Pub Date : 2025-12-05DOI: 10.1016/j.fuproc.2025.108376
Xiangyong Zheng , Feng Wang , Jianjiang Wang , Bo Wei , Kunpeng Liu , Shan Wang , Rui Ma , Lijuan Chen , Maierhaba Abudoureheman
Xinjiang high‑chlorine coal has abundant reserves, but its high chlorine content causes slagging, ash deposition and equipment corrosion during pyrolysis, limiting its large-scale utilization. This study investigated the effects of particle size (54–200 μm) and heating rate (10–30 °C/min) on the pyrolysis characteristics and kinetics of Shaerhu coal (SEH) using TG-DTG analysis, the Coats-Redfern method and model-free methods. SEH pyrolysis involved three stages, with weight loss peaks near 100 °C, 450 °C and 715 °C. SHE's peak mass loss rate temperature was 10–30 °C lower than other low-rank coals. Larger particles significantly increased the weight loss rate, peaking at 0.1164 %/°C for 150–200 μm. Higher heating rates shifted DTG curves upper right, reduced mass loss rates and increased thermal hysteresis. C-R method indicated that in Stage I, higher heating rates raised activation energy (E). In Stage II, particle size influenced E more than heating rate. In Stage III, larger particles had lower E (19.51–34.09 kJ·mol−1 reduction from 54–76 to 150–200 μm). Model-free methods showed consistent E trends, but generally Friedman > FWO > KAS. A notable E decrease occurred at 0.8 conversion for 54–76 μm particles, while 150–200 μm particles declined gradually from 220 kJ·mol-1 after 0.4 conversion.
{"title":"Study on the influence of particle size and heating rate on pyrolysis characteristics and kinetics of Xinjiang high-chlorine coal","authors":"Xiangyong Zheng , Feng Wang , Jianjiang Wang , Bo Wei , Kunpeng Liu , Shan Wang , Rui Ma , Lijuan Chen , Maierhaba Abudoureheman","doi":"10.1016/j.fuproc.2025.108376","DOIUrl":"10.1016/j.fuproc.2025.108376","url":null,"abstract":"<div><div>Xinjiang high‑chlorine coal has abundant reserves, but its high chlorine content causes slagging, ash deposition and equipment corrosion during pyrolysis, limiting its large-scale utilization. This study investigated the effects of particle size (54–200 μm) and heating rate (10–30 °C/min) on the pyrolysis characteristics and kinetics of Shaerhu coal (SEH) using TG-DTG analysis, the Coats-Redfern method and model-free methods. SEH pyrolysis involved three stages, with weight loss peaks near 100 °C, 450 °C and 715 °C. SHE's peak mass loss rate temperature was 10–30 °C lower than other low-rank coals. Larger particles significantly increased the weight loss rate, peaking at 0.1164 %/°C for 150–200 μm. Higher heating rates shifted DTG curves upper right, reduced mass loss rates and increased thermal hysteresis. C-R method indicated that in Stage I, higher heating rates raised activation energy (<em>E</em>). In Stage II, particle size influenced <em>E</em> more than heating rate. In Stage III, larger particles had lower <em>E</em> (19.51–34.09 kJ·mol<sup>−1</sup> reduction from 54–76 to 150–200 μm). Model-free methods showed consistent <em>E</em> trends, but generally Friedman > FWO > KAS. A notable <em>E</em> decrease occurred at 0.8 conversion for 54–76 μm particles, while 150–200 μm particles declined gradually from 220 kJ·mol<sup>-1</sup> after 0.4 conversion.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"280 ","pages":"Article 108376"},"PeriodicalIF":7.7,"publicationDate":"2025-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145681078","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Experimentally investigated stoichiometric hydrogen-air mixture detonation propagation under initial pressures from 30 kPa to 100 kPa in a T-shaped pipeline. The numerical simulation revealed the detonation wave propagation mechanism in the flame arrester chamber. The velocity and dynamic pressure were obtained as the aspect ratio (L/h) of flame-arresting elements increased from 60 to 600. The results show that detonation under initial pressure below 70 kPa will quench in L/h > 120, but re-detonation happens in L/h < 120. The detonation attenuation is enhanced with L/h increases and initial pressure decreases; the attenuation intensity increases sharply when 180 < L/h < 300 and decreases when L/h > 300. The flame passing through the flame arrester will propagate into bifurcated pipes, with attenuation in the horizontal pipe more significant than in the vertical pipe. As the L/h increases, the flame attenuation when passing the T-junction intensifies when L/h < 120 and diminishes when L/h > 180, and the flame accelerates when L/h is 60. The flame arrester's outlet velocity becomes the most significant factor determining the flame attenuation in the T-junction.
