Pub Date : 2025-12-05DOI: 10.1016/j.jtice.2025.106570
Prabir Singha , Dipjyoti Das , Sudipta Chakraborty
Background:
Delay-dominant processes are characterized by significant time lags between input actions and output responses. Accounting for these delays is crucial in control design to avoid oscillations and achieve accurate set-point tracking. This study proposes a novel target-loop-based Smith Predictor PID (Proportional-Integral-Derivative) tuning methodology tailored for various delay-dominant systems, including stable, unstable, integrating, double integrating, and inverse response processes.
Methods:
A Stabilizing/ disturbance rejection controller is first designed based on the Maximum Sensitivity () criterion. Using both stability margin and , a set-point tracking controller is then developed. To further improve performance under plant dynamics variation, a derivative action is introduced in the outer loop.
Significant findings
: Step-by-step design calculations are provided, and the controller’s effectiveness is quantitatively evaluated using error indices such as Integral Square Error (ISE), Integral Time Absolute Error (ITAE), and Integral Absolute Error (IAE). Lastly, the suggested design is experimentally validated with a Two-Tank system setup.
{"title":"Predictive tuning strategies for different classes of delay dominant chemical processes","authors":"Prabir Singha , Dipjyoti Das , Sudipta Chakraborty","doi":"10.1016/j.jtice.2025.106570","DOIUrl":"10.1016/j.jtice.2025.106570","url":null,"abstract":"<div><h3>Background:</h3><div>Delay-dominant processes are characterized by significant time lags between input actions and output responses. Accounting for these delays is crucial in control design to avoid oscillations and achieve accurate set-point tracking. This study proposes a novel target-loop-based Smith Predictor PID (Proportional-Integral-Derivative) tuning methodology tailored for various delay-dominant systems, including stable, unstable, integrating, double integrating, and inverse response processes.</div></div><div><h3>Methods:</h3><div>A Stabilizing/ disturbance rejection controller is first designed based on the Maximum Sensitivity (<span><math><msub><mrow><mi>M</mi></mrow><mrow><mi>s</mi></mrow></msub></math></span>) criterion. Using both stability margin and <span><math><msub><mrow><mi>M</mi></mrow><mrow><mi>s</mi></mrow></msub></math></span>, a set-point tracking controller is then developed. To further improve performance under plant dynamics variation, a derivative action is introduced in the outer loop.</div></div><div><h3>Significant findings</h3><div>: Step-by-step design calculations are provided, and the controller’s effectiveness is quantitatively evaluated using error indices such as Integral Square Error (ISE), Integral Time Absolute Error (ITAE), and Integral Absolute Error (IAE). Lastly, the suggested design is experimentally validated with a Two-Tank system setup.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"181 ","pages":"Article 106570"},"PeriodicalIF":6.3,"publicationDate":"2025-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145680964","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}
The widespread production and utilization of purified terephthalic acid (PTA) dust in the chemical industry pose significant explosion hazards, driving the need for efficient suppression technologies. Composite dry water (DW) suppressants functionalized with abundant and recyclable chloride salts (NaCl, KCl, CaCl2) were developed to address this risk.
Methods
The explosibility of PTA, the suppression effectiveness and mechanism of composite DW were systematically investigated using a 20-L explosion chamber and physicochemical analyses. The pyrolysis characteristics and gaseous species were investigated through thermogravimetry coupled with Fourier transform infrared spectroscopy (TG-FTIR) analysis.
Significant findings
The results confirmed the severe explosibility of PTA, with a maximum explosion pressure (Pmax) of 6.3 bar and deflagration index (KSt) of 116 bar·m·s-1. Its decomposition generated gaseous aromatics and olefins, with subsequent combustion mainly controlled by homogeneous reactions. All composite DW agents significantly reduced the explosion parameters of PTA, outperforming both pure DW and powdered chloride salts, with efficiency enhanced alongside increased additive loading. Notably, KCl-based DW exhibited better performance, achieving complete explosion scavenging at a 40% addition ratio across all its formulations. The suppression mechanism was attributed to a synergistic effect: physical actions involving water evaporation cooling and silica coating that delays pyrolysis, combined with chemical radical scavenging to disrupt combustion chain reactions. These findings affirm that chloride salts-based composite DW, particularly the KCl-modified DW, presents a highly effective and promising strategy for mitigating PTA dust explosion risks in industrial scenarios.
