentration profiles are seen to show the opposite trend. Lastly, the current work will have important implications for the removal of dust and viruses from viscoelastic fluid in bioengineering, the medical sciences, and medical equipment.

This research explores the adsorption (AD) of diclofenac sodium (DS) onto a Hydrothermally produced activated carbon impregnated with ZnO (HTC-AC/ZnO) surface, considering various factors such as initial concentration (IC), adsorbent dose, contact time, and pH. The characterization of HTC-AC/ZnO was performed using X-ray diffractometer (XRD), scanning electron microscope (SEM), Fourier-transform infrared spectroscopy (FTIR), and nitrogen physisorption spectroscopy (BET). Tests were conducted with different adsorbent doses (0.5–4 g/L) at 303 K and various initial diclofenac concentrations (ranging from 50 mg/L to 250 mg/L) to observe their effects. Additionally, pH values were altered from 2 to 12 to study their influence on AD. Kinetic studies, thermodynamic studies, and AD isotherm models were examined. The Temkin isotherm model (TIM) was found to be the most accurate for DS-AD on HTC-AC/ZnO. For DS-AD on HTC-AC/ZnO, pseudo-first-order models (PFOM), intraparticle diffusion model (IPDM), and pseudo-second-order models (PSOM) were applied, with a correlation coefficient of 0.945, indicating a good fit for PFOM. The kinetics suggested rapid adsorption. Notably, the HTC-AC/ZnO composite exhibited consistent AD characteristics across four consecutive cycles, with a removal efficiency exceeding 99.38%. This suggests that HTC-AC/ZnO is an appropriate and economically viable adsorbent for the elimination of DS from water-based solutions. The investigation provides compelling evidence that HTC-AC/ZnO is a viable adsorbent for the effective elimination of DS from water sources.

This research paper focuses on the removal of the nonsteroidal anti-inflammatory drug, ibuprofen, from an aqueous solution using a dissolved air flotation process. The comparison of different types of cationic surface-active agents such as cetyltrimethyl ammonium bromide (CTAB), tetrabutyl ammonium bromide (TBAB), and octyltrimethyl ammonium bromide (OTAB) have been employed to scrutinize the effective removal of the ecotoxic pharmaceutically active compound. The work included the influencing parameters such as pressure, contact time, surfactant dosage, pH, flow rate, and initial concentration owing to the best-optimized conditions. The maximum removal rate of 96.09% was achieved at 15 min for CTAB, TBAB had 62.36% at 45 min, and 89.6% was obtained for OTAB at 30 min, with 50 mg L−1 as the initial concentration and pH = 4. The removal rate was better with the optimized dosage of CTAB at 0.6 g, TBAB at 1.2 g, and OTAB at 1.0 g. It was observed that the geometric shape of the surface-active agents had greater impacts on the contaminants’ efficiency. CTAB and OTAB were combined to find out the best possible removal rate of contaminants. The synergistic effect augments surfactant-based occurrence to be better in forming a good foaming effect and tends to have a lower critical micelle concentration (CMC). From the evaluation of kinetic models, pseudo-second-order flotation kinetics fitted the experimental data best. Furthermore, the formed metabolites that had been identified using gas chromatography-mass spectrometry were found to be less toxic than the parenting compounds.

In recent decades, reports from around the globe indicate an increase in natural organic matters (NOMs) in surface waters, which has a negative impact on drinking water purification and causes problems such as the taste and color of water, reducing the amount of dissolved oxygen in water, causing membrane fouling in the filtration process, and acting as a precursor for the formation of an antiseptic by-product. This work used the adsorption process to evaluate the elimination of natural organic compounds in aquatic environments. Ethylenediaminetetraacetic acid (EDTA) as a crosslinker for chitosan (CTS) and N, N-methylenebisacrylamide as a crosslinker for polyacrylamide (PAM) were used to prepare humic acid (HA) adsorbents utilizing a two-step procedure. The FTIR spectroscopy proved the EDTA cross-linking agent was effective with the semicrosslinking CTS/PAM hydrogel. CTS/PAM/EDTA double network (DN) hydrogel exhibited a higher HA adsorption capacity (qe = 107.7 mg/g) than CTS/PAM (qe = 59.3 mg/g) at pH = 7 and an initial concentration of 60 mg·L−1 during 60 min. Also, results demonstrate that CTS/PAM/EDTA DN hydrogels showed faster adsorption kinetics than CTS/PAM.

The effect of inside surface baffle installation conditions on the minimum impeller rotational speed for just the drawdown of floating solid NJD was investigated. The inside surface baffle condition is the condition in which a partial baffle is placed with a clearance between the baffle and the vessel wall. In this study, a baffle with an insertion length of 0.2 times the liquid height was used. Moreover, the effect of baffle angle on NJD was investigated. The NJD was measured visually at least three times. The results showed that the effect of the radial installation position of the inside surface baffle on NJD depended on the impeller position. In addition, even baffles placed parallel to the tangential flow were found to decrease NJD.