{"title":"Effects of flame arrester on H2-Air detonation under different initial pressure propagation in the T-shaped pipeline","authors":"Lianzhuo Zhang, Xiaoyang Liu, Xingqing Yan, Jianliang Yu","doi":"10.1016/j.fuproc.2025.108375","DOIUrl":"10.1016/j.fuproc.2025.108375","url":null,"abstract":"<div><div>Experimentally investigated stoichiometric hydrogen-air mixture detonation propagation under initial pressures from 30 kPa to 100 kPa in a T-shaped pipeline. The numerical simulation revealed the detonation wave propagation mechanism in the flame arrester chamber. The velocity and dynamic pressure were obtained as the aspect ratio (<em>L</em>/<em>h</em>) of flame-arresting elements increased from 60 to 600. The results show that detonation under initial pressure below 70 kPa will quench in <em>L</em>/<em>h</em> > 120, but re-detonation happens in <em>L</em>/<em>h</em> < 120. The detonation attenuation is enhanced with <em>L</em>/<em>h</em> increases and initial pressure decreases; the attenuation intensity increases sharply when 180 < <em>L/h</em> < 300 and decreases when <em>L</em>/<em>h</em> > 300. The flame passing through the flame arrester will propagate into bifurcated pipes, with attenuation in the horizontal pipe more significant than in the vertical pipe. As the <em>L/h</em> increases, the flame attenuation when passing the T-junction intensifies when <em>L/h</em> < 120 and diminishes when <em>L/h</em> > 180, and the flame accelerates when <em>L/h</em> is 60. The flame arrester's outlet velocity becomes the most significant factor determining the flame attenuation in the T-junction.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"280 ","pages":"Article 108375"},"PeriodicalIF":7.7,"publicationDate":"2025-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145681079","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This study investigates the catalytic mechanisms and performance of CexFeyO catalysts in the CO2 gasification of straw char. A series of CexFeyO catalysts were synthesized via a hydrothermal method, and systematically evaluated in a fixed-bed reactor. Physicochemical characterization revealed a four-stage phase evolution (single CeO2, CeO2-dominant, CeO2-Fe2O3 composite, and Fe2O3-dominant phases), each one with distinct electronic and structural properties directly governing gasification activity. Gasification tests demonstrated strong composition dependence, with different activity trends in the Ce-rich and Fe-rich regimes. In the Ce-rich regime, catalytic activity first increased and then declined as Fe doping rose, with Ce0.7Fe0.3 catalyst showing the highest reactivity (c(CO)/c(CO2) = 0.53). In contrast, in the Fe-rich range, Ce0.2Fe0.8 catalyst achieved the best performance (c(CO)/c(CO2) = 0.71). Further investigations showed that annealing time had little effect on catalytic activity, while NaBH4 reduction-etching improved performance at high concentrations, with 16 mL of NaBH4-treated catalyst (Ce0.8Fe0.2-16Re) demonstrating the highest activity. Residual char analyses confirms that Ce-rich catalysts promote oxygen-vacancy redox cycles leading to pore collapse, while Fe-rich catalysts rely on Fe redox cycling to induce mesopore formation. Therefore, this study elucidates the structure-activity relationship of CexFeyO catalysts and highlights defect engineering as a viable strategy for developing efficient, low-cost catalysts for solid waste gasification.
研究了cefeyo催化剂在秸秆炭CO2气化过程中的催化机理和性能。采用水热法合成了一系列cefeyo催化剂，并在固定床反应器上进行了系统评价。物理化学表征显示了四个阶段的相演化（单一CeO2相、CeO2-优势相、CeO2- fe2o3复合相和fe2o3 -优势相），每个阶段都具有不同的电子和结构性质，直接控制气化活性。气化试验显示出强烈的组分依赖性，在富ce和富fe状态下具有不同的活性趋势。在富ce区，随着Fe掺杂量的增加，催化活性先上升后下降，Ce0.7Fe0.3催化剂的反应活性最高(c（CO)/c(CO2) = 0.53）。相反，在富铁范围内，Ce0.2Fe0.8催化剂的性能最好(c（CO)/c(CO2) = 0.71）。进一步的研究表明，退火时间对催化活性影响不大，而NaBH4还原蚀刻在高浓度下提高了催化活性，其中16 mL NaBH4处理的催化剂（Ce0.8Fe0.2-16Re）表现出最高的活性。残炭分析证实富ce催化剂促进氧空位氧化还原循环导致孔隙坍塌，而富Fe催化剂则依靠Fe氧化还原循环诱导介孔形成。因此，本研究阐明了cefeyo催化剂的构效关系，并强调缺陷工程是开发高效、低成本固体废物气化催化剂的可行策略。
