{"title":"Adsorption performance and mechanism of polyamidoxime-coated glucose derived biochar for separation of uranium from nuclear wastewater","authors":"Jiqing Zhang, Ying Jia, Yuanzheng Huang, Guofeng Jin, Ruomeng Hou","doi":"10.1016/j.jtice.2025.106408","DOIUrl":"10.1016/j.jtice.2025.106408","url":null,"abstract":"<div><h3>Background</h3><div>Efficient removal of uranium from uranium-containing nuclear wastewater is of great significance for national defense security and environmental protection.</div></div><div><h3>Methods</h3><div>We synthesized a polyamidoxime-coated glucose-derived biochar (GC-PAO) adsorbent and systematically investigated its adsorption mechanism using Scanning electron microscopy (SEM), Brunauer-Emmett-Teller (BET), Fourier-transform infrared spectroscopy (FTIR), Raman spectroscopy (Raman), Synchronous thermal analyzer (STA) and X-ray photoelectron spectroscopy (XPS).</div></div><div><h3>Significant findings</h3><div>The optimized adsorbent, GC-850/3.6-PAO, has a pore structure suitable for adsorption with a high content of amidoxime functional groups through careful selection of the carbonization precursor, chemical catalyst and pyrolysis temperature. By adsorption experiments at pH = 6, the maximum adsorption by GC-850/3.6-PAO adsorbent in 32 ppm uranium spiked solution was 565.36 mg·g<sup>-1</sup>. Meanwhile, GC-PAO also has good reusability. The adsorption capacity of Uranium (VI) remained at 402.63 mg·g<sup>-1</sup> after 5 repetitions. Kinetics, thermodynamics and XPS research revealed the surface complexation mechanism between the uranium (VI) ions and the amidoxime groups. It has demonstrated good adsorption capacity in simulated nuclear wastewater containing various ions. Under the enhancement of photothermal effect, the uranium adsorption capacity of GC-PAO for nuclear wastewater reached 512.96 mg·g<sup>-1</sup> within 4 h. Therefore, the GC-PAO composite adsorbent can be considered as a potential candidate for the treatment of radioactive nuclear wastewater.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"178 ","pages":"Article 106408"},"PeriodicalIF":6.3,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145095558","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}
K. Chopra , A.K. Pandey , Anas Islam , Reji Kumar Rajamony , Muhamad Mansor , V.V. Tyagi
{"title":"Enhancing charging/discharging performance of solar-assisted water heater integrated with stearic acid/expanded graphite as form-stable phase change material","authors":"K. Chopra , A.K. Pandey , Anas Islam , Reji Kumar Rajamony , Muhamad Mansor , V.V. Tyagi","doi":"10.1016/j.jtice.2025.106406","DOIUrl":"10.1016/j.jtice.2025.106406","url":null,"abstract":"<div><h3>Background</h3><div>Stearic acid (SA) among organic phase change materials (PCMs) is in high demand due to its high latent heat, suitable melting temperature range, chemical stability, non-toxicity, and cost-effectiveness. However, the practical application of SA, similar to organic PCMs, is hindered due to low thermal conductivity and leakage during phase transitions. These shortcomings reduce heat transfer efficiency, increase system complexity, and cost.</div></div><div><h3>Methods</h3><div>The present research aims to develop a form-stable stearic acid (FOS-SA) composite as a heat storage material. The composite was characterized for thermal conductivity, FTIR, TGA, and DSC before and after 500 thermal cycling treatments to reveal its stable chemical/thermal properties and their long-term utilization. Furthermore, for its practical utilization, the developed composite was then integrated into a packed bed solar water heater (PBD-SWH), and its thermal performance was compared against pure SA at flow rates of 12, 16, and 20 L/h.</div></div><div><h3>Significant Findings</h3><div>The composite was characterized for thermal conductivity, demonstrating a 345 % enhancement. FTIR confirmed physical interaction between SA and expanded graphite (EG) without chemical alteration, and TGA validated strong thermal stability, whereas DSC revealed its stable thermal characteristics. The developed composite also exhibits favourable results when it has undergone 500 thermal cycling treatments, confirming its reliability for long-term utilization. The results revealed that FOS-SA reduced charging and discharging times by 11–17 % and 17–26 % respectively, and indicated that 20 L/h is the most effective in enhancing the thermal performance of PB-SWH. This research demonstrates, for the first time, the effective integration of FOS-SA into a PB-SWH. The findings establish FOS-SA as a viable and high-performance candidate, not only addressing leakage and low thermal conductivity issues but also substantially improving the system's thermal performance.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"178 ","pages":"Article 106406"},"PeriodicalIF":6.3,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145095557","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}
