Pub Date : 2025-12-30DOI: 10.1016/j.jtice.2025.106608
Xiaohan Wei , Chen Wang , Tianyi Zhao , Wenxian Wang , Wenming Song , Lihua Cheng , Shujuan Huang , Xuejun Bi
Background
A reverse osmosis (RO) —mediated water recovery process generates reverse osmosis concentrate (ROC), a hypersaline byproduct containing retained contaminants. The direct discharge of untreated ROC into aquatic environments results in a significant waste of water resources and poses significant environmental risks.
Methods
To address the challenges posed by refractory organic pollutants in ROC, we developed iron-modified activated carbon fiber (Fe-ACF). An L9(3⁴) orthogonal array was designed to identify the best modification conditions. The best modification conditions were identified as 10% by mass Fe(NO₃)₃, 1 h of ultrasonic impregnation, and activation at 750 °C.Among these, high-temperature activation was the dominant factor affecting the adsorption performance of Fe-ACF (p < 0.05).
Significant findings
The Fe-ACF exhibited a 257% increase in mesopore volume and was loaded with 4.93% iron by mass to form Fe₃O₄/Fe₂O₃ composite oxides on its surface. The Fe-ACF achieved a 22.73% reduction in hydrophilic organics (HPI) and a 49.54% removal of humic acid-like fluorophores. The improved adsorption performance can be attributed to three synergistic mechanisms: expansion of mesoporous structures, chemisorption mediated by Fe-O bonds, and π-π electron interactions. The results of this study may provide a novel approach for the adsorption-based removal of various organic pollutants in ROC.
{"title":"Development of iron-modified activated carbon fiber (Fe-ACF) for organic pollutant removal from reverse osmosis concentrate: Modification conditions optimization and adsorption mechanism","authors":"Xiaohan Wei , Chen Wang , Tianyi Zhao , Wenxian Wang , Wenming Song , Lihua Cheng , Shujuan Huang , Xuejun Bi","doi":"10.1016/j.jtice.2025.106608","DOIUrl":"10.1016/j.jtice.2025.106608","url":null,"abstract":"<div><h3>Background</h3><div>A reverse osmosis (RO) —mediated water recovery process generates reverse osmosis concentrate (ROC), a hypersaline byproduct containing retained contaminants. The direct discharge of untreated ROC into aquatic environments results in a significant waste of water resources and poses significant environmental risks.</div></div><div><h3>Methods</h3><div>To address the challenges posed by refractory organic pollutants in ROC, we developed iron-modified activated carbon fiber (Fe-ACF). An L9(3⁴) orthogonal array was designed to identify the best modification conditions. The best modification conditions were identified as 10% by mass Fe(NO₃)₃, 1 h of ultrasonic impregnation, and activation at 750 °C.Among these, high-temperature activation was the dominant factor affecting the adsorption performance of Fe-ACF (<em>p</em> < 0.05).</div></div><div><h3>Significant findings</h3><div>The Fe-ACF exhibited a 257% increase in mesopore volume and was loaded with 4.93% iron by mass to form Fe₃O₄/Fe₂O₃ composite oxides on its surface. The Fe-ACF achieved a 22.73% reduction in hydrophilic organics (HPI) and a 49.54% removal of humic acid-like fluorophores. The improved adsorption performance can be attributed to three synergistic mechanisms: expansion of mesoporous structures, chemisorption mediated by Fe-O bonds, and π-π electron interactions. The results of this study may provide a novel approach for the adsorption-based removal of various organic pollutants in ROC.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"182 ","pages":"Article 106608"},"PeriodicalIF":6.3,"publicationDate":"2025-12-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145880928","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}
Energy storage systems are essential for the management of renewable energy sources. This study investigates enhancement of heat transfer and melting dynamics in a cylindrical porous storage tank fitted with thermal fins. The molten phase-change nanomaterial is modeled as a non-Newtonian fluid using the Carreau constitutive relation.
Methods
The governing equations and boundary conditions are formulated in cylindrical coordinates using the enthalpy–porosity method to represent phase change. The equations are then transferred to their dimensionless form. Finally, they are solved by applying the Finite Element Method.