{"title":"CexFeyO catalysts for efficient char-CO2 gasification: Tuning oxygen vacancies and redox properties","authors":"Yinglu Zhang , Yun Hao , Weiwei Wu , Ruijie Liang , Shihao Lv , Wenran Gao , Zhiliang Wu , Yan Chen , Shu Zhang","doi":"10.1016/j.fuproc.2025.108378","DOIUrl":"10.1016/j.fuproc.2025.108378","url":null,"abstract":"<div><div>This study investigates the catalytic mechanisms and performance of Ce<sub>x</sub>Fe<sub>y</sub>O catalysts in the CO<sub>2</sub> gasification of straw char. A series of Ce<sub>x</sub>Fe<sub>y</sub>O catalysts were synthesized via a hydrothermal method, and systematically evaluated in a fixed-bed reactor. Physicochemical characterization revealed a four-stage phase evolution (single CeO<sub>2</sub>, CeO<sub>2</sub>-dominant, CeO<sub>2</sub>-Fe<sub>2</sub>O<sub>3</sub> composite, and Fe<sub>2</sub>O<sub>3</sub>-dominant phases), each one with distinct electronic and structural properties directly governing gasification activity. Gasification tests demonstrated strong composition dependence, with different activity trends in the Ce-rich and Fe-rich regimes. In the Ce-rich regime, catalytic activity first increased and then declined as Fe doping rose, with Ce<sub>0.7</sub>Fe<sub>0.3</sub> catalyst showing the highest reactivity (c(CO)/c(CO<sub>2</sub>) = 0.53). In contrast, in the Fe-rich range, Ce<sub>0.2</sub>Fe<sub>0.8</sub> catalyst achieved the best performance (c(CO)/c(CO<sub>2</sub>) = 0.71). Further investigations showed that annealing time had little effect on catalytic activity, while NaBH<sub>4</sub> reduction-etching improved performance at high concentrations, with 16 mL of NaBH<sub>4</sub>-treated catalyst (Ce<sub>0.8</sub>Fe<sub>0.2</sub>-16<sub>Re</sub>) demonstrating the highest activity. Residual char analyses confirms that Ce-rich catalysts promote oxygen-vacancy redox cycles leading to pore collapse, while Fe-rich catalysts rely on Fe redox cycling to induce mesopore formation. Therefore, this study elucidates the structure-activity relationship of Ce<sub>x</sub>Fe<sub>y</sub>O catalysts and highlights defect engineering as a viable strategy for developing efficient, low-cost catalysts for solid waste gasification.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"280 ","pages":"Article 108378"},"PeriodicalIF":7.7,"publicationDate":"2025-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145681083","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A novel imidazolium-based ionic liquid ([HC14Im]Br) and two gemini cationic surfactants with different spacers constructed based on this ionic liquid (IL) monomer, abbreviated to [HC14Im-S-HC14Im]Br2, where S represents the spacer including propane 2-bromoacetate S1 (C7H10O4Br2) and hydroxypropane 2-bromoacetate S2 (C7H10O5Br2), were designed and synthesized. The characterization results confirm the structure of obtained surfactants. The results also confirmed that both GSs have higher surface activities compared to the conventional monomeric ionic liquid. Based on the surface tension of surfactant solutions (γ) and interfacial tensions (IFTs) of crude oil/surfactant solutions (σ), the effect of the hydroxyl functional group in the spacer on CMC, the γ and γ at the CMC point, and surface activities were evaluated. The lowest CMC value with high surface activity was achieved for [HC14Im-S-HC14Im]Br2 gemini surfactant with the spacer of C7H10O5Br2 (CMC = 1.4 × 10−6 mol/L based on SFT measurement and CMC = 3.13 × 10−6 mol/L based on IFT measurement). Ultralow IFT value after CMC point (σ < 0.1 mN/m) and wettability alteration toward neutral (θ = 88° at 4.64 × 10−7 mol/L) and water-wet (θ = 55° at 1.16× 10−7 mol/L) states lead to outstanding spreading coefficient and capillary number improvements.
