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Effects of NH3 addition on the combustion characteristics of laminar premixed CH4–NH3 flame in the wall vicinity NH3添加量对CH4-NH3层流预混火焰近壁燃烧特性的影响
IF 7.5 1区 工程技术
Fuel Pub Date : 2025-10-06 DOI: 10.1016/j.fuel.2025.137056
Lin Liu , Wenwen Wang , Yajie Pang , Shitao Zhi , Zhilong Wei , Haisheng Zhen
{"title":"Effects of NH3 addition on the combustion characteristics of laminar premixed CH4–NH3 flame in the wall vicinity","authors":"Lin Liu ,&nbsp;Wenwen Wang ,&nbsp;Yajie Pang ,&nbsp;Shitao Zhi ,&nbsp;Zhilong Wei ,&nbsp;Haisheng Zhen","doi":"10.1016/j.fuel.2025.137056","DOIUrl":"10.1016/j.fuel.2025.137056","url":null,"abstract":"<div><div>This study numerically investigates the local combustion characteristics of stoichiometric laminar premixed CH<sub>4</sub>–NH<sub>3</sub> flames with and without the influence of wall effects. Effects of flame-wall interaction (FWI) and ammonia addition on flame temperature, heat release rate (HRR), CH<sub>4</sub>/NH<sub>3</sub> oxidation and CO/NO formation are analyzed comprehensively. The results show that the peak HRR and flame temperature are suppressed more significantly by wall cooling than by intrinsic flame dynamics. With the ammonia addition, the HRR decreases steadily owing to its lower chemical reactivity and reduced volumetric heating value, while the flame temperature shows only a moderate decline, mitigated by the reduced air requirement. In the wall vicinity, wall heat loss becomes the dominant factor, significantly reducing local reaction rates. Despite this, the specific variations in reaction pathways remain strongly governed by fuel-composition-driven chemical kinetics and the sensitivity of each pathway to thermal quenching. Specifically, CH<sub>4</sub> oxidation near the wall is hindered by the absence of HCO radical formation, while NH<sub>3</sub> oxidation in the wall vicinity exhibits an increasing tendency to proceed through the HNO radical pathway with higher NH<sub>3</sub> addition. Under the influence of FWI, the strong suppression of CO oxidation in the burned gases leads to enhanced CO emissions at higher NH<sub>3</sub> content. Furthermore, wall heat loss accelerates NO destruction and promotes the formation of both N<sub>2</sub>O and NO<sub>2</sub> in the burned gases, with the improvement effect being particularly notable for NO<sub>2</sub>. However, with higher NH<sub>3</sub> addition, the NO conversion pathway near the wall undergoes an evident shift towards N<sub>2</sub>O formation owing to the substantial increase in NHi radical concentrations.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"406 ","pages":"Article 137056"},"PeriodicalIF":7.5,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263094","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Coal tar phenolic DES back-extraction study based on Hansen parameters: A combined experimental and computational approach 基于Hansen参数的煤焦油酚醛DES反萃取研究:实验与计算相结合的方法
IF 7.5 1区 工程技术
Fuel Pub Date : 2025-10-06 DOI: 10.1016/j.fuel.2025.137030
Dezhi Cao , Dingkai Hu , Wenna Wang , Xinyue Lin , Xinpeng Bi , Jun Tang , Qiang Wang
{"title":"Coal tar phenolic DES back-extraction study based on Hansen parameters: A combined experimental and computational approach","authors":"Dezhi Cao ,&nbsp;Dingkai Hu ,&nbsp;Wenna Wang ,&nbsp;Xinyue Lin ,&nbsp;Xinpeng Bi ,&nbsp;Jun Tang ,&nbsp;Qiang Wang","doi":"10.1016/j.fuel.2025.137030","DOIUrl":"10.1016/j.fuel.2025.137030","url":null,"abstract":"<div><div>This study developed a high-efficiency screening method based on Hansen Solubility Parameters (HSP) for selecting optimal back-extractants from Phenol-rich phases after Phenol extraction using deep eutectic solvents (DESs). The spatial distance between organic solvents and Phenol in the three-dimensional solubility space was calculated, and diethyl ether (DE) was used as a benchmark for preliminary screening. Further multi-dimensional optimization was performed by integrating ecotoxicity, physical properties (boiling point and viscosity), and environmental impacts (mutagenicity and bioaccumulation), ultimately identifying tetrahydrofuran (THF) and several ester solvents (MF, MA, EA) as potential back-extractants. Experimental verification showed that THF exhibited the best back-extraction performance, and the order of extraction efficiency (THF &gt; MF &gt; EA &gt; MA &gt; DE) was highly consistent with the calculation results of spatial distance and interaction energy. Mechanistic studies revealed that back-extraction efficiency mainly depends on hydrogen bonding interactions and hydrophobic effects between the solvent and Phenol. After 3 cycles of experiments, THF still maintained high regeneration rate of DESs and high extraction rate of phenol, confirming the effectiveness and reliability of this screening method.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"406 ","pages":"Article 137030"},"PeriodicalIF":7.5,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145262995","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Multifactorial impacts on ash behaviors during oxy-fuel co-combustion of semi-coke and biomass 半焦与生物质全氧共燃过程中灰分行为的多因素影响
IF 7.5 1区 工程技术
Fuel Pub Date : 2025-10-06 DOI: 10.1016/j.fuel.2025.137068
Jinping Zhang , Wenwen Wei , Haichen Zhao , Siyuan Li , Jingchun Shen , Defu Che , Lei Chen
{"title":"Multifactorial impacts on ash behaviors during oxy-fuel co-combustion of semi-coke and biomass","authors":"Jinping Zhang ,&nbsp;Wenwen Wei ,&nbsp;Haichen Zhao ,&nbsp;Siyuan Li ,&nbsp;Jingchun Shen ,&nbsp;Defu Che ,&nbsp;Lei Chen","doi":"10.1016/j.fuel.2025.137068","DOIUrl":"10.1016/j.fuel.2025.137068","url":null,"abstract":"<div><div>Oxy-fuel co-combustion of semi-coke (SC) and biomass represents a promising strategy for reducing carbon emissions and utilizing solid industrial waste. However, the ash behavior mechanisms underlying this process remain inadequately understood. This study systematically investigates the multifactorial impacts on ash behaviors during oxy-fuel co-combustion of SC with two distinct types of biomass — rice husk (RH) and pine wood (PW). Through fixed-bed combustion experiments under varied atmospheres (O<sub>2</sub>/N<sub>2</sub>, O<sub>2</sub>/CO<sub>2</sub>) and temperatures (900–1350 °C), coupled with XRF/XRD/AFT/SEM-EDS analysis, the slagging, fouling, corrosion, and abrasion propensities of ashes were evaluated using a suite of established indices. The results revealed markedly divergent ash behaviors of RH-SC and PW-SC blends. The silica-rich RH ash exhibited inherent slagging and fouling resistance. SC blending slightly enhanced these risks but effectively reduced the abrasion and corrosion propensities through mullite crystallization. PW ash exhibited high slagging, fouling, and corrosion propensities due to its abundant low-melting alkali silicate phases, while these propensities were substantially mitigated by SC blending — with a marked reduction when SC ratios exceeded 50 %. Transitioning from 20 % O<sub>2</sub>/80 % N<sub>2</sub> to 20 % O<sub>2</sub>/80 % CO<sub>2</sub> atmosphere had limited influence on ash behaviors. However, increasing O<sub>2</sub> concentration in O<sub>2</sub>/CO<sub>2</sub> atmosphere intensified slagging and fouling due to CaSO<sub>4</sub>-mediated eutectic formation. Oxy-fuel combustion decreased the abrasion propensity through mullite crystallization for RH-SC ash or increasing soft-phase formation for PW-SC ash. Elevated temperatures exacerbated slagging and fouling by enhancing ash fusion but improved abrasion resistance via crystallization of harder phases. Critically, sub-1200 °C operation with biomass-specific SC blending ratios is recommended to optimally mitigate ash-related risks. The findings provide fundamental insights into optimizing oxy-fuel co-combustion processes for sustainable energy utilization.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"406 ","pages":"Article 137068"},"PeriodicalIF":7.5,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263095","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Sustainable hydrogen production from NaBH4 using Co@CHE Catalyst: Experimental and MLP-Based modeling for autonomous fuel systems 使用Co@CHE催化剂从NaBH4可持续制氢:自动燃料系统的实验和基于mlp的建模