Jun-Feng Lu , Huan Wang , Yi Zhou , Xue-Ying Mao , Xiao-Qian Feng , Shuang Wang , Yong-Hua Zhao
{"title":"Degradation of rhodamine B by fenton-like system with Fe-Cu/HZSM-5 catalyst","authors":"Jun-Feng Lu , Huan Wang , Yi Zhou , Xue-Ying Mao , Xiao-Qian Feng , Shuang Wang , Yong-Hua Zhao","doi":"10.1016/j.jtice.2025.106412","DOIUrl":"10.1016/j.jtice.2025.106412","url":null,"abstract":"<div><h3>Background</h3><div>Rhodamine B (RhB) poses a significant threat to aquatic ecosystems. While Fenton oxidation process is promising approach for RhB degradation, the conventional Fenton reaction has the narrow pH range and poor reusability. To overcome these, this study developed Fenton-like system with Fe-Cu/HZSM-5 catalyst for effective RhB degradation.</div></div><div><h3>Methods</h3><div>A series of Fe<sub>x</sub>Cu<sub>5-x</sub>/HZSM-5 catalysts (x represents the molar ratio of Fe to Cu) were prepared by impregnation. These catalysts were integrated with H<sub>2</sub>O<sub>2</sub> to construct Fenton-like system for the degradation of RhB. The catalysts were characterized by XRD, NH<sub>3</sub>-TPD, XPS, FT-IR, and N<sub>2</sub> adsorption-desorption at low temperature techniques.</div></div><div><h3>Significant findings</h3><div>Among the tested catalysts, Fe<sub>3</sub>Cu<sub>2</sub>/HZSM-5 exhibited optimal performance, achieving near-complete RhB degradation (∼100%) under the condition of 45 °C, 5.3 mM/L H<sub>2</sub>O<sub>2</sub>, 3.0 g/L catalyst dosage, and broad pH range (2–5). Mechanistic studies confirmed that hydroxyl radicals (·OH) were the primary oxidants responsible for RhB degradation in Fenton-like system. Under ·OH attacking, RhB underwent a series of reactions such as N-deethylation and disruption of the conjugated structure and was eventually mineralized into CO<sub>2</sub> and H<sub>2</sub>O. Overall, a novel Fe-Cu/HZSM-5 catalyst was developed to address the limitations of the traditional Fenton reaction, providing valuable insights for future research in this field.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"178 ","pages":"Article 106412"},"PeriodicalIF":6.3,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145095559","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":"Cellulose based pH-responsive smart membrane for selective removal of oil and water","authors":"Jhao-Wei Li , Chang-Mou Wu , Shamik Chaudhuri","doi":"10.1016/j.jtice.2025.106411","DOIUrl":"10.1016/j.jtice.2025.106411","url":null,"abstract":"<div><h3>Background</h3><div>Removal of oil and organic compounds from industrial wastewater is of great importance to environmental pollution control. However, efficient, simple and cost-effective separation of such pollutants from water is still challenging.</div></div><div><h3>Methods</h3><div>A cellulose-based pH-responsive smart membrane with excellent reversible wettability was developed. Cellulose membrane was coated with polydopamine (PDA) to introduce the reactive sites for further modification. Dimethylaminopropylamine (DMAPA) and octadecylamine (ODA) were selected as pH-responsive and hydrophobic materials, respectively.</div></div><div><h3>Significant findings</h3><div>The modified cellulose membrane switches surface wettability between hydrophobic under neutral condition and hydrophilic in acidic environment (pH 2). Therefore, this cellulose membrane has great applicability to selectively remove oil or water according to the pH of water. The membrane exhibited high separation efficiency of 99 % in both cases. The membrane also absorbed the oil in water and desorbed it while immersing in acid (pH 2) presenting the “self-cleaning” ability. Such a smart membrane has significant potential in oil-water separation.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"178 ","pages":"Article 106411"},"PeriodicalIF":6.3,"publicationDate":"2025-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145095508","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}
Yin-Hsuan Chang , Ming-Chung Wu , Ting-Han Lin , Jia-Mao Chang , Yu-Ching Huang , Jer-Chyi Wang
