Journal of the Taiwan Institute of Chemical Engineers最新文献

{"title":"Combining PC-SAFT equation of state with COSMO-SAC for vapor-liquid equilibrium prediction","authors":"Chen-Hsing Tseng ,&nbsp;Yi-Ru Chen ,&nbsp;Shiang-Tai Lin ,&nbsp;Chieh-Ming Hsieh","doi":"10.1016/j.jtice.2025.106550","DOIUrl":"10.1016/j.jtice.2025.106550","url":null,"abstract":"<div><h3>Background</h3><div>The PC-SAFT equation of state (EOS) has been widely applied for estimating thermodynamic properties, drug solubility, and phase equilibria in mixed systems. Accurate application of PC-SAFT to mixtures requires binary interaction parameters <em>k</em>_<em>ij</em>, which are traditionally fitted to experimental phase equilibrium data.</div></div><div><h3>Methods</h3><div>This study proposes a novel method to estimate the <em>k</em>_<em>ij</em> parameters by matching the excess Gibbs free energy predicted by PC-SAFT to that calculated from COSMO-SAC under defined conditions. Thus, the required <em>k</em>_<em>ij</em> values can be obtained without relying on experimental data. The approach was validated against vapor–liquid equilibrium data for 275 binary systems involving 93 compounds, including both non-associating and associating molecules.</div></div><div><h3>Significant Findings</h3><div>The average absolute relative deviation in pressure (AARD-<em>P</em>) and the average absolute deviation in vapor-phase mole fraction (AAD-<em>y</em>) were 4.20%, and 1.48% for non-associating systems, and 7.49% and 3.12% for associating systems, respectively. This level of accuracy is significantly better than that achieved by PC-SAFT without <em>k</em>_<em>ij</em> parameters and is comparable to the performance of COSMO-SAC. Moreover, the proposed method offers distinct advantages over COSMO-SAC alone, particularly under conditions exceeding the critical point of one component. It represents a promising predictive tool for systems lacking experimental phase equilibrium data.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"181 ","pages":"Article 106550"},"PeriodicalIF":6.3,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145681063","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":"Corrigendum to “Effective retention of inorganic Selenium ions (Se (VI) and Se (IV)) using novel sodalite structures from muscovite; characterization and mechanism” [Journal of the Taiwan Institute of Chemical Engineers 120 (2021)]","authors":"Soha M. Albukhari ,&nbsp;Mohamed Abdel Salam ,&nbsp;Mostafa R. Abukhadra","doi":"10.1016/j.jtice.2025.106530","DOIUrl":"10.1016/j.jtice.2025.106530","url":null,"abstract":"","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"181 ","pages":"Article 106530"},"PeriodicalIF":6.3,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145614202","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":"Corrosion inhibition effect of coffee skin carbon dots synthesized by hydrothermal method on cold-rolled steel in hydrochloric acid medium: Experimental and theoretical calculation study","authors":"Yuting Liu ,&nbsp;Xianghong Li ,&nbsp;Yujie Qiang ,&nbsp;Guanben Du ,&nbsp;Shuduan Deng","doi":"10.1016/j.jtice.2025.106547","DOIUrl":"10.1016/j.jtice.2025.106547","url":null,"abstract":"<div><h3>Background</h3><div>In order to solve the problem of steel corrosion and seek a green corrosion inhibitor, the coffee skin carbon dots (CS-CDs) were prepared from agricultural waste coffee skin. The research investigated their corrosion inhibition effect on cold-rolled steel (CRS) immersed in 1.0 M HCl.</div></div><div><h3>Methods</h3><div>CS-CDs was synthesized by hydrothermal method, and its microstructure and chemical composition were characterized by transmission electron microscope (TEM), Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS). The corrosion inhibition performance of CS-CDs was investigated by weight loss method, electrochemistry, surface characterization and theoretical calculation.</div></div><div><h3>Significant findings</h3><div>Through weight loss testing at four temperatures ranging from 20 to 50 °C, it was found that at 40 °C, the corrosion inhibition rate of 100 mg L⁻¹ CS-CDs reached a maximum of 93 %. This behaviour conforms to the Langmuir adsorption isotherm. Electrochemical impedance spectroscopy (EIS) revealed that the charge transfer resistance increased from 46.01 Ω·cm² to 375.9 Ω·cm² with rising CS-CDs concentrations. Polarisation curves (PDP) indicated a decrease in current density from 540.63 μA cm^-2 to 77.55 μA cm^-2, confirming CS-CDs as a mixed-type inhibitor with predominant cathodic suppression. Surface characterisation revealed that after CS-CDs addition, the steel plate surface roughness decreased from 178 nm to 31.5 nm, while hydrophobicity increased from 35.05 ^o to 85.16 ^o, indicating strong adsorption of CS-CDs onto CRS. Theoretical calculations demonstrated that CS-CDs adsorb onto the Fe (110) surface via parallel physical and chemical mechanisms. This work demonstrates a promising strategy for developing plant-derived CDs as efficient and eco-friendly corrosion inhibitors.