IF 7.5 1区 工程技术
Fuel Pub Date : 2025-10-06 DOI: 10.1016/j.fuel.2025.136999
Erhan Onat , Selma Ekinci , Mehmet Sait Izgi , Emre Erkan , Serdal Atiç , Behçet Kocaman , Vedat Tümen
{"title":"Sustainable hydrogen production from NaBH4 using Co@CHE Catalyst: Experimental and MLP-Based modeling for autonomous fuel systems","authors":"Erhan Onat ,&nbsp;Selma Ekinci ,&nbsp;Mehmet Sait Izgi ,&nbsp;Emre Erkan ,&nbsp;Serdal Atiç ,&nbsp;Behçet Kocaman ,&nbsp;Vedat Tümen","doi":"10.1016/j.fuel.2025.136999","DOIUrl":"10.1016/j.fuel.2025.136999","url":null,"abstract":"<div><div>In this study, a catalytic hydrogen production process was investigated by integrating experimental results with Multi-Layer Perceptron (MLP) neural network models to address the energy needs of future autonomous systems powered by hydrogen. Sodium borohydride (SBH, NaBH<sub>4</sub>) hydrolysis was conducted using a cobalt-based catalyst (Co@CHE) synthesized with coffee hydrochar extract, a biomass-derived waste material. While solution medium and temperature were kept constant, the catalyst dosage and NaBH<sub>4</sub> concentration were varied, yielding 844 experimental data points. Additional experiments were carried out to fill gaps in the dataset, which was then expanded to 23,355 data points using polynomial regression. The Co@CHE catalyst exhibited good activity, achieving hydrogen generation rate (HGR) of 65791 mL g<sup>−1</sup> min<sup>−1</sup> at 313 K. Reusability tests further confirmed its stability, showing 60 % retention of catalytic activity after six consecutive cycles, while maintaining 100 % hydrogen yield. Two MLP models were developed: one to predict the amount of hydrogen produced and the other to estimate reaction time. The first model used NaBH<sub>4</sub> amount, catalyst dosage, and reaction time as inputs, while the second used NaBH<sub>4</sub> amount, catalyst dosage, and hydrogen volume. Both models demonstrated excellent prediction performance, with R<sup>2</sup> values of 0.99376 for hydrogen yield and 0.99577 for reaction time, respectively. These results confirm that the proposed MLP models are highly effective for accurately modeling hydrogen production and can support the design of efficient, catalyst-based hydrogen systems.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"406 ","pages":"Article 136999"},"PeriodicalIF":7.5,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145227782","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Modeling atomization, gasification, slag deposition in a novel top-mounted gasifier with dual-swirling multi-nozzles 一种新型双旋多喷嘴顶置气化炉的雾化、气化、渣沉积模拟
IF 7.5 1区 工程技术
Fuel Pub Date : 2025-10-06 DOI: 10.1016/j.fuel.2025.136991
Yufei Liu, Qinhui Wang, Guilin Xie, Mengxiang Fang
{"title":"Modeling atomization, gasification, slag deposition in a novel top-mounted gasifier with dual-swirling multi-nozzles","authors":"Yufei Liu,&nbsp;Qinhui Wang,&nbsp;Guilin Xie,&nbsp;Mengxiang Fang","doi":"10.1016/j.fuel.2025.136991","DOIUrl":"10.1016/j.fuel.2025.136991","url":null,"abstract":"<div><div>Entrained-flow gasification technology has become a key approach for improving energy efficiency in industrial applications. Nevertheless, the conventional single-nozzle configuration commonly employed in existing entrained-flow gasifiers restricts feedstock throughput and poses challenges for the scale-up of coal gasification. To overcome these limitations, this study introduces a novel top-mounted swirling multi-nozzle gasifier, incorporating counter-rotating dual swirlers in the secondary nozzles. The proposed design optimizes the internal flow field by exploiting the interaction between swirling flows and jets. This study investigates the atomization characteristics of the novel atomizing nozzle and conducts a comparative analysis with