{"title":"Suppression mechanism of chloride salts-based composite dry water against purified terephthalic acid dust explosion","authors":"Qingjun Xia , Yunqiang Wu , Xundong Zhang , Zhengwei Li , Qingwu Zhang , Yajie Bu , Yuan Yu , Juncheng Jiang","doi":"10.1016/j.jtice.2025.106561","DOIUrl":"10.1016/j.jtice.2025.106561","url":null,"abstract":"<div><h3>Background</h3><div>The widespread production and utilization of purified terephthalic acid (PTA) dust in the chemical industry pose significant explosion hazards, driving the need for efficient suppression technologies. Composite dry water (DW) suppressants functionalized with abundant and recyclable chloride salts (NaCl, KCl, CaCl<sub>2</sub>) were developed to address this risk.</div></div><div><h3>Methods</h3><div>The explosibility of PTA, the suppression effectiveness and mechanism of composite DW were systematically investigated using a 20-L explosion chamber and physicochemical analyses. The pyrolysis characteristics and gaseous species were investigated through thermogravimetry coupled with Fourier transform infrared spectroscopy (TG-FTIR) analysis.</div></div><div><h3>Significant findings</h3><div>The results confirmed the severe explosibility of PTA, with a maximum explosion pressure (P<sub>max</sub>) of 6.3 bar and deflagration index (K<sub>St</sub>) of 116 bar·m·s<sup>-1</sup>. Its decomposition generated gaseous aromatics and olefins, with subsequent combustion mainly controlled by homogeneous reactions. All composite DW agents significantly reduced the explosion parameters of PTA, outperforming both pure DW and powdered chloride salts, with efficiency enhanced alongside increased additive loading. Notably, KCl-based DW exhibited better performance, achieving complete explosion scavenging at a 40% addition ratio across all its formulations. The suppression mechanism was attributed to a synergistic effect: physical actions involving water evaporation cooling and silica coating that delays pyrolysis, combined with chemical radical scavenging to disrupt combustion chain reactions. These findings affirm that chloride salts-based composite DW, particularly the KCl-modified DW, presents a highly effective and promising strategy for mitigating PTA dust explosion risks in industrial scenarios.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"181 ","pages":"Article 106561"},"PeriodicalIF":6.3,"publicationDate":"2025-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145680963","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}
Pub Date : 2025-12-04DOI: 10.1016/j.jtice.2025.106548
Nam Ngoc Pham , Chih-Hsuan Chien , Chin-Wei Chang, Yu-Chen Hu
Background
Dodecanedioic acid (DDA) is a valuable monomer with broad industrial applications. The yeast Candida viswanathii can convert dodecane into 12-carbon DDA, making it an attractive host for metabolic engineering toward sustainable production. A recently developed miniature dCasMINI protein, when fused with the VPR activator, enables efficient CRISPR activation (CRISPRa) in mammalian cells, thereby simplifying gene cloning and advancing gene therapy applications. However, its potential for metabolic engineering in yeast has yet to be explored.
Methods
We reconstituted the dCasMINI system in C. viswanathii and optimized it by modifying nuclear localization signals, sgRNA design, promoters and transcriptional activators. The redesigned system was applied to activate various endogenous genes. The impact of activating different transporter genes on DDA production was evaluated.
Significant findings
The native dCasMINI-VPR system impaired C. viswanathii growth and failed to induce gene expression. By tuning design elements and replacing VPR with another yeast activator (Med2), we established a new dCasMINI-Med2 system that enabled robust activation of both constitutive and inducible genes while minimizing growth defects. Using this system, activation of transporter genes STL1_4 and HST6 enhanced DDA titers by 13–16 %. This study repurposes dCasMINI-based CRISPRa in C. viswanathii for metabolic engineering. The optimized dCasMINI-Med2 platform expands the CRISPRa toolbox for yeasts and demonstrates that transporter regulation can alleviate metabolic bottlenecks and improve DDA biosynthesis.
