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Differential correlation analysis of gas products and active groups reactions in coal oxidation and pyrolysis 煤氧化热解过程中气体产物与活性基团反应的差异相关分析
IF 7.5 1区 工程技术 Q2 ENERGY & FUELS Pub Date : 2026-08-01 Epub Date: 2026-02-04 DOI: 10.1016/j.fuel.2026.138575
Xiaoyuan Jiang , Lin Lan , Shengqiang Yang , Buzhuang Zhou , Jiawen Cai
Differences in gas environments lead to distinct active group reactions and gas products during coal oxidation versus pyrolysis. However, as a fundamental underlying reaction, coal pyrolysis invariably coexists with the oxidation process, inevitably affects the precise analysis of the correlation between gas product release and active group oxidation reactions. To address this, the study first employed Electron Spin Resonance (ESR), Fourier Transform Infrared Spectroscopy (FTIR), and Gas Chromatography (GC) experiments to measure radical parameters, functional group contents, and CO/CO2 release amounts under oxidation and pyrolysis conditions, respectively. The differences in active groups under these two conditions were compared and their causes analyzed. Subsequently, correlation analysis was used to calculate the correlation degrees between gas products and active groups under oxidation, pyrolysis, and differential conditions (the difference between oxidation and pyrolysis). The results show that under oxidation conditions, the active groups most strongly correlated with CO and CO2 generation are ether bonds and carbonyl groups, respectively; under pyrolysis conditions, aliphatic hydrocarbons are the dominant groups for both CO and CO2 generation. This indicates that gas products under oxidation primarily originate from reactions of oxygen-containing functional groups, whereas pyrolysis gases mainly result from aliphatic chain cracking. Differential correlation analysis further highlights the strong correlations between CO generation and ether bonds, and CO2 generation and carbonyl groups under oxidation. In contrast, the strong correlations between CO/CO2 generation and aliphatic hydrocarbons under pyrolysis are weakened. Ultimately, the micro-generation pathways of coal spontaneous combustion gases revealed by this differential study provide the core theoretical foundation for precise early-warning and efficient inhibitor development.
不同的气体环境导致不同的活性基团反应和气体产物在煤的氧化和热解。然而,煤热解作为一种基本的底层反应,总是与氧化过程共存,不可避免地影响了气体产物释放与活性基团氧化反应相关性的精确分析。为了解决这一问题,本研究首先采用电子自旋共振(ESR)、傅里叶变换红外光谱(FTIR)和气相色谱(GC)实验分别测量了氧化和热解条件下自由基参数、官能团含量和CO/CO2释放量。比较两种情况下活动组的差异,并分析其原因。随后,通过相关分析计算氧化、热解、差异条件(氧化与热解之差)下气体产物与活性基团的关联度。结果表明:在氧化条件下,与CO和CO2生成相关性最强的活性基团分别是醚键和羰基;在热解条件下,脂肪烃是CO和CO2生成的优势基团。这说明氧化产物主要来源于含氧官能团的反应,而热解产物主要来源于脂肪链裂解。差异相关分析进一步突出了CO生成与醚键、CO生成与氧化羰基之间的强相关性。相比之下,热解过程中CO/CO2生成与脂肪烃之间的强相关性减弱。最终,该差异性研究揭示的煤自燃气体微生成路径为精确预警和高效抑制剂开发提供了核心理论基础。
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引用次数: 0
Evolution of pore structure and methane adsorption in thermally matured shales: A case study of low-mature Dalong shale in Sichuan Basin, China 热成熟页岩孔隙结构演化与甲烷吸附——以四川盆地低成熟大龙页岩为例
IF 7.5 1区 工程技术 Q2 ENERGY & FUELS Pub Date : 2026-08-01 Epub Date: 2026-02-06 DOI: 10.1016/j.fuel.2026.138665
Taotao Cao , Jiacheng Zeng , Ye Chen , Anyang Pan , Hu Liu , Jing Liao , Gaofei Ning
