Journal of the Taiwan Institute of Chemical Engineers最新文献

{"title":"Surface interaction of expired Brilcure (Ticagrelor) drug on soft-cast steel in 0.5 M H2SO4 medium: Corrosion protection, surface characterizations and computational studies","authors":"Savitri Danappa Kotabagi ,&nbsp;Ragini L. Minagalavar ,&nbsp;S.K. Rajappa ,&nbsp;Manohar R. Rathod ,&nbsp;Ashok M. Sajjan ,&nbsp;J.G. Suma","doi":"10.1016/j.jtice.2024.105791","DOIUrl":"10.1016/j.jtice.2024.105791","url":null,"abstract":"<div><h3>Background</h3><div>Soft-cast steel (SCS) is extensively used in industry but is prone to corrosion in acidic solutions, necessitating effective protection methods. Corrosion inhibitors offer a rapid, easy, and economical solution. However, expired ticagrelor (Brilcure) poses environmental risks when discarded due to its active components. Therefore, this study explores the use of expired ticagrelor (<em>TCGL</em>) to prevent SCS corrosion in sulfuric acid, utilizing its active components, such as N and O atoms and conjugated bonds, as adsorption centers while being environmentally friendly.</div></div><div><h3>Methods</h3><div>The corrosion inhibition and adsorption properties of <em>TCGL</em> on SCS in 0.5 M H₂SO₄ were investigated using weight loss, potentiodynamic polarization (PDP), and electrochemical impedance spectroscopy (EIS) techniques. Surface characterization of SCS was performed using scanning electron microscopy with energy-dispersive X-ray spectroscopy (SEM-EDX), atomic force microscopy (AFM), and water contact angle (WCA) measurements. The adsorption behavior of <em>TCGL</em> followed the Langmuir isotherm model. Additionally, density functional theory (DFT) and molecular dynamics (MD) simulations were employed to elucidate the bonding interactions between <em>TCGL</em> and the metal surface.</div></div><div><h3>Significant findings</h3><div>Ticagrelor achieved 98.99 % inhibition efficiency at 250 ppm by adsorbing on the steel surface, forming a protective film. PDP studies showed decreased corrosion current density and a potential shift from -0.53 V to -0.49 V. SEM and AFM confirmed significant protection. DFT and MD simulations identified active sites and molecular mechanisms, highlighting Ticagrelor's potential as an effective, eco-friendly corrosion inhibitor for SCS.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"165 ","pages":"Article 105791"},"PeriodicalIF":5.5,"publicationDate":"2024-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142418458","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design of type II quaternary double-decker heterostructure Cu-WO3-BiVO4-Bi2S3NiOOH photoanode for stable and efficient photoelectrochemical water splitting","authors":"S Sadhasivam ,&nbsp;T Sadhasivam ,&nbsp;K Selvakumar ,&nbsp;TH Oh ,&nbsp;G Annadurai ,&nbsp;Nagaraj Murugan ,&nbsp;Yoong Ahm Kim","doi":"10.1016/j.jtice.2024.105786","DOIUrl":"10.1016/j.jtice.2024.105786","url":null,"abstract":"<div><h3>Background</h3><div>Bismuth vanadate (BiVO₄) and nickel oxyhydroxide (NiOOH) are the prominent photo(electro)catalysts for water-splitting photoelectrodes. The strong visible light absorbers of the Bi₂S₃ decorated type II photoanode of WO₃/BiVO₄/NiOOH efficiently improve the photo-excitons in the photoanodes.</div></div><div><h3>Methods</h3><div>In this work, type II semiconductors heterostructure photoanodes are fabricated as Cu:WO₃/BiVO₄/Bi₂S₃/NiOOH. The bottom layer of heavily Cu- doped n-type WO₃ nanoplatelets is grown on FTO to make nano-heterostructure Cu:WO₃/BiVO₄ photoanodes. The Bi₂S₃ semiconductor has been grown on the BiVO₄ by chemical bath deposition and NiOOH deposited using the photo-assisted electrodeposition method. The resulting periodically ordered BiVO₄/WO₃ platelets distinctly outperform by the Bi₂S₃ and NiOOH-decorated quaternary photoanodes.</div></div><div><h3>Significant findings</h3><div>As a result, the as-prepared photoanode shows a high photocurrent density of 6.85 mA cm⁻² at 0 V vs. Ag/AgCl under the irradiation of 100 mW/cm² AM 1.5 G simulated sunlight. With the higher photoactivity of Bi₂S₃ and NiOOH cocatalysts, the photoanode substantially gains stability at higher saturation photocurrents. Overall, the photoanode resulted in a low charge transfer resistance (387.4 Ohm.cm²) and a higher built-in potential of 180 mV, with 2.67 % of ABPE and 2.1 % of STH efficiencies at 0.3 V vs. Ag/AgCl.