{"title":"Self-precipitated metal-doped titanate nanofiber substrates for surface-enhanced Raman scattering of organic analytes","authors":"Yin-Hsuan Chang , Ming-Chung Wu , Ting-Han Lin , Jia-Mao Chang , Yu-Ching Huang , Jer-Chyi Wang","doi":"10.1016/j.jtice.2025.106396","DOIUrl":"10.1016/j.jtice.2025.106396","url":null,"abstract":"<div><h3>Background</h3><div>Surface-enhanced Raman scattering (SERS) has emerged as a powerful technique for trace-level detection by leveraging localized surface plasmon resonance (LSPR) to amplify weak Raman signals. Although noble metal-modified TiO<sub>2</sub> shows great potential as a SERS substrate, conventional modification methods such as photodeposition and wet chemistry are often time-consuming, costly, and multi-step. We developed a straightforward hydrothermal synthesis to fabricate Au-doped titanate nanofibers with in-situ self-precipitated Au nanoparticles to overcome these limitations. This method offers a scalable and efficient platform for enhancing SERS performance broadly applicable to environmental and industrial pollutant monitoring.</div></div><div><h3>Methods</h3><div>Various titanate nanofibers with different incorporated metal ions were synthesized via a hydrothermal method. Self-precipitated Au nanoparticles are uniformly integrated onto sodium titanate fibers to enhance surface plasmon resonance behavior. Comprehensive characterization, including synchrotron X-ray diffraction, XPS, UV–Vis, Raman spectroscopy, and photo-assisted Kelvin probe force microscopy (photo-KPFM) are employed to confirm successful nanoparticle integration and assess plasmonic enhancement.</div></div><div><h3>Significant findings</h3><div>The Au doped titanate substrate demonstrates superior SERS performance, achieving an analytical enhancement factor (AEF) of 185,000 for methylene blue detection at concentrations as low as 3.0 × 10<sup>−9</sup> g/cm<sup>2</sup>. The findings establish Au-doped titanate nanofibers as a scalable, sensitive platform for organic pollutant detection with potential applications in environmental monitoring and analytical sensing.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"178 ","pages":"Article 106396"},"PeriodicalIF":6.3,"publicationDate":"2025-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145095560","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}
Ragurethinam Shanmugam , Shen-Ming Chen , Seong-Cheol Kim , Krishnapandi Alagumalai , A. Aldossari
{"title":"Solvent-assisted iron oxide nanoparticles for selective electrochemical detection of chlorogenic acid in real samples","authors":"Ragurethinam Shanmugam , Shen-Ming Chen , Seong-Cheol Kim , Krishnapandi Alagumalai , A. Aldossari","doi":"10.1016/j.jtice.2025.106378","DOIUrl":"10.1016/j.jtice.2025.106378","url":null,"abstract":"<div><h3>Backgrounds</h3><div>Iron oxide (α-Fe<sub>2</sub>O<sub>3</sub>, hematite) is a widely available, cost-effective, and highly stable p-type semiconductor with significant potential for various applications. Due to its excellent electrochemical properties, hematite has been extensively employed in detecting toxic pollutants. However, optimizing its synthesis conditions can enhance its electrocatalytic efficiency, making it a promising material for electrochemical sensing applications.</div></div><div><h3>Methods</h3><div>Hematite (α-Fe₂O₃) nanoparticles were synthesized using a solvothermal method by varying solvents. The structural and morphological properties were characterized using PXRD, FT-IR, BET, XPS, FE-SEM, and HR-TEM techniques. Electrochemical performance was evaluated using cyclic voltammetry (CV) and square wave voltammetry (SWV), while the analysis of electron transfer kinetics was conducted <em>via</em> electrochemical impedance spectroscopy (EIS). The Fe₂O₃-E (Iron oxide prepared using ethanol as solvent) modified GCE (glassy carbon electrode) sensor was then tested for chlorogenic acid (CGA) detection under optimized conditions.</div></div><div><h3>Significance</h3><div>The developed Fe₂O₃-E modified GCE sensor exhibited outstanding electrocatalytic activity for CGA detection, demonstrating a low detection limit (0.0066 µM) and a wide linear range (0.05–668 µM). It showed excellent selectivity despite potential interferences and maintained high stability. Furthermore, the sensor successfully detected CGA in human fluids (blood) and food samples (coffee beans, carrots, and tea) with satisfactory recoveries. Its integration with screen-printed carbon electrodes (SPCE) highlights its potential for real-time, portable sensing applications in biological and environmental analysis.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"178 ","pages":"Article 106378"},"PeriodicalIF":6.3,"publicationDate":"2025-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145095561","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}
Jo-Chi Hung , Priskila A. Diankristanti , Kuan-Chu Wu , Chung-Huan Wu , Chung-Wei Kung , Po-Ting Chen , Huey-Jen Jenny Su , Chen-Chieh Liao , Jo-Shu Chang , I-Son Ng