<div><div>Adsorbed gas makes a great contribution to shale gas reserve and shale gas development, and therefore it is very important to clarify the dynamic evolution mechanism of adsorbed gas. However, the co-evolution modes of pore structure and methane adsorption capacity are still unclear. Accordingly, a series of experiments, including total organic carbon (TOC), XRD, low-pressure N<sub>2</sub> adsorption (N<sub>2</sub>GA), scanning electron microscopy (SEM), field-emission scanning electron microscopy (FE-SEM) and methane adsorption capacity, were performed on a series of artificially simulated samples from a low-mature Dalong shale in the Sichuan Basin. The results demonstrate that the evolution of shale pores particularly OM-related pores, coupled with a decrease in OM content and the alternation of clay minerals, is significantly controlled by thermal maturity. At mature and early high-mature stages, kerogen evolves into liquid hydrocarbons which subsequently fill shale pores, and with further increased thermal maturity, liquid hydrocarbons are cracked and OM pores reappear. As thermal maturity increases, OM pores are developed extensively in solid bitumen and pyrobitumen. Methane adsorption capacities of the simulated samples range from 2.29 to 3.80 cm<sup>3</sup>/g and from 1.85 to 3.18 cm<sup>3</sup>/g under dry and moisture-equilibrated conditions, respectively. Methane adsorption capacity is predominately contributed by OMs, and the contribution of clay minerals accounts only for 15.15-22.85% across the simulated samples. Clay mineral content exerts a positive influence on methane adsorption capacity at the mature stage, while it shifts to negligible effect at the overmature stage. The rise in methane adsorption capacity can be attributed to: the decomposition of kerogen, the progression of thermal maturity, the cracking of liquid hydrocarbon, and the expansion of micro- to mesopore networks. In terms of dynamic evolution of shale pores and methane adsorption behavior, four distinct stages of methane adsorption can be identified. At the early mature stage (eqv<em>R</em>o < 1.30%), methane is adsorbed on the surface of OMs and clay minerals. At the high mature stage (1.30%<eqv<em>R</em>o < 2.0%), methane is adsorbed in single-layer form within pores related to original OM, solid bitumen and clay minerals. At the over-mature stage (2.0%<eqv<em>R</em>o < 3.0%), methane exists in pores related to original OM in a single-layer form, and in pyrobitumen pores and clay mineral pores in a multi-layer form, and 4) at extremely over-mature stage (eqv<em>R</em>o > 3.0%), methane is predominantly adsorbed firstly in a multi-layer form in OM pores of pyrobitumen and secondly in pores related to original OM, and the adsorption capacity of clay minerals is enhanced due to the discharge of water. These findings revealed the mechanism of adsorbed gas in different thermal mature stages, and also provided guidance for shale gas evaluat
吸附气对页岩气储量和页岩气开发有重要贡献,因此阐明吸附气动态演化机制具有十分重要的意义。然而,孔隙结构与甲烷吸附能力的共同演化模式尚不清楚。在此基础上,对四川盆地低成熟大龙页岩进行了一系列人工模拟样品的总有机碳(TOC)、XRD、低压N2吸附(N2GA)、扫描电镜(SEM)、场发射扫描电镜(FE-SEM)和甲烷吸附能力等实验研究。结果表明,页岩孔隙尤其是有机质相关孔隙的演化,以及有机质含量的降低和粘土矿物的交替,受热成熟度的显著控制。在成熟阶段和高成熟早期,干酪根演化成液态烃,随后填满页岩孔隙,随着热成熟度的进一步提高,液态烃被裂解,有机质孔隙重新出现。随着热成熟度的增加,OM孔在固体沥青和焦沥青中广泛发育。在干燥和水分平衡条件下,模拟样品的甲烷吸附量分别为2.29 ~ 3.80 cm3/g和1.85 ~ 3.18 cm3/g。模拟样品的甲烷吸附容量主要由OMs贡献,粘土矿物的贡献仅占15.15 ~ 22.85%。粘土矿物含量在成熟阶段对甲烷吸附能力有正影响,而在过成熟阶段对甲烷吸附能力的影响变为可忽略。甲烷吸附能力的上升可归因于:干酪根的分解、热成熟度的提高、液态烃的裂解以及微孔到中孔网络的扩展。根据页岩孔隙的动态演化和甲烷吸附行为,可以划分出四个不同的甲烷吸附阶段。在早期成熟阶段(eqvRo < 1.30%),甲烷吸附在OMs和粘土矿物表面。在高成熟阶段(1.30%<eqvRo < 2.0%),甲烷以单层形式吸附在与原始有机质、固体沥青和粘土矿物相关的孔隙中。在过成熟阶段(2.0%<eqvRo < 3.0%),甲烷以单层形式存在于原生有机质相关孔隙中,以多层形式存在于焦沥青孔隙和粘土矿物孔隙中;4)在极过成熟阶段(eqvRo > 3.0%),甲烷主要以多层形式首先吸附于焦沥青有机质孔隙中,其次吸附于原生有机质相关孔隙中,粘土矿物的吸附能力因水的排出而增强。研究结果揭示了不同热成熟阶段页岩气吸附机理,为页岩气评价和勘探提供指导。