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"165 ","pages":"Article 105786"},"PeriodicalIF":5.5,"publicationDate":"2024-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142418549","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Thermodynamic properties of binary, ternary and quaternary mixtures: N‑butyl acetate- n-hexanol - n,n-dimethylacetamide-water. Modeling using regression algorithms and optimization using socially-inspired evolutionary algorithms","authors":"Iuliana Bîrgăuanu ,&nbsp;Marius Gavrilescu ,&nbsp;Florin Leon ,&nbsp;Silvia Curteanu ,&nbsp;Gabriela Lisa","doi":"10.1016/j.jtice.2024.105796","DOIUrl":"10.1016/j.jtice.2024.105796","url":null,"abstract":"<div><h3>Background</h3><div>The design of chemical plants requires knowledge of the thermodynamic properties of the fluids involved.</div></div><div><h3>Methods</h3><div>In our research, we performed experimental measurements of the refractive index and density of binary, ternary and quaternary systems containing n‑butyl acetate, n-hexanol, n,n-dimethylacetamide and water, at atmospheric pressure and the following temperatures: 293.15 K, 303.15 K, 313.15 K and 323.15 K. They were used to determine the excess molar volume, which was correlated with mole fractions, normalized temperature and refractive index, using artificial neural networks and other models obtained with regression algorithms, optimized with different socially-inspired evolutionary algorithms.</div></div><div><h3>Significant Findings</h3><div>The best results were achieved with decision tree regression and the queuing search optimization algorithm. The present approach is based on the fact that there are few similar studies in the literature; in addition, the models obtained can complement/supplement the experimental data through predictions.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"165 ","pages":"Article 105796"},"PeriodicalIF":5.5,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142418456","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Solar-driven Pt free hydrogen production and successive degradation of sulfasalazine using CuO/ZnO binary nanocomposites: Reaction kinetics and determination of reaction parameters using response surface methodology","authors":"Mahroza Kanwal Khan ,&nbsp;Umar Farooq ,&nbsp;Khalida Naseem ,&nbsp;Muhammad Raheel Khan ,&nbsp;Mohammad Ehtisham Khan ,&nbsp;Wahid Ali ,&nbsp;Syed Kashif Ali ,&nbsp;Mohammad S. Alomar ,&nbsp;Mohammad Arishi ,&nbsp;Abdullateef H. Bashiri ,&nbsp;Muhammad Yasir Khan","doi":"10.1016/j.jtice.2024.105789","DOIUrl":"10.1016/j.jtice.2024.105789","url":null,"abstract":"<div><h3>Background</h3><div>Approaches for sustainable, green, and expensive catalyst-free hydrogen production have not been explored extensively. Moreover, during photocatalysis, a lot of material gets wasted due to a lack of proper optimization of the reaction parameters to remove the toxic industrial effluents.</div></div><div><h3>Methods</h3><div>Here in this study, we present the green synthesis of CuO/ZnO nanocomposites from the ethanolic crude extract of <em>Oxystelma esculentum</em>. The synthesized photocomposites were systematically characterized by Fourier transform infrared spectroscopy, zeta potential, x-ray diffraction, scanning electron microscopy, transmission electron microscopy, atomic force microscopy, and x-ray photoelectron spectroscopy. The performed analyses provided useful insights into identifying important functional groups, size, morphology, elemental composition, crystallinity, and defects in the synthesized photocomposites.