{"title":"Engineered miniature CRISPR activation system promotes dodecanedioic acid production in Candida viswanathii","authors":"Nam Ngoc Pham , Chih-Hsuan Chien , Chin-Wei Chang, Yu-Chen Hu","doi":"10.1016/j.jtice.2025.106548","DOIUrl":"10.1016/j.jtice.2025.106548","url":null,"abstract":"<div><h3>Background</h3><div>Dodecanedioic acid (DDA) is a valuable monomer with broad industrial applications. The yeast <em>Candida viswanathii</em> can convert dodecane into 12-carbon DDA, making it an attractive host for metabolic engineering toward sustainable production. A recently developed miniature dCasMINI protein, when fused with the VPR activator, enables efficient CRISPR activation (CRISPRa) in mammalian cells, thereby simplifying gene cloning and advancing gene therapy applications. However, its potential for metabolic engineering in yeast has yet to be explored.</div></div><div><h3>Methods</h3><div>We reconstituted the dCasMINI system in <em>C. viswanathii</em> and optimized it by modifying nuclear localization signals, sgRNA design, promoters and transcriptional activators. The redesigned system was applied to activate various endogenous genes. The impact of activating different transporter genes on DDA production was evaluated.</div></div><div><h3>Significant findings</h3><div>The native dCasMINI-VPR system impaired <em>C. viswanathii</em> growth and failed to induce gene expression. By tuning design elements and replacing VPR with another yeast activator (Med2), we established a new dCasMINI-Med2 system that enabled robust activation of both constitutive and inducible genes while minimizing growth defects. Using this system, activation of transporter genes STL1_4 and HST6 enhanced DDA titers by 13–16 %. This study repurposes dCasMINI-based CRISPRa in <em>C. viswanathii</em> for metabolic engineering. The optimized dCasMINI-Med2 platform expands the CRISPRa toolbox for yeasts and demonstrates that transporter regulation can alleviate metabolic bottlenecks and improve DDA biosynthesis.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"181 ","pages":"Article 106548"},"PeriodicalIF":6.3,"publicationDate":"2025-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145681061","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}
Pub Date : 2025-12-04DOI: 10.1016/j.jtice.2025.106546
Syed Ali Ammar Taqvi , Bilal Kazmi , Muhammad Aamir Khan , Dagmar Juchelková , Salman Raza Naqvi
Liquefied natural gas (LNG) production is an energy-intensive process, and mixed-refrigerant cycles dominate industrial applications. This study proposes and optimises a novel propane-free dual mixed refrigerant (DMR) configuration for LNG liquefaction using Aspen HYSYS v14 with the Peng–Robinson EOS. The system eliminates propane to enhance operational safety while maintaining high thermodynamic efficiency. Energy, exergy, and advanced exergy analyses reveal a specific energy consumption (SEC) of 0.29 kW/kg LNG and an exergy efficiency of 67.27 %. The advanced exergy assessment identifies that 68.40 % of total exergy destruction is avoidable, indicating significant potential for further efficiency gains. Comparative benchmarking confirms that the proposed configuration achieves one of the lowest reported SEC values among both propane-based and propane-free DMR cycles. This research provides a technically validated and safer pathway towards sustainable LNG production.
{"title":"Optimization and advanced exergy assessment of a propane-free dual mixed-refrigerant LNG liquefaction process","authors":"Syed Ali Ammar Taqvi , Bilal Kazmi , Muhammad Aamir Khan , Dagmar Juchelková , Salman Raza Naqvi","doi":"10.1016/j.jtice.2025.106546","DOIUrl":"10.1016/j.jtice.2025.106546","url":null,"abstract":"<div><div>Liquefied natural gas (LNG) production is an energy-intensive process, and mixed-refrigerant cycles dominate industrial applications. This study proposes and optimises a novel propane-free dual mixed refrigerant (DMR) configuration for LNG liquefaction using Aspen HYSYS v14 with the Peng–Robinson EOS. The system eliminates propane to enhance operational safety while maintaining high thermodynamic efficiency. Energy, exergy, and advanced exergy analyses reveal a specific energy consumption (SEC) of 0.29 kW/kg LNG and an exergy efficiency of 67.27 %. The advanced exergy assessment identifies that 68.40 % of total exergy destruction is avoidable, indicating significant potential for further efficiency gains. Comparative benchmarking confirms that the proposed configuration achieves one of the lowest reported SEC values among both propane-based and propane-free DMR cycles. This research provides a technically validated and safer pathway towards sustainable LNG production.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"181 ","pages":"Article 106546"},"PeriodicalIF":6.3,"publicationDate":"2025-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145681062","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}
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 kij, which are traditionally fitted to experimental phase equilibrium data.