{"title":"Evolution of pore structure and methane adsorption in thermally matured shales: A case study of low-mature Dalong shale in Sichuan Basin, China","authors":"Taotao Cao ,&nbsp;Jiacheng Zeng ,&nbsp;Ye Chen ,&nbsp;Anyang Pan ,&nbsp;Hu Liu ,&nbsp;Jing Liao ,&nbsp;Gaofei Ning","doi":"10.1016/j.fuel.2026.138665","DOIUrl":"10.1016/j.fuel.2026.138665","url":null,"abstract":"&lt;div&gt;&lt;div&gt;Adsorbed gas makes a great contribution to shale gas reserve and shale gas development, and therefore it is very important to clarify the dynamic evolution mechanism of adsorbed gas. However, the co-evolution modes of pore structure and methane adsorption capacity are still unclear. Accordingly, a series of experiments, including total organic carbon (TOC), XRD, low-pressure N&lt;sub&gt;2&lt;/sub&gt; adsorption (N&lt;sub&gt;2&lt;/sub&gt;GA), scanning electron microscopy (SEM), field-emission scanning electron microscopy (FE-SEM) and methane adsorption capacity, were performed on a series of artificially simulated samples from a low-mature Dalong shale in the Sichuan Basin. The results demonstrate that the evolution of shale pores particularly OM-related pores, coupled with a decrease in OM content and the alternation of clay minerals, is significantly controlled by thermal maturity. At mature and early high-mature stages, kerogen evolves into liquid hydrocarbons which subsequently fill shale pores, and with further increased thermal maturity, liquid hydrocarbons are cracked and OM pores reappear. As thermal maturity increases, OM pores are developed extensively in solid bitumen and pyrobitumen. Methane adsorption capacities of the simulated samples range from 2.29 to 3.80 cm&lt;sup&gt;3&lt;/sup&gt;/g and from 1.85 to 3.18 cm&lt;sup&gt;3&lt;/sup&gt;/g under dry and moisture-equilibrated conditions, respectively. Methane adsorption capacity is predominately contributed by OMs, and the contribution of clay minerals accounts only for 15.15-22.85% across the simulated samples. Clay mineral content exerts a positive influence on methane adsorption capacity at the mature stage, while it shifts to negligible effect at the overmature stage. The rise in methane adsorption capacity can be attributed to: the decomposition of kerogen, the progression of thermal maturity, the cracking of liquid hydrocarbon, and the expansion of micro- to mesopore networks. In terms of dynamic evolution of shale pores and methane adsorption behavior, four distinct stages of methane adsorption can be identified. At the early mature stage (eqv&lt;em&gt;R&lt;/em&gt;o &lt; 1.30%), methane is adsorbed on the surface of OMs and clay minerals. At the high mature stage (1.30%&lt;eqv&lt;em&gt;R&lt;/em&gt;o &lt; 2.0%), methane is adsorbed in single-layer form within pores related to original OM, solid bitumen and clay minerals. At the over-mature stage (2.0%&lt;eqv&lt;em&gt;R&lt;/em&gt;o &lt; 3.0%), methane exists in pores related to original OM in a single-layer form, and in pyrobitumen pores and clay mineral pores in a multi-layer form, and 4) at extremely over-mature stage (eqv&lt;em&gt;R&lt;/em&gt;o &gt; 3.0%), methane is predominantly adsorbed firstly in a multi-layer form in OM pores of pyrobitumen and secondly in pores related to original OM, and the adsorption capacity of clay minerals is enhanced due to the discharge of water. These findings revealed the mechanism of adsorbed gas in different thermal mature stages, and also provided guidance for shale gas evaluat","PeriodicalId":325,"journal":{"name":"Fuel","volume":"417 ","pages":"Article 138665"},"PeriodicalIF":7.5,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186136","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