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"181 ","pages":"Article 106547"},"PeriodicalIF":6.3,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145681064","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":"Synthesis of the new spirocompounds by Tannic acid as a green catalyst and investigation of their antibacterial properties","authors":"Samira Javadi,&nbsp;Davood Habibi","doi":"10.1016/j.jtice.2025.106538","DOIUrl":"10.1016/j.jtice.2025.106538","url":null,"abstract":"<div><h3>Background</h3><div>The use of tannic acid as a green catalyst has a long history and dates back many years.</div></div><div><h3>Methods</h3><div>The synthesis of various spirocompounds was carried out, following the Grobeck-Blackburn-Benheim and Pictet-Spengler reaction methods, through the four-component condensation reaction of sodium cyanide, isatin, 5-aminothiazolium/2-aminobenzothiazole, and aldehydes under solvent-free conditions and in the presence of tannic acid (TA) as a green and strong catalyst, and they were characterized by different methods.</div></div><div><h3>Significant findings</h3><div>The desired spirocompounds were prepared in a more environmentally friendly manner with higher yields and shorter reaction times compared to traditional methods, and the antibacterial properties of the two spirocompounds were also evaluated using the Chinese Standard Oscillation Antibacterial Test, which showed significant inhibition against Staphylococcus aureus, <em>Escherichia coli</em>, and Staphylococcus aureus.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"181 ","pages":"Article 106538"},"PeriodicalIF":6.3,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145836359","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":"Experimental evidence and performance analysis of carbon cloth composite inserted lead-acid batteries under high-rate cycling","authors":"S.H. Hsieh,&nbsp;T.P. Wu","doi":"10.1016/j.jtice.2025.106517","DOIUrl":"10.1016/j.jtice.2025.106517","url":null,"abstract":"<div><h3>Background</h3><div>To enhance the service life of lead-acid batteries (LABs), a lead-carbon cloth composite material (LCF) was developed by combining the advantages of Pb and C to replace Pb plates. This approach was first introduced in the earlier study, <em>Application of Carbon Fibers in Thin-Plate Pure Lead Batteries</em>. This study provides concrete evidence of the Pb-C bond formation process, as documented in <em>JTICE 152 (2023), P105175</em>, using Field Emission Transmission Electron Microscopy (FE-TEM) morphology and highlighting new applications in lead-acid batteries.</div></div><div><h3>Methods</h3><div>The cross-sections of LCF plates made from activated carbon cloth and chemically oxidized activated carbon cloth were observed at the Pb-carbon fiber interface using FE-TEM. Homemade LABs, both with and without LCF plates, were compared in high-rate cycling tests with commercial batteries.</div></div><div><h3>Significant Findings</h3><div>The insertion of LCF plates into LABs enhances the charging reaction and supports the electrodes, acting like a capacitor during high-rate operation. In the 12 V 6 Ah LAB with LCF plates, the 550 W discharge time remained consistent over 150 cycles — more than twice as many as that of the battery without LCF — while the battery remained available.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"181 ","pages":"Article 106517"},"PeriodicalIF":6.3,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145518317","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 and computational fluid dynamic analysis of a microchannel heat sink device: Use of nanofluids, effect of pin shape and inclusion vortex generators","authors":"A. Santos ,&nbsp;L. Silva-Llanca ,&nbsp;E. Castillo ,&nbsp;A. Gonzalez","doi":"10.1016/j.jtice.2025.106529","DOIUrl":"10.1016/j.jtice.2025.106529","url":null,"abstract":"<div><h3>Background:</h3><div>Microchannel designs may enhance the cooling of electronic devices by increasing heat flux, reducing thermal resistance, and promoting uniform temperature distribution. This study analyzes entropy generation and exergy destruction in microchannel heat sinks using computational fluid dynamics, comparing various working fluids and geometries.