Findings
Key findings reveal that the inclusion of nanoparticles improves thermal energy transfer, yet reduces melting velocity due to increased viscosity compared to pure kerosene. The local thermal equilibrium condition is maintained between the kerosene-alumina nanofluid and the iron foam. This research offers fresh perspectives on enhancing non-Newtonian phase-change nanomaterials for energy storage systems, contributing to the development of more efficient renewable energy technologies.
{"title":"Melting process inside a fin equipped energy storage filled by non-Newtonian Nano-phase change material","authors":"Alireza Kazemi , Mohsen Izadi , Ehsanolah Assareh , Ali Ershadi","doi":"10.1016/j.jtice.2025.106589","DOIUrl":"10.1016/j.jtice.2025.106589","url":null,"abstract":"<div><h3>Background</h3><div>Energy storage systems are essential for the management of renewable energy sources. This study investigates enhancement of heat transfer and melting dynamics in a cylindrical porous storage tank fitted with thermal fins. The molten phase-change nanomaterial is modeled as a non-Newtonian fluid using the Carreau constitutive relation.</div></div><div><h3>Methods</h3><div>The <em>governing equations and boundary conditions are</em> formulated in cylindrical coordinates using the enthalpy–porosity method to represent phase change<em>. The equations are then transferred to their dimensionless form. Finally, they are solved by applying the Finite Element Method.</em></div></div><div><h3>Findings</h3><div>Key findings reveal that the inclusion of nanoparticles improves thermal energy transfer, yet reduces melting velocity due to increased viscosity compared to pure kerosene. The local thermal equilibrium condition is maintained between the kerosene-alumina nanofluid and the iron foam. This research offers fresh perspectives on enhancing non-Newtonian phase-change nanomaterials for energy storage systems, contributing to the development of more efficient renewable energy technologies.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"182 ","pages":"Article 106589"},"PeriodicalIF":6.3,"publicationDate":"2025-12-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145880929","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}
Tetracycline accumulation in nature poses environmental and health risks. This study develops concave hollow double-layer polymers (CHDPs) via modified self-assembly for solar-driven tetracycline degradation and simultaneously produces hydrogen peroxide.
Methods
CHDPs, synthesized from 3-aminophenol and formaldehyde, contain benzoquinone donor-acceptor moieties. This structure enables photocatalytic hydrogen peroxide generation from water and oxygen, as well as the photocatalytic degradation of tetracycline.
Significant findings
CHDP’s polymer has a narrow bandgap, and a concave architecture that enhances light harvesting/charge transfer, which achieves -1390.5 % tetracycline conversion at 447 nm/12 W/pH 10/1 mg l-1 via acidic intermediate generation, and simultaneous H2O2 production was 110.3 mg g-1, and the ability to inhibit the self-decomposition of hydrogen peroxide. The operational stability was >80 % efficiency retention after 4 cycles. CHDPs enable cost-effective pollutant degradation while overcoming infrared-dependent limitations of conventional photocatalysts.
{"title":"Solar-driven simultaneous tetracycline degradation and hydrogen peroxide production via concave hollow double-layer polymers","authors":"Wen Jiang, Ying Tian, Xinyu Huang, Xinyi Liao, Jiahui Zhu, Chunyi Li, Rongtai Yu","doi":"10.1016/j.jtice.2025.106606","DOIUrl":"10.1016/j.jtice.2025.106606","url":null,"abstract":"<div><h3>Background</h3><div>Tetracycline accumulation in nature poses environmental and health risks. This study develops concave hollow double-layer polymers (CHDPs) via modified self-assembly for solar-driven tetracycline degradation and simultaneously produces hydrogen peroxide.</div></div><div><h3>Methods</h3><div>CHDPs, synthesized from 3-aminophenol and formaldehyde, contain benzoquinone donor-acceptor moieties. This structure enables photocatalytic hydrogen peroxide generation from water and oxygen, as well as the photocatalytic degradation of tetracycline.</div></div><div><h3>Significant findings</h3><div>CHDP’s polymer has a narrow bandgap, and a concave architecture that enhances light harvesting/charge transfer, which achieves -1390.5 % tetracycline conversion at 447 nm/12 W/pH 10/1 mg <span>l</span><sup>-1</sup> via acidic intermediate generation, and simultaneous H<sub>2</sub>O<sub>2</sub> production was 110.3 mg g<sup>-1</sup>, and the ability to inhibit the self-decomposition of hydrogen peroxide. The operational stability was >80 % efficiency retention after 4 cycles. CHDPs enable cost-effective pollutant degradation while overcoming infrared-dependent limitations of conventional photocatalysts.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"182 ","pages":"Article 106606"},"PeriodicalIF":6.3,"publicationDate":"2025-12-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145880926","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 : 2025-12-28DOI: 10.1016/j.jtice.2025.106596
Sreekanth TVM , Yazan M. Allawi , Mohan Reddy Pallavolu , Samikannu Prabu
Background
The development of cost-effective and high-performance bifunctional electrocatalysts is essential for advancing alkaline water electrolysis technologies.