Methods
This study proposes a novel method to estimate the kij parameters by matching the excess Gibbs free energy predicted by PC-SAFT to that calculated from COSMO-SAC under defined conditions. Thus, the required kij 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.
Significant Findings
The average absolute relative deviation in pressure (AARD-P) and the average absolute deviation in vapor-phase mole fraction (AAD-y) 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 kij 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.
{"title":"Combining PC-SAFT equation of state with COSMO-SAC for vapor-liquid equilibrium prediction","authors":"Chen-Hsing Tseng , Yi-Ru Chen , Shiang-Tai Lin , 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><sub><em>ij</em></sub>, 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><sub><em>ij</em></sub> 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><sub><em>ij</em></sub> 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><sub><em>ij</em></sub> 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":"2025-12-01","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}
Pub Date : 2025-11-30DOI: 10.1016/j.jtice.2025.106547
Yuting Liu , Xianghong Li , Yujie Qiang , Guanben Du , Shuduan Deng
Background
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.
Methods
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.
Significant findings
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.
为了解决钢铁腐蚀问题，寻求绿色缓蚀剂，以农业废弃咖啡皮为原料制备了咖啡皮碳点（CS-CDs）。研究了它们在1.0 M HCl溶液中对冷轧钢的缓蚀效果。方法采用水热法合成scs - cds，利用透射电子显微镜（TEM）、傅里叶红外光谱（FTIR）和x射线光电子能谱（XPS）对其微观结构和化学成分进行表征。采用失重法、电化学、表面表征和理论计算等方法研究了CS-CDs的缓蚀性能。通过在20 ~ 50℃四种温度下的失重试验，发现在40℃时，100 mg L -⁻¹CS-CDs的缓蚀率最高可达93%。这种行为符合Langmuir吸附等温线。电化学阻抗谱（EIS）显示，随着CS-CDs浓度的升高，电荷转移电阻从46.01 Ω·cm2增加到375.9 Ω·cm2。极化曲线（PDP）显示电流密度从540.63 μA cm-2下降到77.55 μA cm-2，证实了CS-CDs是一种以阴极抑制为主的混合型抑制剂。表面表征表明，加入CS-CDs后，钢板表面粗糙度从178 nm降低到31.5 nm，疏水性从35.05 o提高到85.16 o，表明CS-CDs在CRS上有较强的吸附作用。理论计算表明，CS-CDs通过平行的物理和化学机制吸附在Fe（110）表面。这项工作表明，开发植物源性CDs作为高效环保的缓蚀剂是一种很有前途的策略。
{"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 , Xianghong Li , Yujie Qiang , Guanben Du , 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·cm<sup>2</sup> to 375.9 Ω·cm<sup>2</sup> with rising CS-CDs concentrations. Polarisation curves (PDP) indicated a decrease in current density from 540.63 μA cm<sup>-2</sup> to 77.55 μA cm<sup>-2</sup>, 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 <sup>o</sup> to 85.16 <sup>o</sup>, 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":"2025-11-30","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}
Pub Date : 2025-11-30DOI: 10.1016/j.jtice.2025.106549
Xiong Huang , Fei Fei Dai , Kai Feng Wang , Qian Yang , Peng Xiang , Li Nan Xu , Si Ting Wang , Jing Yi Lin , Jian Hua Chen
Background
Electrochemical water splitting represents a sustainable pathway for high-purity hydrogen production. However, the intrinsic slow kinetics of the anodic oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) always lead to decreased efficiency in hydrogen production. The development of catalysts capable of efficiently catalyzing HER and OER plays a crucial role in promoting sustainable, efficient, and economical hydrogen energy production through the overall water splitting process.