{"title":"Synthesis of imidazolium based gemini surfactants with ultralow critical micelle concentration for chemical enhanced oil recovery process","authors":"Ghazal Hoseintabar , Mostafa Lashkarbolooki , Turaj Behrouz","doi":"10.1016/j.fuproc.2025.108363","DOIUrl":"10.1016/j.fuproc.2025.108363","url":null,"abstract":"<div><div>A novel imidazolium-based ionic liquid ([HC<sub>14</sub>Im]Br) and two gemini cationic surfactants with different spacers constructed based on this ionic liquid (IL) monomer, abbreviated to [HC<sub>14</sub>Im-S-HC<sub>14</sub>Im]Br<sub>2</sub>, where S represents the spacer including propane 2-bromoacetate S1 (C<sub>7</sub>H<sub>10</sub>O<sub>4</sub>Br<sub>2</sub>) and hydroxypropane 2-bromoacetate S2 (C<sub>7</sub>H<sub>10</sub>O<sub>5</sub>Br<sub>2</sub>), were designed and synthesized. The characterization results confirm the structure of obtained surfactants. The results also confirmed that both GSs have higher surface activities compared to the conventional monomeric ionic liquid. Based on the surface tension of surfactant solutions (<em>γ)</em> and interfacial tensions (IFTs) of crude oil/surfactant solutions (σ), the effect of the hydroxyl functional group in the spacer on CMC, the <em>γ</em> and <em>γ</em> at the CMC point, and surface activities were evaluated. The lowest CMC value with high surface activity was achieved for [HC<sub>14</sub>Im-S-HC<sub>14</sub>Im]Br<sub>2</sub> gemini surfactant with the spacer of C<sub>7</sub>H<sub>10</sub>O<sub>5</sub>Br<sub>2</sub> (CMC = 1.4 × 10<sup>−6</sup> mol/L based on SFT measurement and CMC = 3.13 × 10<sup>−6</sup> mol/L based on IFT measurement). Ultralow IFT value after CMC point (σ < 0.1 mN/m) and wettability alteration toward neutral (θ = 88° at 4.64 × 10<sup>−7</sup> mol/L) and water-wet (θ = 55° at 1.16× 10<sup>−7</sup> mol/L) states lead to outstanding spreading coefficient and capillary number improvements.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"280 ","pages":"Article 108363"},"PeriodicalIF":7.7,"publicationDate":"2025-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145570659","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 : 2025-11-19DOI: 10.1016/j.fuproc.2025.108367
Syarif Hidayat , Jeonghun Han , Jinsoo Kim , Hyun Tae Hwang , Xinxing Zhou , Jong In Choi , Haoxing Zhang , Do-Young Hong , Jeong-Myeong Ha , Seung-Soo Kim
In this research, bis(2-hydroxyethyl) terephthalate (BHET), an essential monomer obtained from the glycolysis of PET, served as a model compound for hydrodeoxygenation (HDO) over bimetallic Pt-Sn/γ-Al2O3 catalysts within a fixed-bed reactor at atmospheric pressure. A series of catalysts with varying Pt/Sn ratios (Pt7Sn3, Pt7.5Sn2.5, Pt8Sn2, and Pt8.5Sn1.5) were prepared via incipient wetness impregnation method and extensively characterized using XRD, BET, H2-TPR, NH₃-TPD, SEM-EDX, and XPS. Among the formulations, Pt7.5Sn2.5 exhibited optimal performance, achieving complete BHET conversion (100 %) and a deoxygenation degree of 94 % at 400 °C, with high selectivity toward benzene (40.56 %), toluene (7.59 %), and ethylbenzene (45.42 %). This superior activity is attributed to the synergistic interaction between Pt and Sn, which promotes efficient CO bond cleavage while minimizing over‑hydrogenation and cracking. Temperature studies revealed 400 °C to be the most favorable temperature for hydrocarbon selectivity and minimal gas-phase carbon loss, while 5 h time on stream testing confirmed catalyst with minimal coke formation. Reaction pathway analysis showed that BHET deoxygenation proceeded via benzoic acid and benzaldehyde intermediates. This study highlights the potential of PtSn catalysts to enable the mild and efficient deoxygenation of PET-derived compounds, promoting the sustainable upcycling of polyester waste. The proposed strategy provides a scalable and practical route for the chemical recycling of PET, contributing to a circular economy in plastic waste management.
{"title":"Selective hydrodeoxygenation of BHET using bimetallic Pt–Sn/γ-Al2O3 catalysts: Catalyst design, reaction pathway, and performance evaluation","authors":"Syarif Hidayat , Jeonghun Han , Jinsoo Kim , Hyun Tae Hwang , Xinxing Zhou , Jong In Choi , Haoxing Zhang , Do-Young Hong , Jeong-Myeong Ha , Seung-Soo Kim","doi":"10.1016/j.fuproc.2025.108367","DOIUrl":"10.1016/j.fuproc.2025.108367","url":null,"abstract":"<div><div>In this research, bis(2-hydroxyethyl) terephthalate (BHET), an essential monomer obtained from the glycolysis of PET, served as a model compound for hydrodeoxygenation (HDO) over bimetallic Pt-Sn/γ-Al<sub>2</sub>O<sub>3</sub> catalysts within a fixed-bed reactor at atmospheric pressure. A series of catalysts with varying Pt/Sn ratios (Pt7Sn3, Pt7.5Sn2.5, Pt8Sn2, and Pt8.5Sn1.5) were prepared via incipient wetness impregnation method and extensively characterized using XRD, BET, H<sub>2</sub>-TPR, NH₃-TPD, SEM-EDX, and XPS. Among the formulations, Pt7.5Sn2.5 exhibited optimal performance, achieving complete BHET conversion (100 %) and a deoxygenation degree of 94 % at 400 °C, with high selectivity toward benzene (40.56 %), toluene (7.59 %), and ethylbenzene (45.42 %). This superior activity is attributed to the synergistic interaction between Pt and Sn, which promotes efficient C<img>O bond cleavage while minimizing over‑hydrogenation and cracking. Temperature studies revealed 400 °C to be the most favorable temperature for hydrocarbon selectivity and minimal gas-phase carbon loss, while 5 h time on stream testing confirmed catalyst with minimal coke formation. Reaction pathway analysis showed that BHET deoxygenation proceeded via benzoic acid and benzaldehyde intermediates. This study highlights the potential of Pt<img>Sn catalysts to enable the mild and efficient deoxygenation of PET-derived compounds, promoting the sustainable upcycling of polyester waste. The proposed strategy provides a scalable and practical route for the chemical recycling of PET, contributing to a circular economy in plastic waste management.