Methods
In this work, we present a poly-crystalline cobalt-molybdenum phosphate integrated within a conductive carbon matrix (CoMoP@C), synthesized through a simple and cost-effective co-precipitation process, followed by a phosphidation process. Structural analysis confirms the formation of Co3Mo(PO4)2·4H2O with Co and Mo homogeneously distributed within a sphere-like, porous nanostructure anchored on carbon. This architecture not only provides a large electrochemically active surface area (ECSA) but also facilitates efficient charge transport.
Findings
Electrochemical evaluation in 1.0 M KOH reveals outstanding bifunctional activity: CoMoP@C exhibits low overpotentials of 106 mV for the hydrogen evolution reaction (HER) and 195 mV for the oxygen evolution reaction (OER) at 10 mA cm⁻2, along with favorable Tafel slopes and excellent operational durability. When assembled in a two-electrode configuration (CoMoP@C‖CoMoP@C), the system requires a cell voltage of only 1.594 V to operate overall water splitting, matching commercial benchmarks. The enhanced performance is attributed to the synergistic electronic interaction between Mo and Co, and the structural benefits of the phosphate-carbon hybrid, which together promote rapid kinetics and long-term stability. These findings establish CoMoP@C as a highly promising, earth-abundant bifunctional electrocatalyst for efficient water splitting in alkaline media.
开发高性价比、高性能的双功能电催化剂是推进碱水电解技术发展的必要条件。在这项工作中,我们提出了一种集成在导电碳基体内的多晶钴钼磷酸盐(CoMoP@C),通过简单且具有成本效益的共沉淀工艺合成,然后进行磷化工艺。结构分析证实了Co3Mo(PO4)2·4H2O的形成,Co和Mo均匀分布在锚定在碳上的球状多孔纳米结构中。这种结构不仅提供了一个大的电化学活性表面积(ECSA),而且促进了有效的电荷传输。发现:在1.0 M KOH条件下的电化学评价显示出突出的双功能活性:CoMoP@C在10 mA cm - 2条件下,析氢反应(HER)的过电位为106 mV,析氧反应(OER)的过电位为195 mV,具有良好的塔菲尔斜率和良好的操作耐久性。当组装在一个双电极配置(CoMoP@C‖CoMoP@C),该系统只需要1.594 V的电池电压运行整体水分解,符合商业基准。这种增强的性能归因于Mo和Co之间的协同电子相互作用,以及磷酸盐-碳杂化物的结构优势,它们共同促进了快速动力学和长期稳定性。这些发现表明CoMoP@C是一种非常有前途的、地球上丰富的双功能电催化剂,用于在碱性介质中有效地分解水。
{"title":"Synergistic engineering of CoMoP@C hierarchical porous nanostructures for superior alkaline overall water splitting","authors":"Sreekanth TVM , Yazan M. Allawi , Mohan Reddy Pallavolu , Samikannu Prabu","doi":"10.1016/j.jtice.2025.106596","DOIUrl":"10.1016/j.jtice.2025.106596","url":null,"abstract":"<div><h3>Background</h3><div>The development of cost-effective and high-performance bifunctional electrocatalysts is essential for advancing alkaline water electrolysis technologies.</div></div><div><h3>Methods</h3><div>In this work, we present a poly-crystalline cobalt-molybdenum phosphate integrated within a conductive carbon matrix (CoMoP@C), synthesized through a simple and cost-effective co-precipitation process, followed by a phosphidation process. Structural analysis confirms the formation of Co<sub>3</sub>Mo(PO<sub>4</sub>)<sub>2</sub>·4H<sub>2</sub>O with Co and Mo homogeneously distributed within a sphere-like, porous nanostructure anchored on carbon. This architecture not only provides a large electrochemically active surface area (ECSA) but also facilitates efficient charge transport.