Methods
In this study, we construct a self-supported CuMoO4/S-MWCNTs@Co3O4/NF heterostructure catalyst through a stepwise synthesis strategy: (1) hydrothermal growth of CuMoO4/short carboxylated multi-walled carbon nanotubes (S-MWCNTs) on NF, followed by (2) Co3O4 was deposited on CuMoO4/S-MWCNTs/NF by impregnation method to obtain CuMoO4/S-MWCNTs@Co3O4/NF self-supported composites.
Significant findings
The prepared self-supported CuMoO4/S-MWCNTs@Co3O4/NF possesses an overpotential of only 117 mV at 50 mA cm-2 for OER. While in the case of HER, it shows only 7 mV at 10 mA cm-2. More importantly, the CuMoO4/S-MWCNTs@Co3O4/NF catalyst, serving as both cathode and anode in overall water splitting, demonstrates a remarkable 1.18 V cell voltage at 10 mA cm-2 in 1 M KOH, surpassing most reported non-precious metal catalysts.
电化学水分解是一种可持续的高纯度氢气生产途径。然而，阳极析氧反应（OER）和析氢反应（HER）固有的慢动力学特性往往导致产氢效率下降。高效催化HER和OER的催化剂的开发对于促进整个水裂解过程中可持续、高效、经济的制氢具有至关重要的作用。方法采用分步合成策略构建CuMoO4/S-MWCNTs@Co3O4/NF自持异质结构催化剂：(1)在NF上水热生长CuMoO4/短羧基化多壁碳纳米管（S-MWCNTs），(2)通过浸渍法在CuMoO4/S-MWCNTs/NF上沉积Co3O4，得到CuMoO4/S-MWCNTs@Co3O4/NF自持复合材料。制备的自支撑CuMoO4/S-MWCNTs@Co3O4/NF在50 mA cm-2下的过电位仅为117 mV。而在HER的情况下，它在10毫安cm-2时仅显示7毫伏。更重要的是，CuMoO4/S-MWCNTs@Co3O4/NF催化剂在整个水分解过程中同时充当阴极和阳极，在1 M KOH条件下，在10 mA cm-2条件下具有1.18 V的电池电压，超过了大多数报道的非贵金属催化剂。
{"title":"Self-supported CuMoO4/S-MWCNTs@Co3O4/NF heterostructure as bifunctional electrocatalyst for efficient water splitting","authors":"Xiong Huang , Fei Fei Dai , Kai Feng Wang , Qian Yang , Peng Xiang , Li Nan Xu , Si Ting Wang , Jing Yi Lin , Jian Hua Chen","doi":"10.1016/j.jtice.2025.106549","DOIUrl":"10.1016/j.jtice.2025.106549","url":null,"abstract":"<div><h3>Background</h3><div>Electrochemical water splitting represents a sustainable pathway for high-purity hydrogen production. However, the intrinsic slow kinetics of the anodic oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) always lead to decreased efficiency in hydrogen production. The development of catalysts capable of efficiently catalyzing HER and OER plays a crucial role in promoting sustainable, efficient, and economical hydrogen energy production through the overall water splitting process.</div></div><div><h3>Methods</h3><div>In this study, we construct a self-supported CuMoO<sub>4</sub>/S-MWCNTs@Co<sub>3</sub>O<sub>4</sub>/NF heterostructure catalyst through a stepwise synthesis strategy: (1) hydrothermal growth of CuMoO<sub>4</sub>/short carboxylated multi-walled carbon nanotubes (S-MWCNTs) on NF, followed by (2) Co<sub>3</sub>O<sub>4</sub> was deposited on CuMoO<sub>4</sub>/S-MWCNTs/NF by impregnation method to obtain CuMoO<sub>4</sub>/S-MWCNTs@Co<sub>3</sub>O<sub>4</sub>/NF self-supported composites.</div></div><div><h3>Significant findings</h3><div>The prepared self-supported CuMoO<sub>4</sub>/S-MWCNTs@Co<sub>3</sub>O<sub>4</sub>/NF possesses an overpotential of only 117 mV at 50 mA cm<sup>-2</sup> for OER. While in the case of HER, it shows only 7 mV at 10 mA cm<sup>-2</sup>. More importantly, the CuMoO<sub>4</sub>/S-MWCNTs@Co<sub>3</sub>O<sub>4</sub>/NF catalyst, serving as both cathode and anode in overall water splitting, demonstrates a remarkable 1.18 V cell voltage at 10 mA cm<sup>-2</sup> in 1 M KOH, surpassing most reported non-precious metal catalysts.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"181 ","pages":"Article 106549"},"PeriodicalIF":6.3,"publicationDate":"2025-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145681065","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}
Pub Date : 2025-11-29DOI: 10.1016/j.jtice.2025.106543
Chen-Xiang Wang , Hao Yang , Li-Wei Liu , Ji-Peng Han , Xue-Fen Zhang
Background