This work depicts that rice straw (RS), which is one of the major lignocellulosic wastes all over the world and causing many environmental problems, has considerable amounts of protein, ash, macronutrients, and micronutrients of approximately 11.38%, 16.77%, 2.27 mg/kg, and 771.9 mg/kg, respectively; besides, a C/N ratio of 15.18, a total N, P2O5, and K2O content of 1.85%, and a considerably low concentration of undesirable heavy metals and silica of approximately 77.69 mg/kg and 109 mg/kg are also present, which recommends its applicability as a precursor feedstock for the production of organic fertilizer and animal fodder. The batch solid-state fermentation (SSF) of RS by Trichoderma longibrachiatum DSMZ 16517 produced considerable amount of total reducing sugars (TRS) of approximately 339.2 mg TRS/g RS under the optimum operatic conditions of 20% (w:v) substrate concentration, pH 7, 1% inoculum size, a 9-day incubation period, and 30°C incubation temperature. The readily available and cost-effective agroindustrial waste, sugarcane molasses, proved to enhance the fungal biomass growth and (hemi) cellulolytic enzymes activities. The inoculated RS-SSF batch process with T. longibrachiatum precultured on 10% molasses enhanced the (hemi) cellulolytic enzymatic activities and TRS production rate by approximately 5.82 and 3.8 folds, respectively, relative to that inoculated by T. longibrachiatum precultured in the conventional potato dextrose broth medium. The separate hydrolysis and fermentation processes by different yeast strains Candida tropicalis DSM 70156, C. shehatae ATCC 58779, and Saccharomyces cerevisiae ATCC 64712 revealed an efficient bioethanol yield and productivity that ranged between 0.36 and 0.38 g/g sugars and 0.22 and 0.23 g/L/h, respectively, with concomitant competent fermentation efficiencies that ranged between 48.35% and 51.25%. The proximate analysis of rice straw before and after fungal hydrolysis proved calorific values of approximately 15.8 MJ/kg and 16.05 MJ/kg, respectively, recommending their applicability as primary and secondary solid biofuels. Thus, this study proved the waste prosperity of RS for environmental opulence and sustainability.

Electrically heated tobacco products (EHTPs) could release effective aerosol components from tobacco materials at relatively low temperatures without a burning phenomenon. It is essential to grasp the temperature distribution and release mechanism of key components in heated tobacco materials. The existing experimental studies have provided initial insights into the thermodynamic behavior of tobacco materials under various conditions. However, current numerical models are still in their early stages of development, with the majority failing to correlate heat transfer with component release. Based on this, a coupled numerical model of gas flow, heat transfer, and the release of key components in the electrically heated tobacco product is established in this study, which exhibits improvements in revealing the internal heat and mass transfer characteristics in the porous media of tobacco and is capable of evaluating the influence of component contents and product design parameters. The release rates of water, glycerol, and nicotine components are quantitatively described by the first-order Arrhenius formula, and the transport of heat and gas flow is simulated using the Navier-Stokes equation. The accuracy of the model is validated through experiments, including temperature monitoring at multiple measurement points and determination of residual contents in the tobacco substrate after each puff. The simulation results suggest that an appropriate component ratio and tobacco filler mass can enhance both the release amount and release efficiency of key components, and reducing either the diameter or length of the tobacco section can help to improve the heat transfer performance. A slower heating rate matched with longer preheating times enables the complementary release of water and glycerol components, which helps to regulate the uniformity of component content in the aerosol to some extent. This study helps to provide suggestions for the design and optimization of electrically heated tobacco products.

Background. Amoxicillin trihydrate possesses poor solubility, compressibility, and flow behavior. Amorphous solid dispersion prepared by spray drying could solve all three problems at the same time. Objective. To prepare amorphous solid dispersion after screening of polymers by solvent casting method using a spray drying method. Methods. The solvent casting method was used to screen polymers, PVP/VA S-630, PVP K30, Soluplus, PEG 4000, HPMC AS, and HPMC HP55, in 1 : 1 and 2 : 3 ratios and followed by spray drying after polymer selection. Results. The dissolution performance of the formulation improved with time. The optimum feed rate and feed concentration were found to have an impact on the flow properties and particle size of spray-dried formulations, and they were selected as independent variables in a 32 full factorial statistical design. The ANOVA and regression analysis suggest that the developed regression model has a significant overall fit to the data and can explain a substantial proportion of the variability in the dissolution at 10 minutes. The optimized batch was selected based on the decisive factors of minimum and maximum values of response variables. Overall, the optimized batch demonstrated improved characteristics in terms of percentage yield (32.81%), dissolution at 10 min (49.70%), and angle of repose at 31.42°. Conclusion. This study provides valuable insights into optimizing formulation strategies for preserving the amorphous state of drugs and contributes to the development of stable pharmaceutical formulations.