</div></div><div><h3>Findings</h3><div>Electrochemical evaluation in 1.0 M KOH reveals outstanding bifunctional activity: CoMoP@C exhibits low overpotentials of 106 mV for the hydrogen evolution reaction (HER) and 195 mV for the oxygen evolution reaction (OER) at 10 mA cm⁻<sup>2</sup>, along with favorable Tafel slopes and excellent operational durability. When assembled in a two-electrode configuration (CoMoP@C‖CoMoP@C), the system requires a cell voltage of only 1.594 V to operate overall water splitting, matching commercial benchmarks. The enhanced performance is attributed to the synergistic electronic interaction between Mo and Co, and the structural benefits of the phosphate-carbon hybrid, which together promote rapid kinetics and long-term stability. These findings establish CoMoP@C as a highly promising, earth-abundant bifunctional electrocatalyst for efficient water splitting in alkaline media.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"182 ","pages":"Article 106596"},"PeriodicalIF":6.3,"publicationDate":"2025-12-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145880932","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}
Oily wastes produced by developing industries can cause harmful effects on living organisms and the environment. Metal–organic frameworks (MOFs) have emerged as promising candidates for addressing this issue due to their porosity and tunable surface properties, which enable efficient oil–water separation.
Methods
In this study, UiO-66 and its functionalized derivatives (UiO-66.NO₂, and UiO-66.(COOH)₂) were successfully coated onto stainless steel mesh (SSM) surfaces via a solvothermal method. The resulting membranes were systematically characterized for their crystal structure, surface morphology, roughness, wettability, pore characteristics, and stability under harsh conditions using FESEM, EDS, XRD, TGA, and contact angle measurements.
Significant Findings
The introduction of functional groups strongly influenced membrane morphology, hydrophilic/hydrophobic balance, and separation performance. The membranes exhibited superhydrophilicity and underwater superoleophobicity due to the formation of hydrophilic layers within hierarchical structures. The UiO-66.NO₂ membrane (spherical morphology) achieved the highest permeation flux (>130,000 L m⁻² h⁻¹) with a separation efficiency above 98 %, while the UiO-66.(COOH)₂ membrane (irregular morphology) showed superior oil–water separation efficiency. The unmodified UiO-66 (polyhedral morphology) demonstrated intermediate performance. These findings highlight the role of functional groups in tailoring MOF-based membranes for efficient oil–water separation.