Superhydrophobic coatings have shown great promise in providing temporary corrosion protection for aluminum alloys. However, their long-term effectiveness is often compromised by poor mechanical durability and the lack of active protection.
Methods
In this study, we developed a novel protection coating by integrating a functional epoxy primer containing 8-hydroxyquinoline-loaded mesoporous SiO2 nanocontainers (8-HQ@MSNs) and a superhydrophobic SiO2 topcoat.
Significant findings
After chemical and structural characterization of 8-HQ@MSNs, its optimized content is determined to be 0.5 %. The resulting coating provides long-term protection for aluminum alloys in 3.5 wt. % NaCl solution over 30 days. Notably, the low-frequency impedance modulus of the scratched coating, even after immersion in NaCl solution for 12 h, is one order of magnitude higher than that of the coating lacking 8-HQ with a shorter corrosion duration (6 h). Furthermore, this coating exhibits a strong interfacial bond with aluminum alloys (Grade 0) and can withstand an abrasion distance of 1360 cm on 600 grit sandpaper under a 100 g load, as well as 140 min of continuous high-pressure water impact (25 kPa) without losing its superhydrophobic properties. This study is expected to contribute new insights into developing durable superhydrophobic coatings with active protection for aluminum alloys.
{"title":"Enhanced corrosion protection of superhydrophobic SiO2/epoxy composite coatings for aluminum alloys with 8-HQ incorporated MSNs containers","authors":"Chen-Xiang Wang , Hao Yang , Li-Wei Liu , Ji-Peng Han , Xue-Fen Zhang","doi":"10.1016/j.jtice.2025.106543","DOIUrl":"10.1016/j.jtice.2025.106543","url":null,"abstract":"<div><h3>Background</h3><div>Superhydrophobic coatings have shown great promise in providing temporary corrosion protection for aluminum alloys. However, their long-term effectiveness is often compromised by poor mechanical durability and the lack of active protection.</div></div><div><h3>Methods</h3><div>In this study, we developed a novel protection coating by integrating a functional epoxy primer containing 8-hydroxyquinoline-loaded mesoporous SiO<sub>2</sub> nanocontainers (8-HQ@MSNs) and a superhydrophobic SiO<sub>2</sub> topcoat.</div></div><div><h3>Significant findings</h3><div>After chemical and structural characterization of 8-HQ@MSNs, its optimized content is determined to be 0.5 %. The resulting coating provides long-term protection for aluminum alloys in 3.5 wt. % NaCl solution over 30 days. Notably, the low-frequency impedance modulus of the scratched coating, even after immersion in NaCl solution for 12 h, is one order of magnitude higher than that of the coating lacking 8-HQ with a shorter corrosion duration (6 h). Furthermore, this coating exhibits a strong interfacial bond with aluminum alloys (Grade 0) and can withstand an abrasion distance of 1360 cm on 600 grit sandpaper under a 100 g load, as well as 140 min of continuous high-pressure water impact (25 kPa) without losing its superhydrophobic properties. This study is expected to contribute new insights into developing durable superhydrophobic coatings with active protection for aluminum alloys.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"181 ","pages":"Article 106543"},"PeriodicalIF":6.3,"publicationDate":"2025-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145615092","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}
Pub Date : 2025-11-29DOI: 10.1016/j.jtice.2025.106545
Yayuan Zheng, Hao Lv, Huaiming Du, Bo Xing
Background
Diammonium hydrogen phosphate (DAP) crystallization control is critical for industrial applications, but non-thermal kinetic complexity hinders process optimization. Existing models face limitations in describing stirred systems, necessitating DAP-specific approaches.