conventional single-nozzle gasifiers, with emphasis on temperature distribution, flow dynamics, particle behavior, and wall slagging tendencies. The results indicate that the three-channel swirling nozzle improves atomization efficiency and spray angle regulation through the dynamic coupling of counter-rotating flow fields. Compared with traditional single-nozzle gasifiers, the top-mounted swirling multi-nozzle configuration generates an enlarged recirculation zone, which enhances gas–solid mixing, extends particle residence time, and significantly improves gasification efficiency. The reverse swirling flow also facilitates a more uniform dispersion of coal–water slurry droplets, thereby reducing thermal deviations within the gasifier. In addition, the multi-nozzle arrangement allows simultaneous processing of multiple feedstock slurries. Overall, this study presents a novel gasifier design, elucidates its operating mechanism, and provides theoretical guidance for the structural design and optimization of boilers in energy conversion systems.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"406 ","pages":"Article 136991"},"PeriodicalIF":7.5,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263367","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Evaluation of electrical conductivity stability in jet fuels under transport and storage conditions 航空燃料在运输和储存条件下的电导率稳定性评价
IF 7.5 1区 工程技术
Fuel Pub Date : 2025-10-05 DOI: 10.1016/j.fuel.2025.137041
Nikita A. Klimov , Nikita O. Burov , Marina M. Lobashova , Vsevolod D. Savelenko , Uliana A. Makhova , Ekaterina O. Tikhomirova , Daria Yu. Mukhina , Andrei V. Ilin , Artemii A. Shevtsov , Tatiana N. Moiseeva , Dmitry Yu. Klimin , Anton S. Lyadov , Mikhail A. Ershov
{"title":"Evaluation of electrical conductivity stability in jet fuels under transport and storage conditions","authors":"Nikita A. Klimov ,&nbsp;Nikita O. Burov ,&nbsp;Marina M. Lobashova ,&nbsp;Vsevolod D. Savelenko ,&nbsp;Uliana A. Makhova ,&nbsp;Ekaterina O. Tikhomirova ,&nbsp;Daria Yu. Mukhina ,&nbsp;Andrei V. Ilin ,&nbsp;Artemii A. Shevtsov ,&nbsp;Tatiana N. Moiseeva ,&nbsp;Dmitry Yu. Klimin ,&nbsp;Anton S. Lyadov ,&nbsp;Mikhail A. Ershov","doi":"10.1016/j.fuel.2025.137041","DOIUrl":"10.1016/j.fuel.2025.137041","url":null,"abstract":"<div><div>This work investigates the factors affecting the electrical conductivity (EC) of aviation kerosene during transportation, both with and without the addition of antistatic additives, namely: changes in temperature and fuel viscosity, fuel filtration, contact with water of varying pH and aqueous salt solutions, presence of dissolved water, contamination by other petroleum products, fuel oxidation, as well as contact with corroded surfaces.</div><div>The isolated factor of fuel viscosity influences its electrical conductivity. A linear dependence of the fuel’s electrical conductivity on the reciprocal of its viscosity has been demonstrated. Filtration does not affect fuel without additives; however, it causes a decrease in EC of fuels containing additives due to adsorption of active additive components on the filter elements. Contact with acidic water leads to a multiple decrease in EC in fuel with additives and a multiple increase in fuel without additives. The presence of metal salts in dissolved water contributes to an increase in EC when additives are present. Contamination with heavy petroleum products promotes an increase in EC due to a higher content of polar compounds. It has been established that rust intensively adsorbs additive components, reducing the fuel’s electrical conductivity; however, their desorption is observed upon heating. Fuel oxidation results in a temporary increase in EC followed by stabilization.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"406 ","pages":"Article 137041"},"PeriodicalIF":7.5,"publicationDate":"2025-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263615","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Reactive transport modeling of CO2 trapping in carbonate saline aquifers: Coupled effects of wettability, temperature, and salinity on mineralization and storage efficiency 碳酸盐含盐含水层CO2捕获的反应输运模型:润湿性、温度和盐度对矿化和储存效率的耦合影响