</div></div><div><h3>Significant Findings</h3><div>After characterization, the nanocomposites were evaluated for photocatalytic sulfasalazine (SSZ) degradation and hydrogen production. The response surface methodology (RSM) was employed to optimize SSZ's photocatalytic degradation. The optimized values of reaction parameters for the photocatalytic degradation of SSZ comprise pH = 4.06, SSZ dose = 47.75 mg/L, CuO/ZnO dose = 44.42 mg, and temperature = 23.60 °C. The rates observed in the hydrogen production (1136 µmolh^-1g^-1) were obtained without costly co-catalyst. The optimized values for hydrogen production include photocatalyst dosage = 50 mg, pH = 7, and time = 5 hours. These features signify the efficient separation of charge carriers between synthesized nanocomposites, resulting in exquisite activities.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"165 ","pages":"Article 105789"},"PeriodicalIF":5.5,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142418359","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Comparison between endogenous and exogenous nitrogen of nitrogen-doped carbon catalyst in the process of activating PMS","authors":"Shengrong Liu ,&nbsp;Boyang Wang ,&nbsp;Yimeng Huang ,&nbsp;Xing Xu ,&nbsp;Yujiao Kan ,&nbsp;Yanan Shang","doi":"10.1016/j.jtice.2024.105793","DOIUrl":"10.1016/j.jtice.2024.105793","url":null,"abstract":"<div><h3>Background</h3><div>Advanced oxidation processes (AOPs) based on sulfate radicals (SO₄^•–) have proven to be highly effective in degrading organics in wastewater. Carbon-based materials have emerged as promising catalysts for activating persulfate, which generates environmentally friendly sulfate radicals (SO₄^•–), for remediation purposes. The nitrogen doping technique is an effective method for site-specific regulation and can significantly enhance the performance of carbon-based catalysts, which could promote the application of carbon-based catalysts in the future. Endogenous and exogenous nitrogen sources can provide nitrogen sources for N doping. However, there are few reports on the comparison of the structure and catalytic mechanism of these two types of N-doped biochar. It is also of great significance to reveal the mechanisms of constructing catalytic sites using endogenous and exogenous nitrogen.</div></div><div><h3>Methods</h3><div>Herein, the preparation of endogenous nitrogen-doped biochar (BC) was achieved by using soybean as the precursor material, which is rich in natural nitrogen-containing components of proteins. Subsequently, the BC was doped by mixing it with urea and pyrolysis, resulting in the preparation of exogenous nitrogen-doped biochar (NBC).</div></div><div><h3>Significant findings</h3><div>The characterization of XRD and HRTEM showed that g-C₃N₄ formed in NBC. The results of catalytic degradation and quenching experiments demonstrate that the exogenous nitrogen-doped catalysts have a better performance than endogenous nitrogen-doped catalysts. The OFL removal rate in BC/PMS was higher than that in the BC/PMS system (71.68% <em>vs.</em> 61.83 %). The <em>k</em>_obs in NBC/PMS are also higher than that in BC/PMS (0.00943 min⁻¹ <em>vs.</em> 0.01369 min⁻¹). The NBC could be a promising catalyst for PMS activation in practical application. DFT results showed that the g-C₃N₄ generated from exogenous nitrogen can improve PMS activation performance in the g-C₃N₄/graphene bilayer structure. The influence on the charge distribution of surrounding carbon materials makes endogenous nitrogen doping a good choice for optimizing the local performance of the material in the absence of natural nitrogen components.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"165 ","pages":"Article 105793"},"PeriodicalIF":5.5,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142418555","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ultra-sensitive zinc cobaltate assembled on N-rich carbon nitride electrochemical sensor for the detection of paraquat in food samples","authors":"Subburaj Srinithi ,&nbsp;Naveen Karuppusamy ,&nbsp;S.M. Chen ,&nbsp;Sri Balaji Natarajan ,&nbsp;Balakumar Vellaichamy ,&nbsp;Ying Li ,&nbsp;Hsiung-Lin Tu ,&nbsp;Chih-Min Wang ,&nbsp;Yeh-Fang Duann","doi":"10.1016/j.jtice.2024.105779","DOIUrl":"10.1016/j.jtice.2024.105779","url":null,"abstract":"<div><h3>Background</h3><div>Paraquat (PQ) from agricultural waste cause contamination in water bodies, groundwater, soil, and foods has received increasing attention regarding health safety. On-site-based detection is much needed along with rapid results, selectivity and sensitivity, which can be achieved through an electrochemical-based sensor.