{"title":"Enhancing biomass and lipid production in Chlorella sorokiniana via magnesium metal-organic framework of Mg-MOF-74","authors":"Jo-Chi Hung , Priskila A. Diankristanti , Kuan-Chu Wu , Chung-Huan Wu , Chung-Wei Kung , Po-Ting Chen , Huey-Jen Jenny Su , Chen-Chieh Liao , Jo-Shu Chang , I-Son Ng","doi":"10.1016/j.jtice.2025.106405","DOIUrl":"10.1016/j.jtice.2025.106405","url":null,"abstract":"<div><h3>Background</h3><div><strong>:</strong> Metal–organic frameworks (MOFs) offer promising avenues for enhancing CO₂ biofixation in microalgae by enabling the controlled release of essential cofactors. In this study, we investigate the use of magnesium-based MOF, Mg-MOF-74, as a functional nutrient modulator to influence microalgal growth dynamics and biochemical productivity. Mg-MOF-74 is constructed from magnesium nodes and 2,5-dihydroxyterephthalic acid linkers, and decomposed during the microalgal cultivation, leading to the gradual release of both magnesium ions and linkers.</div></div><div><h3>Methods</h3><div><strong>:</strong> A domestic microalgal strain, <em>Chlorella sorokiniana</em> BSL, was cultured under varying conditions, including nitrogen sources and light intensity to determine the optimal concentration of Mg-MOF-74. The biomass yield, as well as starch, protein, and lipid contents, were assessed under controlled photobioreactor settings. Additionally, Mg-MOF-74 was characterized both before and after its application to evaluate structural changes and nutrient release profiles during cultivation.</div></div><div><h3>Significant findings</h3><div><strong>:</strong> Nitrogen is critical for algal culture where the highest biomass of strain BSL was achieved using urea as the nitrogen source, up to 3.36 g/L that is ra 1.3-fold improvement over ammonium. Supplementation with 50 ppm Mg-MOF-74 under 1 % CO₂ led to a 14.4 % increase in biomass and a 2.39-fold enhancement in lipid accumulation compared to untreated controls. Compared to the addition of magnesium salt or the organic linker (H₄DOBDC) alone, Mg-MOF-74 provided a more balanced and sustained release of nutrients. This controlled decomposition enhanced carbon partitioning and promoted a favorable biochemical profile. As a result, MOF-assisted nutrient delivery can fine-tune cofactor availability, improve photosynthetic efficiency, and ultimately support the production of high-value bioproducts in microalgal systems.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"178 ","pages":"Article 106405"},"PeriodicalIF":6.3,"publicationDate":"2025-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145060039","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":"Constructing strong built-in high optical absorption in CaTiO3 perovskite with CuO heterojunction for enhanced solar-driven photocatalytic degradation of 2-chlorophenol in water","authors":"M.S Lawan , Rajeev Kumar , M.A. Barakat","doi":"10.1016/j.jtice.2025.106387","DOIUrl":"10.1016/j.jtice.2025.106387","url":null,"abstract":"<div><div>Enhancing the optical absorption ability and interfacial charge separation efficiency of perovskites signifies a potential strategy for boosting their photocatalytic activity. Calcium titanate-based perovskite is one of the most widely used nanomaterial photocatalysts. However, it is usually affected by a major limitation of large band gap energy, making it only photochemically active within ultraviolet light regions.</div><div><strong>Methods</strong>: Herein, the successful construction of CuO/CaTiO<sub>3</sub> heterojunction by combining two semiconductors with distinct semiconducting properties from tetragon and hexagonal sheets of CaTiO<sub>3</sub> obtained by hydrothermal, followed by fabrication of CuO/CaTiO<sub>3</sub> photocatalyst composite for the degradation of 2-chlorophenol under sunlight irradiation, was reported. Various stoichiometric ratio of the composite was synthesized by changing the amount of CuO to optimize the best-performing photocatalyst.</div><div><strong>Significant Findings</strong>: The characterization data of the as-prepared CuO/CaTiO<sub>3</sub> confirms the successful integration of CuO into the CaTiO<sub>3</sub> crystal lattice, which enhanced its visible light absorption ability and reduction in band gap energy from 3.53 eV to 2.71 eV. About four times higher photodegradation efficiency (99.28 %) was achieved after 4 h irradiation time, and the photocatalyst showed good chemical stability even after 5 application cycles. Hence, this research study highlights the potential for constructing a photocatalyst heterostructure as a viable strategy for modifying the photocatalytic properties of CaTiO<sub>3</sub> perovskite.