IF 7.5 1区 工程技术
Fuel Pub Date : 2025-10-04 DOI: 10.1016/j.fuel.2025.137038
Reza Khoramian , Miras Issakhov , Peyman Pourafshary , Saule Aidarova , Altynay Sharipova
{"title":"Reactive transport modeling of CO2 trapping in carbonate saline aquifers: Coupled effects of wettability, temperature, and salinity on mineralization and storage efficiency","authors":"Reza Khoramian ,&nbsp;Miras Issakhov ,&nbsp;Peyman Pourafshary ,&nbsp;Saule Aidarova ,&nbsp;Altynay Sharipova","doi":"10.1016/j.fuel.2025.137038","DOIUrl":"10.1016/j.fuel.2025.137038","url":null,"abstract":"<div><div>Secure long-term storage of carbon dioxide (CO<sub>2</sub>) in saline aquifers requires a clear understanding of how reservoir conditions and geochemical reactions influence rock properties and trapping mechanisms. While the individual effects of wettability, temperature, and salinity have been examined, their combined impact, particularly under varying wettability states where hysteresis controls phase behavior, remains insufficiently quantified. This study employs reactive transport modeling to assess the effects of temperature (50–90 °C), salinity (70,000–210,000  ppm NaCl), and wettability on CO<sub>2</sub> mineralization, dissolution, and capillary trapping in carbonate-rich formations. Geochemical reactions involving calcite, kaolinite, and anorthite are modeled using transition state theory, while water-wet and mixed-wet conditions are represented through relative permeability and capillary pressure curves that capture wettability-dependent flow behavior. Mineralization increases from ∼ 4.4 × 10<sup>6</sup> to ∼ 1.3 × 10<sup>7</sup> mol in mixed-wet systems from 50 °C to 90 °C, while capillary trapping decreases from ∼ 67 % to ∼ 54 % (water-wet) and ∼ 48 % to ∼ 36 % (mixed-wet), and dissolution rises to &gt; 30 %. At 90 °C, increasing salinity shifts CO<sub>2</sub> plumes from vertically elongated, dissolution-dominant (∼36 %) in mixed-wet to laterally confined, capillary-dominant (∼82 %) in water-wet systems, governed by hysteresis (0.2 vs. 0.35). Calcite precipitation declines by ∼ 22 % (water-wet) with temperature and by ∼ 14 % with salinity, while kaolinite precipitation triples and anorthite dissolution varies from − 25 % to + 90 % depending on wettability. Over 60 years, porosity and permeability increase modestly by ∼ 0.36 % and ∼ 1.22 %. These findings clarify how wettability-driven interfacial dynamics influence mineralization and phase trapping, providing mechanistic guidance for optimizing CO<sub>2</sub> storage performance across diverse reservoir settings.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"406 ","pages":"Article 137038"},"PeriodicalIF":7.5,"publicationDate":"2025-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145218140","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Pore-scale simulation study on particle migration and retention in porous media during CO2 storage: effect of particle size distribution CO2储存过程中颗粒迁移与滞留的孔隙尺度模拟研究:粒径分布的影响
IF 7.5 1区 工程技术
Fuel Pub Date : 2025-10-04 DOI: 10.1016/j.fuel.2025.137046
Kang Zhou , Ke Su , Shuhao Tao , Jian Hou
{"title":"Pore-scale simulation study on particle migration and retention in porous media during CO2 storage: effect of particle size distribution","authors":"Kang Zhou ,&nbsp;Ke Su ,&nbsp;Shuhao Tao ,&nbsp;Jian Hou","doi":"10.1016/j.fuel.2025.137046","DOIUrl":"10.1016/j.fuel.2025.137046","url":null,"abstract":"<div><div>CO<sub>2</sub> storage is one of the key technologies for carbon reduction. However, the storage process is often accompanied by particle migration and formation clogging, which is significantly influenced by the distribution type of particle size. Therefore, the paper studied the effect of size distribution type on particle migration and retention characteristics by coupling Computational Fluid Dynamics and Discrete