All the inputs and outputs of a technical system can be interpreted from an environmental point of view. Using the life cycle assessment (LCA) approach, some changes that are less harmful to the environment can be included in the system. This research aims to evaluate the environmental effects of the wastewater treatment plant (WWTP) in South Tehran, and the LCA method was used in this study. Based on the data of qualitative parameters obtained from the measurement of Tehran province’s water and sewage company, the environmental emissions were calculated and analyzed using SimaPro software (9.0.0) and the standards defined under the ReCiPe 2016-midpoint method. In the ReCiPe 2016 method, the results were expressed in two intermediate levels (including three classes of influence) and final (including 18). The results showed that the treated wastewater and chlorine factors had the most adverse environmental effects. Among the 18 effect classes, the treated wastewater in the class of marine environmental toxicity with the amount of 101.1531 kg 1,4-DCB had the most environmental impacts among other classes. The power consumed by the biogas-burning combined heat and power (CHP) unit in the wastewater treatment (WWT) process reduced the environmental effects in most impact classes. The most adverse environmental effects of the WWT process are related to damage to human health and the ecosystem. According to the findings, the use of CHP systems is suggested for energy saving and also for reducing harmful effects on the environment.

Cetyl palmitate was produced by the esterification of palmitic acid with cetyl alcohol using n-hexane and ethyl ether as solvents and a commercial lipase as a catalyst. The effect of solvents to reagents mass ratio (0.5 : 1–3 : 1), percentage of n-hexane in the solvent mixture (0–100%), and reaction temperature (25–55°C) on the reaction rate were evaluated for a fixed amount of enzyme (1 wt% related to the total mass of substrates) in an equimolar mixture of palmitic acid and cetyl alcohol. Temperature and n-hexane percentage in the solvent had positive effects on the reaction rate. The total solvent-to-reagent mass ratio showed a negative effect on the reaction rate when a solvent mixture rich in ethyl ether was used. The higher the concentration of n-hexane, the lower the effect of the mass ratio of solvents to reagents on the reaction rate. Although the amount of ethyl ether in the solvent mixture had a negative effect on the reaction rate, it had a positive effect on the solubility of the system, that is, the more ethyl ether in the mixture, the lower the solvent to reagents mass ratio required to ensure a homogeneous mixture. A ping-pong bi-bi mechanism-based model was proposed to represent the system kinetics and was well fitted to the experimental data.

Optically transparent polycarbonates (PCs) and Copoly(Imide-Carbonate)s (Co-PICs) were synthesized by the melt polycondenzation method. Rigid (imide) and flexible (-O- and –C(CH3)2−) moieties were incorporated in the structure of bisimide diol comonomer using 4-aminophenol and 4,4′-(4,4′-isopropylidenediphenoxy) bis(phthalic anhydride). The structural properties of synthesized comonomers and polymers were confirmed by 1H, 13C-NMR and FT-IR spectra. Thermal properties of polycarbonates and copolycarbonates were examined using DSC and TG analysis. Thermal properties (glass transition Tg and thermal decomposition (Td) temperature) of copolymers were enhanced without sacrificing properties of BPA-based PC (high transparency, ductility, and processability) by the incorporation of active functional bisimide diol comonomer (5–10 mole %) in the polycarbonate backbone. Different sets of PCs and Co-PICs thin film substrates were prepared by the solvent casting method and used to design frequency selective surface. The proposed flexible FSS offers shielding of 20 dB at 8.8 GHz. In addition, the FSS offers polarization independent operation with its symmetrical unit cell geometry.

This work is part of the development of new bio-sourced corrosion inhibitors from an abundant resource that can replace conventional synthetic inhibitors that are harmful to both human health and the environment. The corrosion inhibition performance of an aqueous extract of Artemisia herba-alba on the corrosion of 2024 aluminum alloy in a 1 M hydrochloric acid solution is investigated by weight loss method, electrochemical (linear polarization, potentiodynamic polarization, and electrochemical impedance spectroscopy) and SEM techniques. The extract shows excellent corrosion-inhibiting properties on aluminium alloy with a maximum inhibition efficiency of 93% at 0.6 g/L. The adsorption of the natural extract obeys the extended Langmuir isotherm equation adsorption model for multicomponent systems. Temperature studies show that the efficiency of the extract decreases with increasing temperature and that the corrosion activation energies increase in the presence of the extract. Liquid chromatography/high resolution mass spectrometry is used to identify the chemical constituents of the natural extract, and the most abundant phytochemicals for each subclass of metabolite are investigated using density functional theory (DFT) calculations. This study paves the way for further development of a plant that is particularly abundant in the desert regions of North Africa and has until now been used mainly for food for livestock and for pharmaceutical applications.