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"280 ","pages":"Article 108367"},"PeriodicalIF":7.7,"publicationDate":"2025-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145570647","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 : 2025-11-19DOI: 10.1016/j.fuproc.2025.108365
Lorenzo da Silva Migliorin , Suliman Yousef Alomar , Yasmin Vieira , Glaydson Simões dos Reis , Sergio Luiz Jahn , Edson Luiz Foletto , Guilherme Luiz Dotto
A key challenge in fixed-bed adsorption systems is balancing high contaminant removal with long-term stability and a mechanistic understanding at the molecular level. This work demonstrates that a hierarchical MFI-type zeolite (HMFI@Z), when used in a regenerative fixed-bed column, efficiently removes cyclohexane carboxylic acid (ACHC) from petroleum-produced water under realistic conditions. Operational optimization revealed that higher feed concentrations and flow rates accelerated breakthrough and column exhaustion, with a maximum uptake of 3.44 mg g−1 under 35 mg L−1 and 10 mL min−1. Validation with real effluent yielded a removal efficiency of 58.15 %, breakthrough at 10 min, and complete saturation at 80 min. Dynamic models showed excellent agreement with experimental data, supporting the scalability of the process. The adsorbent maintained over 80 % adsorption capacity across 17 recycles, underscoring its long-term reusability. High performance was attributed to the material's surface acidity, hierarchical porosity, and stable electronic features. Quantum chemical calculations revealed that deprotonated HMFI@Z surfaces — particularly O− sites — act as the most reactive centers for ACHC binding. Key electronic descriptors corroborated the experimentally observed interactions and regeneration behavior. Two main interaction pathways were identified: (i) hydrogen bonding and electrostatic interactions dominating initial adsorption, and (ii) electron donor–acceptor mechanisms contributing to retention and stability. These results advance fundamental understanding of interaction mechanisms in zeolitic adsorption systems and highlight HMFI@Z as a recyclable, robust material for treating petroleum-derived effluents.
固定床吸附系统的一个关键挑战是平衡高污染物去除与长期稳定性和分子水平上的机制理解。这项工作证明，当在再生固定床柱中使用层次化mfi型沸石（HMFI@Z）时，在实际条件下可以有效地从采出水中去除环己烷羧酸（ACHC）。操作优化表明，较高的进料浓度和流速加速了突破和柱衰竭，在35 mg L−1和10 mL min−1条件下，最大吸收率为3.44 mg g−1。实际出水验证的去除效率为58.15%，在10分钟内突破，在80分钟内完全饱和。动态模型与实验数据吻合良好，支持了该工艺的可扩展性。该吸附剂在17次循环中保持了80%以上的吸附容量，强调了其长期可重复使用性。高性能归功于材料的表面酸度，分层孔隙率和稳定的电子特性。量子化学计算表明，去质子化HMFI@Z表面-特别是O -位点-是ACHC结合最活跃的中心。关键的电子描述证实了实验观察到的相互作用和再生行为。确定了两种主要的相互作用途径：(i)氢键和静电相互作用主导了初始吸附，以及（ii）电子供体-受体机制有助于保留和稳定性。这些结果促进了对沸石吸附系统中相互作用机制的基本理解，并强调HMFI@Z是一种可回收的、坚固的处理石油衍生废水的材料。
{"title":"Regenerative HMFI@Zeolite fixed-bed column for the treatment of petroleum-produced water: An examination of operational conditions and quantum chemical interaction mechanisms","authors":"Lorenzo da Silva Migliorin , Suliman Yousef Alomar , Yasmin Vieira , Glaydson Simões dos Reis , Sergio Luiz Jahn , Edson Luiz Foletto , Guilherme Luiz Dotto","doi":"10.1016/j.fuproc.2025.108365","DOIUrl":"10.1016/j.fuproc.2025.108365","url":null,"abstract":"<div><div>A key challenge in fixed-bed adsorption systems is balancing high contaminant removal with long-term stability and a mechanistic understanding at the molecular level. This work demonstrates that a hierarchical MFI-type zeolite (HMFI@Z), when used in a regenerative fixed-bed column, efficiently removes cyclohexane carboxylic acid (ACHC) from petroleum-produced water under realistic conditions. Operational optimization revealed that higher feed concentrations and flow rates accelerated breakthrough and column exhaustion, with a maximum uptake of 3.44 mg g<sup>−1</sup> under 35 mg L<sup>−1</sup> and 10 mL min<sup>−1</sup>. Validation with real effluent yielded a removal efficiency of 58.15 %, breakthrough at 10 min, and complete saturation at 80 min. Dynamic models showed excellent agreement with experimental data, supporting the scalability of the process. The adsorbent maintained over 80 % adsorption capacity across 17 recycles, underscoring its long-term reusability. High performance was attributed to the material's surface acidity, hierarchical porosity, and stable electronic features. Quantum chemical calculations revealed that deprotonated HMFI@Z surfaces — particularly O<sup>−</sup> sites — act as the most reactive centers for ACHC binding. Key electronic descriptors corroborated the experimentally observed interactions and regeneration behavior. Two main interaction pathways were identified: (i) hydrogen bonding and electrostatic interactions dominating initial adsorption, and (ii) electron donor–acceptor mechanisms contributing to retention and stability. These results advance fundamental understanding of interaction mechanisms in zeolitic adsorption systems and highlight HMFI@Z as a recyclable, robust material for treating petroleum-derived effluents.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"280 ","pages":"Article 108365"},"PeriodicalIF":7.7,"publicationDate":"2025-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145570564","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 : 2025-11-18DOI: 10.1016/j.fuproc.2025.108368