Methods
Three models (Nývlt, self-consistent Nývlt, 3D classical nucleation theory) were compared to predict metastable zone width, with the self-consistent Nývlt model showing superior correlation. PBM coupled with size-dependent growth models (CR and ASL) analyzed crystal size distribution, while the moment transformation method simplified kinetic calculations by linking nucleation/growth rates to moment evolution (e.g., zero-order and first-order moments of particle density). Interfacial energy (γ) and surface roughness factor (f) were derived from induction period data, and nucleation/growth rates were correlated with supersaturation, stirring rate, and suspension density.
Significant findings
Stirring rate narrows, while cooling rate broadens, the metastable zone; the self-consistent Nývlt model offers superior prediction. The ASL model best describes growth kinetics (error = 10.32 %), with growth rate dependent on supersaturation (exponent 3.03) and stirring rate (5.459). Homogeneous nucleation dominates at supersaturation >1.10 (γ ∼10–3 J·m⁻², f < 3). The model aids DAP process optimization and informs similar systems.
{"title":"Non-thermal crystallization kinetics of ammonium hydrogen phosphate in stirred systems: Metastable zone characterization, moment-based modeling, and size-dependent growth dynamics","authors":"Yayuan Zheng, Hao Lv, Huaiming Du, Bo Xing","doi":"10.1016/j.jtice.2025.106545","DOIUrl":"10.1016/j.jtice.2025.106545","url":null,"abstract":"<div><h3>Background</h3><div>Diammonium hydrogen phosphate (DAP) crystallization control is critical for industrial applications, but non-thermal kinetic complexity hinders process optimization. Existing models face limitations in describing stirred systems, necessitating DAP-specific approaches.</div></div><div><h3>Methods</h3><div>Three models (Nývlt, self-consistent Nývlt, 3D classical nucleation theory) were compared to predict metastable zone width, with the self-consistent Nývlt model showing superior correlation. PBM coupled with size-dependent growth models (CR and ASL) analyzed crystal size distribution, while the moment transformation method simplified kinetic calculations by linking nucleation/growth rates to moment evolution (e.g., zero-order and first-order moments of particle density). Interfacial energy (<em>γ</em>) and surface roughness factor (<em>f</em>) were derived from induction period data, and nucleation/growth rates were correlated with supersaturation, stirring rate, and suspension density.</div></div><div><h3>Significant findings</h3><div>Stirring rate narrows, while cooling rate broadens, the metastable zone; the self-consistent Nývlt model offers superior prediction. The ASL model best describes growth kinetics (error = 10.32 %), with growth rate dependent on supersaturation (exponent 3.03) and stirring rate (5.459). Homogeneous nucleation dominates at supersaturation >1.10 (<em>γ</em> ∼10<sup>–3</sup> J·m⁻², <em>f</em> < 3). The model aids DAP process optimization and informs similar systems.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"181 ","pages":"Article 106545"},"PeriodicalIF":6.3,"publicationDate":"2025-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145615094","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}
Pub Date : 2025-11-28DOI: 10.1016/j.jtice.2025.106542
Zixuan Lin , Jiao Wang , Siyue Zhang , Biwen Zhu , Haiquan Yu , Cong Yu , Wei Fan
Background:
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.
Methods:
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.
Significant Findings:
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.
{"title":"Robust Probabilistic Sparse Identification of nonlinear dynamics for industrial anomaly detection","authors":"Zixuan Lin , Jiao Wang , Siyue Zhang , Biwen Zhu , Haiquan Yu , Cong Yu , 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":"2025-11-28","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}
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