发展中的工业产生的垃圾会对生物和环境造成有害影响。金属有机框架(mof)由于其孔隙度和可调的表面特性,可以实现高效的油水分离,因此成为解决这一问题的有希望的候选者。方法本研究将UiO-66及其功能化衍生物(UiO-66);NO₂和UiO-66。(COOH) 2)通过溶剂热法成功地涂覆在不锈钢网(SSM)表面。通过FESEM、EDS、XRD、TGA和接触角测量,系统地表征了所得膜的晶体结构、表面形貌、粗糙度、润湿性、孔隙特性和恶劣条件下的稳定性。重要发现官能团的引入强烈影响膜形态、亲疏水平衡和分离性能。由于在分层结构中形成亲水层,膜具有超亲水性和水下超疏油性。uio - 66。no2膜(球形形态)达到了最高的渗透通量(>130,000 L m⁻²h⁻¹),分离效率在98%以上。(COOH) 2膜(形态不规则)具有较好的油水分离效果。未修饰的UiO-66(多面体形态)表现出中等的性能。这些发现强调了官能团在定制mof基膜以实现高效油水分离中的作用。
{"title":"Functional group engineering of UiO-66 MOFs: Dual control of morphology and surface chemistry for high-flux, stable oil–water separation membranes","authors":"Fatemeh Sahloroud , Mostafa Lashkarbolooki , Majid Peyravi , Mohsen Jahanshahi","doi":"10.1016/j.jtice.2025.106597","DOIUrl":"10.1016/j.jtice.2025.106597","url":null,"abstract":"<div><h3>Background</h3><div>Oily wastes produced by developing industries can cause harmful effects on living organisms and the environment. Metal–organic frameworks (MOFs) have emerged as promising candidates for addressing this issue due to their porosity and tunable surface properties, which enable efficient oil–water separation.</div></div><div><h3>Methods</h3><div>In this study, UiO-66 and its functionalized derivatives (UiO-66.NO₂, and UiO-66.(COOH)₂) were successfully coated onto stainless steel mesh (SSM) surfaces via a solvothermal method. The resulting membranes were systematically characterized for their crystal structure, surface morphology, roughness, wettability, pore characteristics, and stability under harsh conditions using FESEM, EDS, XRD, TGA, and contact angle measurements.</div></div><div><h3>Significant Findings</h3><div>The introduction of functional groups strongly influenced membrane morphology, hydrophilic/hydrophobic balance, and separation performance. The membranes exhibited superhydrophilicity and underwater superoleophobicity due to the formation of hydrophilic layers within hierarchical structures. The UiO-66.NO₂ membrane (spherical morphology) achieved the highest permeation flux (>130,000 L m⁻² h⁻¹) with a separation efficiency above 98 %, while the UiO-66.(COOH)₂ membrane (irregular morphology) showed superior oil–water separation efficiency. The unmodified UiO-66 (polyhedral morphology) demonstrated intermediate performance. These findings highlight the role of functional groups in tailoring MOF-based membranes for efficient oil–water separation.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"182 ","pages":"Article 106597"},"PeriodicalIF":6.3,"publicationDate":"2025-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145880934","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 : 2025-12-27DOI: 10.1016/j.jtice.2025.106601
Ankush Kumar , Chih Chen , Nilesh Badwe
Background
Nanocrystalline copper (NC-Cu) is a promising material for submicron via Cu-Cu bonding, where nano-twinned Cu (NT-Cu) cannot be easily deposited. Producing adequate stable NC-Cu requires optimization of plating parameters, Bonding comparisons with highly unstable fine-grained Cu with such NC-Cu are limited, and interface elimination remains challenging.
Methods
FG-Cu (∼150 nm) and NC-Cu (∼85 nm) were prepared via conventional and pulse electroplating, respectively. The effects of additives on bonding quality, thermal stability, and grain growth were examined. Bonding was performed at 200 °C under 20 MPa in vacuum for 1 h, and shear strength was measured.
Significant Findings
Pulse electrodeposition reduced grain size and enhanced bonding. NC-Cu exhibited higher shear strength (50.1 MPa) than FG-Cu (40.0 MPa) due to improved interface elimination.
{"title":"Nanocrystalline copper for thermally efficient Cu-Cu bonding","authors":"Ankush Kumar , Chih Chen , Nilesh Badwe","doi":"10.1016/j.jtice.2025.106601","DOIUrl":"10.1016/j.jtice.2025.106601","url":null,"abstract":"<div><h3>Background</h3><div>Nanocrystalline copper (NC-Cu) is a promising material for submicron via Cu-Cu bonding, where nano-twinned Cu (NT-Cu) cannot be easily deposited. Producing adequate stable NC-Cu requires optimization of plating parameters, Bonding comparisons with highly unstable fine-grained Cu with such NC-Cu are limited, and interface elimination remains challenging.</div></div><div><h3>Methods</h3><div>FG-Cu (∼150 nm) and NC-Cu (∼85 nm) were prepared via conventional and pulse electroplating, respectively. The effects of additives on bonding quality, thermal stability, and grain growth were examined. Bonding was performed at 200 °C under 20 MPa in vacuum for 1 h, and shear strength was measured.</div></div><div><h3>Significant Findings</h3><div>Pulse electrodeposition reduced grain size and enhanced bonding. NC-Cu exhibited higher shear strength (50.1 MPa) than FG-Cu (40.0 MPa) due to improved interface elimination.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"182 ","pages":"Article 106601"},"PeriodicalIF":6.3,"publicationDate":"2025-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145880931","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 : 2025-12-27DOI: 10.1016/j.jtice.2025.106602
Xiaodi Chen , Shucen Liu , Liping Wang, Xiong Xie, Chuang Chen, Xinpeng Guo, Hongyun Yang
Background
This study compares two pathways for sustainable N, N-dimethylformamide (DMF) production: the homogeneous reaction between CO and dimethyl amine (DMA) catalyzed by sodium methoxide (Process 1) and the heterogeneous reaction between CO2, H2, and DMA carried out in a fixed bed reactor (Process 2), assessing their thermodynamic, economic, and environmental performance.