Jakub Lachman, Marek Baláš, Martin Lisý, Tereza Zlevorová, Hana Lisá
The inorganic matter of solid biofuels can be categorized into three different ash types: type-S (Si, Al, Fe, Ti), type-K (K, Na, P, Cl, S) and type-C (Ca, Mg, Mn). A total of 9 different biofuels (3 for each ash type) has been analyzed and then combusted in a 25 kW grate fired boiler. Emission factors and partitioning of typical particle forming elements (Ca, K, Na, P and Zn) were determined and show a strong correlation (R2 = 0.88) with their content in the feedstock. Additionally, gaseous emissions, particle size distribution and emission factors of other major and trace elements were also established. The total ash content of the tested biofuels varied from 0.4 % for spruce up to 32.9 % for paper, however most fuels contained between 5 and 10 %. The emission factors show that the most prevalent element in the flue gas was K (generally contributing over 25 % to total particulate emissions). The release of K into the flue gas varied, with type-K fuels reaching values over 10 %, while type-S fuels only around 6 %, most likely due to the formation of refractory aluminosilicate phases. Moreover, with growing K release, the particle size distribution gradually shifted from 0.14 up to 0.59 μm.
{"title":"Inorganic matter partitioning in boilers with grate burners and rated output below 25 kW: Ash type and particle forming elements","authors":"Jakub Lachman, Marek Baláš, Martin Lisý, Tereza Zlevorová, Hana Lisá","doi":"10.1016/j.fuproc.2025.108368","DOIUrl":"10.1016/j.fuproc.2025.108368","url":null,"abstract":"<div><div>The inorganic matter of solid biofuels can be categorized into three different ash types: type-S (Si, Al, Fe, Ti), type-K (K, Na, P, Cl, S) and type-C (Ca, Mg, Mn). A total of 9 different biofuels (3 for each ash type) has been analyzed and then combusted in a 25 kW grate fired boiler. Emission factors and partitioning of typical particle forming elements (Ca, K, Na, P and Zn) were determined and show a strong correlation (R<sup>2</sup> = 0.88) with their content in the feedstock. Additionally, gaseous emissions, particle size distribution and emission factors of other major and trace elements were also established. The total ash content of the tested biofuels varied from 0.4 % for spruce up to 32.9 % for paper, however most fuels contained between 5 and 10 %. The emission factors show that the most prevalent element in the flue gas was K (generally contributing over 25 % to total particulate emissions). The release of K into the flue gas varied, with type-K fuels reaching values over 10 %, while type-S fuels only around 6 %, most likely due to the formation of refractory aluminosilicate phases. Moreover, with growing K release, the particle size distribution gradually shifted from 0.14 up to 0.59 μm.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"280 ","pages":"Article 108368"},"PeriodicalIF":7.7,"publicationDate":"2025-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145570565","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 : 2025-11-17DOI: 10.1016/j.fuproc.2025.108366
Yingjie Fan , Hao Wu , Tao Rong , Wenguo Liu , Huafang Yu , Jingsong Wang , Qingguo Xue , Mingyong Wang , Haibin Zuo
Coke, as the core skeletal material, plays an irreplaceable role in blast furnace ironmaking; however, the structural degradation mechanisms under alkali metal (K/Na) adsorption conditions remain controversial. This study systematically reveals the deterioration mechanism of alkali-induced coke through adsorption experiments conducted in simulated blast furnace conditions, combined with multi-scale characterization techniques (ICP, XRD, CT, Raman, FTIR, SEM, and DFT). Results demonstrate that K induces more significant lattice distortion as its larger ionic radius, resulting in a 14.6 % reduction in crystallite size. Alkali metals adsorption increases porosity by 15 %, and K dominates the formation of medium/large pores through fragmentation of high-density matrices, whereas Na primarily enhances surface roughness. The catalytic effects accelerate sp3 → sp2 transformation, promoting aromatization and hydroxyl network formation while inhibiting small carbon molecule restructuring. K shifts the p-band center upward by 2.24 eV through a strong charge transfer, reducing the energy barrier of CO₂ gasification by 34 %. This behavior of K exhibits significantly higher catalytic activity than Na. K and Na demonstrate a competitive pattern between K-priority adsorption and Na-dominated destruction without synergistic effects. These findings provide atomic-scale theoretical support for coke quality control and alkali hazard mitigation in modern high-coal-ratio blast furnaces.