</div></div><div><h3>Methods</h3><div>This work provides, an electrochemical sensor based on zinc cobaltite (ZnCo₂O₄) nanostructure strongly attracted through electrostatic interaction with the carbon nitride (C₃N₅; CN) nanosheets modified on a glassy carbon electrode (GCE) for the determination of paraquat (PQ). The strong immobilization of ZnCo₂O₄ over CN₂ on GCE synergistically shows excellent sensing of PQ due to high interfacial charge transfer effect.</div></div><div><h3>Significant findings</h3><div>In addition, the electrochemical studies were performed using CV and DPV analysis which exhibits a good limit of detection (7.6 nM) and sensitivity (0.201 µA cm^-2) towards PQ detection. Furthermore, the modified electrode was applied practically in real food samples for PQ detection with excellent recoveries.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"165 ","pages":"Article 105779"},"PeriodicalIF":5.5,"publicationDate":"2024-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142418550","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Thermocapillary stability of a viscoelastic liquid film falling down above or below an inclined thick wall with slip","authors":"L.A. Dávalos-Orozco","doi":"10.1016/j.jtice.2024.105788","DOIUrl":"10.1016/j.jtice.2024.105788","url":null,"abstract":"&lt;div&gt;&lt;h3&gt;Background:&lt;/h3&gt;&lt;div&gt;Thin viscoelastic liquid films falling down walls have been investigated theoretically since many years ago due to their applications in coating and cooling of substrates. They may also be subjected to temperature gradients and have been investigated under a variety of boundary conditions. In particular, the Navier slip boundary condition has been the subject of recent research. This condition is used when at the interface between the liquid and the wall the no-slip boundary condition does not apply due to different reasons like wall small topography, chemical coatings, etc.&lt;/div&gt;&lt;/div&gt;&lt;div&gt;&lt;h3&gt;Methods:&lt;/h3&gt;&lt;div&gt;The small wavenumber approximation is used to derive a nonlinear evolution equation to describe the free surface deformations of the viscoelastic liquid film falling down an inclined wall. This equation is linearized and its linear stability is investigated using normal modes. The nonlinear free surface deformations are calculated numerically by means of a normal modes expansion substituted into the nonlinear evolution equation.&lt;/div&gt;&lt;/div&gt;&lt;div&gt;&lt;h3&gt;Significant Findings:&lt;/h3&gt;&lt;div&gt;The thermocapillary stability of a thin viscoelastic film falling down a thick wall of finite thermal conductivity is investigated. Linear and nonlinear flows are examined when the interface of the liquid and the wall presents slip effects. The stability of the flow above and below (Rayleigh–Taylor) the wall is also explored. The lubrication approximation is used to derive a nonlinear evolution equation for the free surface deformation. The curves of linear growth rate, maximum growth rate and critical Marangoni number are calculated for different viscoelastic Deborah numbers. The film will be subjected to destabilizing and stabilizing Marangoni numbers. It is found that from the point of view of the linear growth rate the flow destabilizes with slip in a wavenumber range &lt;span&gt;&lt;math&gt;&lt;mi&gt;k&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt; &lt;span&gt;&lt;math&gt;&lt;mo&gt;&lt;&lt;/mo&gt;&lt;/math&gt;&lt;/span&gt; &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;k&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mo&gt;+&lt;/mo&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;. However slip stabilizes for larger wavenumbers &lt;span&gt;&lt;math&gt;&lt;mi&gt;k&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt; &lt;span&gt;&lt;math&gt;&lt;mo&gt;&gt;&lt;/mo&gt;&lt;/math&gt;&lt;/span&gt; &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;k&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mo&gt;+&lt;/mo&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; up to the critical (cutoff) wavenumber. The results show that the Deborah number displaces &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;k&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mo&gt;+&lt;/mo&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; to the right. When &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;k&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mo&gt;+&lt;/mo&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; reaches the critical wavenumber by an increase of the Deborah number, slip is unable to stabilize. The corresponding critical Deborah number is derived. On the contrary, when the Deborah number is zero these slip stabilizing regions &lt;span&gt;&lt;math&gt;&lt;mi&gt;k&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt; &lt;span&gt;&lt;math&gt;&lt;mo&gt;&gt;&lt;/mo&gt;&lt;/math&gt;&lt;/span&gt; &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;k&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mo&gt;+&lt;/mo&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; correspond to Newtonian fluids ","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"165 ","pages":"Article 105788"},"PeriodicalIF":5.5,"publicationDate":"2024-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142418554","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The use of molecular dynamics method to evaluate the thermo-physical properties of Cu nanoparticles dispersed in Paraffin wax PCM","authors":"Aliakbar Karimipour ,&nbsp;Saeed A. Asiri ,&nbsp;Khaled M. Alfawaz ,&nbsp;Ageel F. Alogla ,&nbsp;Nidal H. Abu-Hamdeh ,&nbsp;PHH Viet","doi":"10.1016/j.jtice.2024.105785","DOIUrl":"10.1016/j.jtice.2024.105785","url":null,"abstract":"<div><h3>Background</h3><div>One of paraffin wax's most significant practical applications is for thermal energy storage (TES). Phase change materials (PCMs), such as paraffin wax, are being investigated to store thermal energy in various applications, from building heating and cooling systems to solar power plants. Adding copper nanoparticles (NPs) to the paraffin wax can enhance the mixture's performance. Another potential application of the paraffin wax-copper nanofluid model is in the development of advanced cooling systems.</div></div><div><h3>Methods</h3><div>The present research aims to evaluate the effects of different panel temperatures (Temps) on the thermal performance (TP) and electrical efficiency (EE) of paraffin wax-Cu nanofluid (NF) between parallel plates via the Molecular Dynamics (MD) method by using the LAMMPS simulation software.</div></div><div><h3>Significant Findings</h3><div>As the simulation progresses, the atomic structure undergoes significant changes in energy and TP. The potential energy (PE) decreases and stabilizes at -12,444.55 eV after 100,000 time steps, while the kinetic energy (KE) reaches a steady value of 763.51 eV. The nanoparticles (NP) in the middle of the wall exhibit the highest velocity, peaking at 0.002 Å/ps, and the maximum Temp is recorded at 334.08 K in the wall's center. Over time, the structure's TC stabilizes at 0.3199 W/m.K after 2 ns. However, increasing the wall Temp from 300 K to 400 K leads to an increase in nanoparticle velocity, from 0.02 Å/ps to 0.0283 Å/ps, and raises the maximum Temp from 334.08 K to 406.05. This temp rise also slightly improves the TC from 0.319 W/m.K to 0.325 W/m.K, but it causes a significant 84 % decrease in EE, highlighting the critical impact of Temp on the structure's behavior.