Methods
Thermodynamic equilibrium and yield were calculated with the BWRS equation of state over 100–300 °C and 1–30 atm; Aspen Plus simulated full 100,000 tons per year flowsheets, energy use, carbon tracking and unit-level costing.
Significant Findings
For Process 1, the equilibrium constant and DMF yield decrease with increasing temperature; the thermodynamic optimum occurs at 130 °C, whereas industrial operation at 190 °C and 30 atm delivers the highest yield. In contrast, Process 2 exhibits higher equilibrium constants and DMF yields at lower temperatures and high pressure (150 °C, 30 atm). In addition, Process 2 has demonstrated significantly lower carbon emissions than Process 1, delivering superior environmental merits. Economic analysis further revealed that Process 2 held advantages in equipment investment, raw material costs and utility expenses, and demonstrated overall process economics and sustainability. This approach provided a more promising technical path for heterogenized green production of DMF and other formamides as well.
{"title":"Aspen Simulation and Thermodynamic Analysis for CO2 hydroformylation towards sustainable DMF production","authors":"Xiaodi Chen , Shucen Liu , Liping Wang, Xiong Xie, Chuang Chen, Xinpeng Guo, Hongyun Yang","doi":"10.1016/j.jtice.2025.106602","DOIUrl":"10.1016/j.jtice.2025.106602","url":null,"abstract":"<div><h3>Background</h3><div>This study compares two pathways for sustainable N, N-dimethylformamide (DMF) production: the homogeneous reaction between CO and dimethyl amine (DMA) catalyzed by sodium methoxide (Process 1) and the heterogeneous reaction between CO<sub>2</sub>, H<sub>2</sub>, and DMA carried out in a fixed bed reactor (Process 2), assessing their thermodynamic, economic, and environmental performance.</div></div><div><h3>Methods</h3><div>Thermodynamic equilibrium and yield were calculated with the BWRS equation of state over 100–300 °C and 1–30 atm; Aspen Plus simulated full 100,000 tons per year flowsheets, energy use, carbon tracking and unit-level costing.</div></div><div><h3>Significant Findings</h3><div>For Process 1, the equilibrium constant and DMF yield decrease with increasing temperature; the thermodynamic optimum occurs at 130 °C, whereas industrial operation at 190 °C and 30 atm delivers the highest yield. In contrast, Process 2 exhibits higher equilibrium constants and DMF yields at lower temperatures and high pressure (150 °C, 30 atm). In addition, Process 2 has demonstrated significantly lower carbon emissions than Process 1, delivering superior environmental merits. Economic analysis further revealed that Process 2 held advantages in equipment investment, raw material costs and utility expenses, and demonstrated overall process economics and sustainability. This approach provided a more promising technical path for heterogenized green production of DMF and other formamides as well.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"182 ","pages":"Article 106602"},"PeriodicalIF":6.3,"publicationDate":"2025-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837749","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 : 2025-12-26DOI: 10.1016/j.jtice.2025.106588
Manh B Nguyen , Le Van Dung , Tan Le Hoang Doan , Pham Tung Son , Sanjit Nayak , Thi Hai Yen Pham , Valeska P. Ting , Huan V. Doan
Background
Zirconium-based metal-organic frameworks are promising candidates for catalytic applications due to their high structural stability, tunable porosity, and acidity. However, the influence of organic linkers on their acid site distribution, pore structure, and catalytic activity, particularly in hydrolysis and oxidative desulfurization reactions, has not been fully explored.