{"title":"The degradation mechanism analysis of alkali metal adsorption-induced coke","authors":"Yingjie Fan , Hao Wu , Tao Rong , Wenguo Liu , Huafang Yu , Jingsong Wang , Qingguo Xue , Mingyong Wang , Haibin Zuo","doi":"10.1016/j.fuproc.2025.108366","DOIUrl":"10.1016/j.fuproc.2025.108366","url":null,"abstract":"<div><div>Coke, as the core skeletal material, plays an irreplaceable role in blast furnace ironmaking; however, the structural degradation mechanisms under alkali metal (K/Na) adsorption conditions remain controversial. This study systematically reveals the deterioration mechanism of alkali-induced coke through adsorption experiments conducted in simulated blast furnace conditions, combined with multi-scale characterization techniques (ICP, XRD, CT, Raman, FTIR, SEM, and DFT). Results demonstrate that K induces more significant lattice distortion as its larger ionic radius, resulting in a 14.6 % reduction in crystallite size. Alkali metals adsorption increases porosity by 15 %, and K dominates the formation of medium/large pores through fragmentation of high-density matrices, whereas Na primarily enhances surface roughness. The catalytic effects accelerate sp<sup>3</sup> → sp<sup>2</sup> transformation, promoting aromatization and hydroxyl network formation while inhibiting small carbon molecule restructuring. K shifts the p-band center upward by 2.24 eV through a strong charge transfer, reducing the energy barrier of CO₂ gasification by 34 %. This behavior of K exhibits significantly higher catalytic activity than Na. K and Na demonstrate a competitive pattern between K-priority adsorption and Na-dominated destruction without synergistic effects. These findings provide atomic-scale theoretical support for coke quality control and alkali hazard mitigation in modern high-coal-ratio blast furnaces.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"280 ","pages":"Article 108366"},"PeriodicalIF":7.7,"publicationDate":"2025-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145570660","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 : 2025-11-16DOI: 10.1016/j.fuproc.2025.108362
Pietropaolo Morrone , Giuseppe Basile , Diego Perrone , Alessia Anoja , Luigi Falbo , Angelo Algieri , Giuseppe Prenesti , Alessio Caravella
This study presents an energy and techno-economic analysis of a biomass-fired cogeneration system consisting of a 38 kWe internal combustion engine and a biomass gasifier. A numerical model is developed to characterize the gasifier-engine system. Detailed thermodynamic sub-models for the biomass gasification reactor and for the internal combustion engine are implemented. After validation, a comprehensive analysis of the CHP (Combined Heat and Power) performance parameters is carried out under various operating conditions. The optimal configurations are identified in terms of gasifier equivalent ratio, optimal engine spark ignition advance, overall energy performance, and Primary Energy Saving index. The techno-economic analysis includes three scenarios: the baseline, in which the costs are actualized on 2019, and additional two cases with +25 % and + 50 % of energy cost increases to account for the current world geopolitical situation and analyze the sensitivity of the obtained results to cost variation. Furthermore, two functioning strategies are considered: the ON strategy, in which the system operates continuously at nominal conditions, and the ON-OFF one, in which the system is switched off during low-demand periods. The former is found to be less economically convenient, whereas the latter is proven to be economically viable. The selected optimal configuration achieved a 22.33 % Primary Energy Saving index. Furthermore, the electric and thermal efficiency are 23 % and 63 %, respectively, reaching 86 % total efficiency. Finally, the discounted payback period ranges from 4.7 to 5.9 years across the three scenarios, maintaining economic viability despite rising energy costs. Overall, our investigation provides an efficient and greener solution to exploit energy production systems based on internal combustion, contributing to a more sustainable energy transition to carbon-free technologies.