</div></div><div><h3>Methods:</h3><div>The working fluids considered include pure water, a water–ethylene glycol mixture (80:20), and a Newtonian nanofluid (<span><math><mrow><msub><mrow><mi>Al</mi></mrow><mrow><mn>2</mn></mrow></msub><msub><mrow><mi>O</mi></mrow><mrow><mn>3</mn></mrow></msub></mrow></math></span>/water) with 0.0075 volume fraction. Three geometries, including cylindrical and square pins with and without vortex generators, are analyzed in a Reynolds number range of 200 to 800. The steady-state laminar numerical simulations were performed using ANSYS Fluent.</div></div><div><h3>Significant findings</h3><div>: The inclusion of vortex generators reduces total entropy generation across all cases. The water–ethylene glycol mixture leads to a reduction of up to 9.52% compared to pure water, making it the most efficient working fluid tested. In contrast, the nanofluid increases entropy generation by up to 3.44%. Higher Reynolds numbers consistently lead to lower entropy generation and exergy destruction. The study also identifies consistent relationships between the entropy generation number and key dimensionless groups such as Reynolds, Nusselt, and Stanton numbers, supporting the development of simplified engineering correlations. These findings provide clear guidance on the trade-offs between fluid selection and geometric design for thermally efficient microchannel cooling systems.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"181 ","pages":"Article 106529"},"PeriodicalIF":6.3,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145569464","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":"Robust Probabilistic Sparse Identification of nonlinear dynamics for industrial anomaly detection","authors":"Zixuan Lin ,&nbsp;Jiao Wang ,&nbsp;Siyue Zhang ,&nbsp;Biwen Zhu ,&nbsp;Haiquan Yu ,&nbsp;Cong Yu ,&nbsp;Wei Fan","doi":"10.1016/j.jtice.2025.106542","DOIUrl":"10.1016/j.jtice.2025.106542","url":null,"abstract":"<div><h3>Background:</h3><div>Industrial processes often exhibit nonlinear and time-varying behaviors, which makes reliable monitoring essential for safety and efficiency. Traditional statistical methods rely on Gaussian noise and stationary assumptions, leading to poor robustness under disturbances and outliers.</div></div><div><h3>Methods:</h3><div>To address this issue, a Robust Probabilistic Sparse Identification of Nonlinear Dynamics (RPSINDy) is proposed in this work. It combines sparse regression with probabilistic state-space modeling, introduces a Gaussian–Student’s t mixture distribution to capture heavy-tailed noise, and employs EM with particle filtering for parameter estimation and inference. Three monitoring indices are designed to evaluate abnormal operating conditions and dynamic deviations.</div></div><div><h3>Significant Findings:</h3><div>Case studies on a three-phase flow facility and a marine diesel engine show that RPSINDy achieves earlier and more accurate fault detection than traditional methods. The results highlight its practicality as a robust and interpretable tool for monitoring complex industrial systems.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"181 ","pages":"Article 106542"},"PeriodicalIF":6.3,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145615097","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":"Biochar as a guard catalyst for diminishing coking via enhancing gasification of reaction intermediates in steam reforming of biomass derivatives","authors":"Yunyu Guo ,&nbsp;Lihua Wang ,&nbsp;Xun Hu ,&nbsp;Chao Li ,&nbsp;Yueyue Song ,&nbsp;Wenjian Liu ,&nbsp;Yangfan Zhang ,&nbsp;Shu Zhang ,&nbsp;Lijun Zhang","doi":"10.1016/j.jtice.2025.106513","DOIUrl":"10.1016/j.jtice.2025.106513","url":null,"abstract":"<div><h3>Background</h3><div>Volatiles-char interaction is a well-known phenomenon in biomass pyrolysis/gasification, and hence biochar might also facilitate gasification of reaction intermediates in steam reforming of organics.</div></div><div><h3>Methods</h3><div>Herein, steam reforming of acetic acid, ethanol, or acetone was performed over Ni/Mg-Al with biochar as a top-layer catalyst, aiming to probe influence of biochar on evolution of intermediate products and coking on lower-layer Ni/Mg-Al. The results showed that, regardless of reactants, presence of biochar did promote catalytic activity for steam reforming.</div></div><div><h3>Significant findings</h3><div>Measurement of intermediates in reforming with <em>in-situ</em> IR exhibited that gasification of intermediates with functionalities like <em>C</em> = <em>C</em> or C-O-C with biochar was enhanced. This diminished formation of precursors of coke on lower-layer Ni/Mg-Al, decreasing coke formation by 22.9 % with acetic acid as a reactant, 11.6 % with ethanol, or 7.0 % with acetone. The coke formed from the dual catalyst system also had higher aromatic degree and higher resistivity towards oxidation. Additionally, deoxygenation and dehydrogenation of reaction intermediates also formed coke of highly aromatic nature on surface of biochar, which changed propensity of intermediate organics towards coking over lower-layer Ni/Mg-Al.