Methods
A series of Zr-MOFs was synthesized using a microwave-assisted solvothermal method at 100 °C for 30 minutes, reducing reaction times by 20–50 times compared to conventional solvothermal approaches. Structural, textural properties, acidity and defect content were characterized using TEM, BET, NH3-TPD, FTIR-CD3CN, ESR and XPS. The catalytic activity was evaluated for the hydrolysis of paraoxon-methyl (PM) and the oxidative desulfurization of dibenzothiophene (DBT) under mild conditions. The ODS mechanism of DBT and hydrolysis mechanism of PM are proposed based on the identified degradation products by GC–MS/LC-MC, nuclear magnetic resonance and the role of the Lewis acid sites.
Significant findings
Organic linker variation significantly affected the pore size (0.83–3.68 nm), surface area (1332–1762 m2 g-1), and acid site distribution. Zr-BTC exhibited the highest Lewis acidity (0.311 mmol g-1) and defect content, achieving complete PM hydrolysis in 2.5 min and 100 % DBT removal within 30 min. Catalytic efficiency strongly correlated with Lewis acid site density modulated by the choice of linker.
{"title":"Linker-driven tuning of pore structure and acidity in Zr-MOFs for paraoxon-methyl hydrolysis and efficient oxidative desulfurization","authors":"Manh B Nguyen , Le Van Dung , Tan Le Hoang Doan , Pham Tung Son , Sanjit Nayak , Thi Hai Yen Pham , Valeska P. Ting , Huan V. Doan","doi":"10.1016/j.jtice.2025.106588","DOIUrl":"10.1016/j.jtice.2025.106588","url":null,"abstract":"<div><h3>Background</h3><div>Zirconium-based metal-organic frameworks are promising candidates for catalytic applications due to their high structural stability, tunable porosity, and acidity. However, the influence of organic linkers on their acid site distribution, pore structure, and catalytic activity, particularly in hydrolysis and oxidative desulfurization reactions, has not been fully explored.</div></div><div><h3>Methods</h3><div>A series of Zr-MOFs was synthesized using a microwave-assisted solvothermal method at 100 °C for 30 minutes, reducing reaction times by 20–50 times compared to conventional solvothermal approaches. Structural, textural properties, acidity and defect content were characterized using TEM, BET, NH<sub>3</sub>-TPD, FTIR-CD<sub>3</sub>CN, ESR and XPS. The catalytic activity was evaluated for the hydrolysis of paraoxon-methyl (PM) and the oxidative desulfurization of dibenzothiophene (DBT) under mild conditions. The ODS mechanism of DBT and hydrolysis mechanism of PM are proposed based on the identified degradation products by GC–MS/LC-MC, nuclear magnetic resonance and the role of the Lewis acid sites.</div></div><div><h3>Significant findings</h3><div>Organic linker variation significantly affected the pore size (0.83–3.68 nm), surface area (1332–1762 m<sup>2</sup> g<sup>-1</sup>), and acid site distribution. Zr-BTC exhibited the highest Lewis acidity (0.311 mmol g<sup>-1</sup>) and defect content, achieving complete PM hydrolysis in 2.5 min and 100 % DBT removal within 30 min. Catalytic efficiency strongly correlated with Lewis acid site density modulated by the choice of linker.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"182 ","pages":"Article 106588"},"PeriodicalIF":6.3,"publicationDate":"2025-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837751","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 : 2025-12-25DOI: 10.1016/j.jtice.2025.106599
Yifan Niu , Jinhao Zheng , Siyu Gong , Xian Zhou , Shaohua Ju , Xiangguang Bi , Hongbo Peng
Background
Designing cost-effective noble metal catalysts for industrial applications demands precise control over nanoparticles (NPs) size and synthesis protocols. This study focuses on optimizing low-loading (1.00 wt%) Pd/C catalysts for rosin disproportionation (RD), targeting enhanced catalytic efficiency through nanoscale synthesis control.