Element Method. The pore-scale simulation results indicate that an increase in the mean particle radius and a decrease in the CO<sub>2</sub> flow velocity lead to a reduced migration capacity, higher retention rates, and closer retention positions to the inlet. Within a certain range, increasing standard deviation of particle size distribution results in higher retention rates, closer retention position, and a more concentrated retention distribution. Among different probability distributions of particle sizes, those following a chi-square distribution exhibit the highest retention rate (40.7%), followed by the exponential distribution (37.4%) and the uniform distribution (35.0%). The truncated Gaussian particles retain farther from the inlet but more concentrated, while uniform distribution has the farthest and most dispersed retention. These studies indicate that various particles with different sizes can cause a superimposed and compounded clogging performance. This combined clogging mechanism leads to a more pronounced narrowing of the pore throats than the blockage induced by large particles alone or the bridging effect caused by small particles. The findings reveal that heterogeneous particle size distributions induce more complex effects on migration and retention during CO<sub>2</sub> injection than single-sized particles.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"406 ","pages":"Article 137046"},"PeriodicalIF":7.5,"publicationDate":"2025-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145218191","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Theoretical and kinetic insights into pyrolysis model of 2-acetylfuran 2-乙酰呋喃热解模型的理论与动力学研究
IF 7.5 1区 工程技术
Fuel Pub Date : 2025-10-04 DOI: 10.1016/j.fuel.2025.137073
Yuqiang Li , Jingzhe Huang , Shoulong Lin , Yong Chen
{"title":"Theoretical and kinetic insights into pyrolysis model of 2-acetylfuran","authors":"Yuqiang Li ,&nbsp;Jingzhe Huang ,&nbsp;Shoulong Lin ,&nbsp;Yong Chen","doi":"10.1016/j.fuel.2025.137073","DOIUrl":"10.1016/j.fuel.2025.137073","url":null,"abstract":"<div><div>As a next-generation biofuel, 2-acetylfuran (AF2) exhibits high energy density, favorable combustion properties, and scalable production from sustainable biomass feedstocks. However, comprehensive studies on its pyrolysis reaction kinetics remain scarce, and the kinetic parameters for fuel-related reactions are estimated using analogy methods, introducing significant uncertainty in modeling predictions. In this study, quantum chemical calculation was employed to systematically investigate the fuel-related reactions of AF2, including hydrogen abstraction, <em>ipso</em>-substitution, hydrogen addition, and unimolecular decomposition reactions. Rate constants for reactions with energy barriers were calculated using transition state theory, while those for decomposition reactions were analyzed via RRKM theory. The CBS-QB3 method was utilized to determine thermodynamic parameters for key species. The previously proposed pyrolysis model of AF2 was updated based on these computational results. The modified model demonstrates improved accuracy in reproducing experimental species concentration profiles compared to the original version. Reaction pathway analysis reveals that the primary improvement stems from increased AF2 consumption through both hydrogen abstraction and addition.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"406 ","pages":"Article 137073"},"PeriodicalIF":7.5,"publicationDate":"2025-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263614","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Multi-scale assessment of energy transition and emission patterns in industrial coastal regions 沿海工业地区能源转型与排放格局的多尺度评价
IF 7.5 1区 工程技术
Fuel Pub Date : 2025-10-04 DOI: 10.1016/j.fuel.2025.137069
Ying Teng , Mingkun Bai , Xiran Lin , Jiajie Li , Tao Zhang , Shuyang Liu , Senyou An , Liangbin Xu , Pengfei Wang , Songbai Han , Jinlong Zhu , Jianbo Zhu , Heping Xie
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