{"title":"Techno-economic analysis of cogeneration systems based on internal-combustion engines fueled with syngas from biomass gasification","authors":"Pietropaolo Morrone , Giuseppe Basile , Diego Perrone , Alessia Anoja , Luigi Falbo , Angelo Algieri , Giuseppe Prenesti , Alessio Caravella","doi":"10.1016/j.fuproc.2025.108362","DOIUrl":"10.1016/j.fuproc.2025.108362","url":null,"abstract":"<div><div>This study presents an energy and techno-economic analysis of a biomass-fired cogeneration system consisting of a 38 kWe internal combustion engine and a biomass gasifier. A numerical model is developed to characterize the gasifier-engine system. Detailed thermodynamic sub-models for the biomass gasification reactor and for the internal combustion engine are implemented. After validation, a comprehensive analysis of the CHP (Combined Heat and Power) performance parameters is carried out under various operating conditions. The optimal configurations are identified in terms of gasifier equivalent ratio, optimal engine spark ignition advance, overall energy performance, and Primary Energy Saving index. The techno-economic analysis includes three scenarios: the baseline, in which the costs are actualized on 2019, and additional two cases with +25 % and + 50 % of energy cost increases to account for the current world geopolitical situation and analyze the sensitivity of the obtained results to cost variation. Furthermore, two functioning strategies are considered: the ON strategy, in which the system operates continuously at nominal conditions, and the ON-OFF one, in which the system is switched off during low-demand periods. The former is found to be less economically convenient, whereas the latter is proven to be economically viable. The selected optimal configuration achieved a 22.33 % Primary Energy Saving index. Furthermore, the electric and thermal efficiency are 23 % and 63 %, respectively, reaching 86 % total efficiency. Finally, the discounted payback period ranges from 4.7 to 5.9 years across the three scenarios, maintaining economic viability despite rising energy costs. Overall, our investigation provides an efficient and greener solution to exploit energy production systems based on internal combustion, contributing to a more sustainable energy transition to carbon-free technologies.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"280 ","pages":"Article 108362"},"PeriodicalIF":7.7,"publicationDate":"2025-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145570566","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 : 2025-11-14DOI: 10.1016/j.fuproc.2025.108359
Niklas Netsch, Luca Weigel, Tim Schmedding, Michael Zeller, Britta Bergfeldt, Grazyna Straczewski, Salar Tavakkol, Dieter Stapf
Pyrolysis oils are the crucial link between waste and chemicals in plastic recycling via pyrolysis. Oils from mixed plastic waste pyrolysis are complex mixtures of organic compounds typically containing impurities of nitrogen, oxygen, and chlorine. Therefore, their characterization is challenging. This study presents a tailored two-dimensional gas chromatography method supporting in-depth analysis of the chemical composition. It covers a boiling range from the naphtha cut to the middle distillate. These fractions represent the preferred feedstocks to be substituted by plastic pyrolysis oils in the future. The oil characterization is complemented by elemental analyses, nuclear magnetic resonance spectroscopy, and simulated distillation. The enhanced separation by two-dimensional chromatography results in significantly higher resolution than conventional one-dimensional methods. The most relevant oil compounds can be clustered, distinguished, and quantified based on compound grouping. Depending on the boiling range of the pyrolysis oils, 77 wt% to 96 wt% of the sample composition can be elucidated. Detecting main heteroatom-containing species such as benzoic acid, ε-caprolactam, acetophenone, and various aromatic nitriles provides detailed information for further pyrolysis oil utilization. The combination of the developed method with common analyses offers an advanced approach to evaluate the reintegration of contaminated mixed plastics oils into existing petrochemical value chains.
{"title":"Chemical characterization of mixed plastic pyrolysis oils relevant for cracker reintegration by advanced two-dimensional gas chromatography","authors":"Niklas Netsch, Luca Weigel, Tim Schmedding, Michael Zeller, Britta Bergfeldt, Grazyna Straczewski, Salar Tavakkol, Dieter Stapf","doi":"10.1016/j.fuproc.2025.108359","DOIUrl":"10.1016/j.fuproc.2025.108359","url":null,"abstract":"<div><div>Pyrolysis oils are the crucial link between waste and chemicals in plastic recycling via pyrolysis. Oils from mixed plastic waste pyrolysis are complex mixtures of organic compounds typically containing impurities of nitrogen, oxygen, and chlorine. Therefore, their characterization is challenging. This study presents a tailored two-dimensional gas chromatography method supporting in-depth analysis of the chemical composition. It covers a boiling range from the naphtha cut to the middle distillate. These fractions represent the preferred feedstocks to be substituted by plastic pyrolysis oils in the future. The oil characterization is complemented by elemental analyses, nuclear magnetic resonance spectroscopy, and simulated distillation. The enhanced separation by two-dimensional chromatography results in significantly higher resolution than conventional one-dimensional methods. The most relevant oil compounds can be clustered, distinguished, and quantified based on compound grouping. Depending on the boiling range of the pyrolysis oils, 77 wt% to 96 wt% of the sample composition can be elucidated. Detecting main heteroatom-containing species such as benzoic acid, ε-caprolactam, acetophenone, and various aromatic nitriles provides detailed information for further pyrolysis oil utilization. The combination of the developed method with common analyses offers an advanced approach to evaluate the reintegration of contaminated mixed plastics oils into existing petrochemical value chains.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"280 ","pages":"Article 108359"},"PeriodicalIF":7.7,"publicationDate":"2025-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145499637","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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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