Methods
Three synthesis strategies (impregnation, hydrosol, and deposition-precipitation) combined with reductants (glycol, hydrazine hydrate, and NaBH4) were compared to regulate Pd NPs size. The NaBH4/Pd molar ratio (22.7), temperature (65 °C), and duration (4 h) were systematically optimized via response surface methodology (RSM). Advanced characterization (High-angle annular dark-field scanning transmission electron microscope (HR-TEM), X-ray Diffraction (XRD), specific surface area (SSA), X-ray photoelectron spectroscopy (XPS)) correlated NP size (3.42–6.88 nm) and surface valence states with catalytic performance.
Significant findings
The deposition-precipitation method with NaBH4 reduction produced relatively small Pd NPs (3.42 nm) with moderate dispersion, achieving a 52.64% dehydroabietic acid (DAA) yield and 0.10% residual abietic acid (AA), meeting LY/T 1357–2008 standards. RSM optimization further increased the DAA yield to 53.54%. A distinct inverse correlation between Pd NP size (3.42–6.88 nm) and DAA productivity highlighted the critical role of nanoscale engineering: Smaller NPs increased accessible surface Pd atoms, accelerating hydrogen transfer kinetics. This work establishes a scalable framework for industrial catalyst design by integrating nanoscale control of Pd NPs with process optimization to minimize precious metal usage while maximizing performance.
{"title":"Preparation process optimization and nanoscale size effects of low-loading Pd/C catalysts for rosin disproportionation","authors":"Yifan Niu , Jinhao Zheng , Siyu Gong , Xian Zhou , Shaohua Ju , Xiangguang Bi , Hongbo Peng","doi":"10.1016/j.jtice.2025.106599","DOIUrl":"10.1016/j.jtice.2025.106599","url":null,"abstract":"<div><h3>Background</h3><div>Designing cost-effective noble metal catalysts for industrial applications demands precise control over nanoparticles (NPs) size and synthesis protocols. This study focuses on optimizing low-loading (1.00 wt%) Pd/C catalysts for rosin disproportionation (RD), targeting enhanced catalytic efficiency through nanoscale synthesis control.</div></div><div><h3>Methods</h3><div>Three synthesis strategies (impregnation, hydrosol, and deposition-precipitation) combined with reductants (glycol, hydrazine hydrate, and NaBH<sub>4</sub>) were compared to regulate Pd NPs size. The NaBH<sub>4</sub>/Pd molar ratio (22.7), temperature (65 °C), and duration (4 h) were systematically optimized via response surface methodology (RSM). Advanced characterization (High-angle annular dark-field scanning transmission electron microscope (HR-TEM), X-ray Diffraction (XRD), specific surface area (SSA), X-ray photoelectron spectroscopy (XPS)) correlated NP size (3.42–6.88 nm) and surface valence states with catalytic performance.</div></div><div><h3>Significant findings</h3><div>The deposition-precipitation method with NaBH<sub>4</sub> reduction produced relatively small Pd NPs (3.42 nm) with moderate dispersion, achieving a 52.64% dehydroabietic acid (DAA) yield and 0.10% residual abietic acid (AA), meeting LY/T 1357–2008 standards. RSM optimization further increased the DAA yield to 53.54%. A distinct inverse correlation between Pd NP size (3.42–6.88 nm) and DAA productivity highlighted the critical role of nanoscale engineering: Smaller NPs increased accessible surface Pd atoms, accelerating hydrogen transfer kinetics. This work establishes a scalable framework for industrial catalyst design by integrating nanoscale control of Pd NPs with process optimization to minimize precious metal usage while maximizing performance.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"182 ","pages":"Article 106599"},"PeriodicalIF":6.3,"publicationDate":"2025-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837684","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 : 2025-12-24DOI: 10.1016/j.jtice.2025.106538
Samira Javadi, Davood Habibi
Background
The use of tannic acid as a green catalyst has a long history and dates back many years.
Methods
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.
Significant findings
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, Escherichia coli, and Staphylococcus aureus.
{"title":"Synthesis of the new spirocompounds by Tannic acid as a green catalyst and investigation of their antibacterial properties","authors":"Samira Javadi, 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":"2025-12-24","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}