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"178 ","pages":"Article 106387"},"PeriodicalIF":6.3,"publicationDate":"2025-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145060040","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":"Zigzag shaped fin effectiveness on the melting process in PCM integrated mixing channels and ANFIS based performance estimation","authors":"Fatih Selimefendigil , Hakan F. Oztop","doi":"10.1016/j.jtice.2025.106384","DOIUrl":"10.1016/j.jtice.2025.106384","url":null,"abstract":"<div><h3>Background:</h3><div>In many energy systems, performance enhancement of PCM-mounted systems with various fin designs and channel arrangements becomes crucial. In this study, effects of using zigzag shaped fins on melting of encapsulated PCM installed in a mixing chamber under forced convection for different inlet-outlet port cases and in various flow configurations are analyzed.</div></div><div><h3>Methods:</h3><div>Using the finite element method, the effects of the following on the flow field, temperature field, and melt fraction are examined: The mixing streams’ flow rate ratio, fin size, fin number, wavy fin non-dimensional amplitude, and wavy fin wave number. The estimation of melt fraction dynamics is done using a modeling approach based on ANFIS.</div></div><div><h3>Significant Findings:</h3><div>In comparison to the lowest FRR configuration, melting time decreases by 38.8% and 43.4% in the flat and zigzag fin scenarios with the highest FRR. When comparing the maximum and lowest fin lengths with <span><math><mrow><msub><mrow><mi>N</mi></mrow><mrow><mi>f</mi></mrow></msub><mo>=</mo><mn>4</mn></mrow></math></span>, the melting time for the flat and zigzag fins drops by 19.6% and 14.6%, respectively. The amount of melt fraction is increased by aligning the intake ports orthogonally. Considering the opposing inlets and outputs of the mixing chamber, the worst configuration for melt dynamics is achieved. Using a modeling approach based on ANFIS, melt fraction dynamics is successfully estimated.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"178 ","pages":"Article 106384"},"PeriodicalIF":6.3,"publicationDate":"2025-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145045058","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}
Na Li , Jiancheng Hong , Meilin Zhu , Caizhu Liu , Shu Yan , Huining Wan , Jianbo Wu , Yuhua Wu , Hui Zhang , Hongcun Bai
{"title":"Molecular structure-driven mechanistic insights into the thermally inert refining processes for anthracite conversion","authors":"Na Li , Jiancheng Hong , Meilin Zhu , Caizhu Liu , Shu Yan , Huining Wan , Jianbo Wu , Yuhua Wu , Hui Zhang , Hongcun Bai","doi":"10.1016/j.jtice.2025.106393","DOIUrl":"10.1016/j.jtice.2025.106393","url":null,"abstract":"<div><h3>Background</h3><div>Anthracite, characterized by its high structural order and carbon content, offers unique potential for fabrication of advanced carbon materials. However, the molecular mechanisms governing its thermally inert refining processes (TIRP) remain unclear, particularly the dynamic evolution of polyaromatic networks and C<img>C/C—X bonds cleavage-reorganization during thermal treatment.</div></div><div><h3>Methods</h3><div>This study investigates Rujigou anthracite from Ningxia, China through an integrated approach combining material characterization, controlled thermal treatment experiments, and molecular modeling calculations.</div></div><div><h3>Significant Findings</h3><div>Accurately reproduced the ordered 3D configuration, carbonization behavior, and oriented aromatic stacking of RJG-OM during TIRP at the atomic scale. Integrated micro/macro-scale analysis revealed a three-stage TIRP mechanism: bond cleavage without new fragments below 330 °C; aromatic collapse and carbon rearrangement at 330∼810 °C; volatile release and aromatic expansion dominating skeleton reorganization above 810 °C. Heteroatom removal involved triphase C=O evolution N-6→N-5 conversion. The release of oxygen from C=O primarily occurs through decarboxylation-induced growth, pyrolysis equilibrium, and high-temperature restructuring. The transformation of nitrogen-containing heterocycles from N-6 to N-5 follows a hydrogenation-ring opening-reconstruction pathway, accompanied by a nearly linear increase in N-5 content and a synchronous decrease in N-6/NOx levels.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"178 ","pages":"Article 106393"},"PeriodicalIF":6.3,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145045139","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}