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"165 ","pages":"Article 105785"},"PeriodicalIF":5.5,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142418552","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Toward combined photo-electrochemical system for degradation of ceftriaxone contaminated water over Ti-based mixed metal oxide photoanodes performance evaluation and mechanism insights","authors":"Mahmoud Zarei ,&nbsp;Ali Ranjbar ,&nbsp;Behnaz Hazrati Dorigh ,&nbsp;Tala Babaei ,&nbsp;Paria Rostamzadeh ,&nbsp;Alireza Gheshlaghi ,&nbsp;Mir Ghasem Hosseini","doi":"10.1016/j.jtice.2024.105787","DOIUrl":"10.1016/j.jtice.2024.105787","url":null,"abstract":"<div><h3>Background</h3><div>As a growing environmental concern over the accumulation of antibiotics in aquatic environmets, the development of an efficient degradation process has been addressed. In this study, the application of the photo-electrochemical oxidation (PEO) process for the degradation of ceftriaxone was evaluated.</div></div><div><h3>Methods</h3><div>Experiments were performed in an undivided cell equipped with Ti/IrO₂ (0.1)-Ta₂O₅ (0.1)-TiO₂ (0.8) and Ti/IrO₂ (0.2)-Ta₂O₅ (0.2)-TiO₂ (0.6) as anodes and Platinum (Pt) sheet as the cathode of the degradation process. Anodes were characterized using scanning electron microscopy (SEM), mapping energy dispersive X-ray (EDS-mapping), ultraviolet–visible diffuse reflectance spectroscopy (DRS), and atomic force microscopy (AFM). Cyclic voltammetry (CV) and photocurrent analysis were performed to consider the photo-electrochemical behavior of anodes. The effect of operational parameters, including initial pH (3–9), ceftriaxone initial concentration (C = 10–50 mg L⁻¹), current density (<em>I</em> = 100–500 mA cm⁻²), and Na₂SO₄ as electrolyte concentration (C_electrolyte = 0.05–0.25 mg L⁻¹) on ceftriaxone removal efficiency were determined.</div></div><div><h3>Significant findings</h3><div>Outcomes of experiments revealed that under optimum conditions (pH = 6, C = 30 mg L⁻¹, C_electrolyte = 0.1 mg L⁻¹, and <em>I</em> = 300 mA cm⁻²), 98.6 % of degradation efficiency was achieved. The combined process resulted in 77.6 and 69.3 % total organic carbon removal of ceftriaxone on Ti/IrO₂ (0.1)-Ta₂O₅ (0.1)-TiO₂ (0.8) and Ti/IrO₂ (0.2)-Ta₂O₅ (0.2)-TiO₂ (0.6) after five hours of PEO process, respectively. Additionally, the feasible intermediates of ceftriaxone degradation were identified using Gas chromatography-mass spectroscopy (GC-MS) analysis.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"165 ","pages":"Article 105787"},"PeriodicalIF":5.5,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142418457","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Preparation and optimization of nanocomposite membranes for ethanol dehydration via pervaporation by using response surface methodology","authors":"Neda Ahadi ,&nbsp;Omid Bakhtiari","doi":"10.1016/j.jtice.2024.105790","DOIUrl":"10.1016/j.jtice.2024.105790","url":null,"abstract":"<div><h3>Background</h3><div>Alcohol dehydration using pervaporation, as a fast-developing process, requires more facilitation by improving their membrane performance.</div></div><div><h3>Methods</h3><div>Graphene oxide nanosheets (GONs) were incorporated into blend matrixes of chitosan (CS) and polyvinyl-alcohol (PVA) to prepare nanocomposite membranes (NCMs) for ethanol dehydration. The membranes' structure was evaluated using SEM and FTIR analysis and their dehydration performance was studied against membrane composition (GONs loading and the CS/PVA blending ratio) and operational variables (feed temperature and ethanol concentration) using response surface methodology.</div></div><div><h3>Significant Findings</h3><div>SEM images revealed GONs uniform dispersion within the membrane matrix and the FTIR results revealed the hydrogen bonds formation and minor changes after GONs incorporation. The optimum NCM was selected as 50 wt. % CS/PVA blended polymer matrix loaded by 4 wt. % GONs with permeation flux (PF) and separation factor (SF) were improved by 50 % and 5-fold, to 299 g/m²h and 1142. Its PF and SF reached 418 g/m²h (45 % increment) and 652 (30 % decrement) as its temperature elevated from 50 to 70 °C. These values were measured as 311 g/m²h (25 % decline) and 1106 (66 % improvement) by increasing the feed's ethanol content from 80 to 90 wt. %.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"165 ","pages":"Article 105790"},"PeriodicalIF":5.5,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142418551","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}