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"181 ","pages":"Article 106513"},"PeriodicalIF":6.3,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145518315","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":"Molecular engineering of Co ion–imprinted sites on metal–organic frameworks and facile photodeposition for the selective recovery and upcycling of Co(II)","authors":"Xin Liu ,&nbsp;Ruixue Hu ,&nbsp;Shiran Zhu ,&nbsp;Xiangyu Liu ,&nbsp;Yu Fang ,&nbsp;Yihang Li ,&nbsp;Wei Wei","doi":"10.1016/j.jtice.2025.106527","DOIUrl":"10.1016/j.jtice.2025.106527","url":null,"abstract":"<div><h3>Background</h3><div>The demand for adsorption technologies that facilitate the recovery and upcycling of the valuable metallic element, Co, has been increasing. The recovery of Co from wastewater using metal–organic frameworks (MOFs), which are promising adsorbents, is considerably limited because of the lack of selective adsorption sites. Furthermore, research on the upcycling of Co remains inadequate.</div></div><div><h3>Methods</h3><div>Herein, we develop an integrated strategy combining ion imprinting modification and photodeposition for the selective recovery and upcycling of divalent Co ions (Co(II)) using MOF adsorbents.</div></div><div><h3>Significant findings</h3><div>First, Co ion–imprinted sites are constructed on a typical MOF adsorbent, MIL-125 (labeled CoIP-ML), via molecular engineering using glycylglycine. Compared with the original aminated MIL-125, CoIP-ML exhibits a superior performance, achieving the maximum adsorption capacity (<em>q_m</em> = 218.6 mg/g) and selectivity (selective coefficient <em>k</em>_{Co(II)/Ni(II)} = 3.61) for Co(II) via the chelation of Schiff base groups and adsorption at terminal carboxyl groups. The Co(II) adsorbed on CoIP-ML is upcycled through a facile photodeposition process into Co oxides, which function as a Fenton-like catalyst. The optimal catalyst effectively activates peroxymonosulfate for the removal of chloroquine diphosphate and chlortetracycline hydrochloride, achieving the upcycling of Co(II). This study presents a unique MOF-functionalization paradigm.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"181 ","pages":"Article 106527"},"PeriodicalIF":6.3,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145569459","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":"A spindle-shaped phosphotungstic acid loaded amidoximated natural bamboo strip for extracting uranium","authors":"Yan Feng,&nbsp;Yuxi Li,&nbsp;Shengxuan Gao,&nbsp;Yue Tao,&nbsp;Ying Zhang","doi":"10.1016/j.jtice.2025.106520","DOIUrl":"10.1016/j.jtice.2025.106520","url":null,"abstract":"<div><h3>Background</h3><div>Inorganic materials with high O/N content for Uranium Extraction from Seawater (UES) show fast-adsorption rate, but practical applications are limited by their easy dispersion, difficult recovery, and poor selectivity. Therefore, inspired by the macroscopic large-area molding, antibacterial properties, and hierarchical porous microstructure of bamboo strips (BS), a nanoscale spindle-shaped phosphotungstic acid (PTA) loaded amidoximated BS (AOBS) as the inorganic/organic composite material with high O/N content is designed and applied to extracting uranium.</div></div><div><h3>Methods</h3><div>Under the effects of the hydrogen bonding crosslinking, the protonation process of -NH₂, the physical limitations of PEG molecular chains, and others, a nanoscale spindle-shaped PTA loaded fibrous AOBS (PW₁₂AOBS) is successfully synthesized by chemical cross-linking and hydrothermal methods.</div></div><div><h3>Significant Findings</h3><div>PW₁₂AOBS has the super-hydrophilic surface and ultra-fast infiltration rate, so that it exhibits an excellent antibacterial performance and a super-fast adsorption rate. When the contact time is 5 mins, the adsorption capacity is 195.6 mg·g⁻¹, and a removal rate of uranium is 78.2 %. The highest removal rate of uranium is 82.6 %, and the adsorption capacity reaches 343.6 μg·g⁻¹ in simulated seawater. The terminal OH/-COOH and bridging <em>W</em>=<em>O</em> from PW₁₂AOBS synchronously act as the active sites for extracting uranium.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"181 ","pages":"Article 106520"},"PeriodicalIF":6.3,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145569458","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}