Rapid determination of diesel density using near-infrared and mid-infrared spectroscopy data fusion modelling 使用近红外和中红外光谱数据融合建模快速测定柴油密度
IF 7.5 1区 工程技术 Q2 ENERGY & FUELS Pub Date : 2026-08-01 Epub Date: 2026-02-04 DOI: 10.1016/j.fuel.2026.138627
Chaomin Ding , Ying Kan , Anni Liu , Xiaoyan Guo , Zhengdong Zhang , Junting Tong , Ke Li , Fan Liu , Xiaoping Song , Yong Yan , Qi Li , Tao Hong
Density is an important physical and chemical property of diesel, closely linked to its combustion performance in engines. Ensuring diesel quality in the refined oil market necessitates rapid and accurate density determination. While the density meter method, as a standard technique, is highly accurate, its complexity and lengthy analysis time limit its suitability for rapid on-site detection. Mid-infrared (MIR) and near-infrared spectroscopy (NIR) are commonly used in rapid oil testing. The spectral fusion of MIR and NIR simultaneously reflects fundamental, overtone, and combination frequency absorption of hydrogen-containing group vibrations, effectively addressing the limitations of single-spectrum methods in representing molecular structural information. Combined with chemometric models, this approach forms a novel method for rapid diesel density determination by addressing the limitations of conventional data integration strategies. PLS models were constructed using MIR and NIR spectra under four preprocessing conditions (no preprocessing, Savitzky-Golay first derivative, Savitzky-Golay second derivative, and vector normalization) for single spectra, and low-level, mid-level, high-level, and optimized high-level (Opt-HLDF) spectral data fusion. Under different spectral preprocessing conditions, the root mean squared error of prediction (RMSEP) for the best single-spectrum, low-level, and mid-level data fusion models were 1.10, 0.84, and 0.38 kg/m3, respectively, with the prediction coefficient of determination (RP2) of 0.98, 0.98, and 0.99, demonstrating the effectiveness of low- and mid-level data fusion in improving prediction performance. However, the high-level data fusion model performed poorly in external validation, with RMSEP and RP2 values of 1.75 kg/m3 and 0.95. To address this, an Opt-HLDF-PLS model was developed by integrating sub-models screened using a performance benchmark from optimal single-spectrum results. The Opt-HLDF-PLS model achieved the highest external validation performance, with RMSEP and RP2 values of 0.35 kg/m3 and 0.99, respectively, improving external validation accuracy by 7.89%–82.93% compared to other models and effectively mitigating the predictive instability frequently observed in conventional high-level fusion. F-tests and T-tests confirmed that the precision and accuracy of the optimized high-level data fusion method are highly comparable to the standard method. In conclusion, this study developed an optimized high-level spectral data fusion model based on NIR and MIR, enabling accurate and rapid diesel density determination.
密度是柴油的一项重要的物理和化学特性,与柴油在发动机中的燃烧性能密切相关。为了保证成品油市场的柴油质量,必须快速准确地测定密度。密度计法作为一种标准技术,虽然精度较高,但其复杂性和分析时间较长,限制了其在现场快速检测中的适用性。中红外光谱(MIR)和近红外光谱(NIR)是油品快速检测的常用方法。MIR和NIR的光谱融合同时反映了含氢基团振动的基频、泛音和组合频率吸收,有效地解决了单光谱方法在表示分子结构信息方面的局限性。结合化学计量模型,该方法解决了传统数据集成策略的局限性,形成了一种快速测定柴油密度的新方法。利用MIR光谱和近红外光谱在四种预处理条件下(未预处理、Savitzky-Golay一阶导数、Savitzky-Golay二阶导数和矢量归一化)对单个光谱进行预处理,以及低水平、中级、高水平和优化的高水平(Opt-HLDF)光谱数据融合,构建PLS模型。在不同的光谱预处理条件下,最佳的单光谱、低光谱和中级数据融合模型的预测均方根误差(RMSEP)分别为1.10、0.84和0.38 kg/m3,预测决定系数(RP2)分别为0.98、0.98和0.99,显示了低光谱和中级数据融合在提高预测性能方面的有效性。然而,高层数据融合模型在外部验证中表现不佳,RMSEP和RP2值分别为1.75 kg/m3和0.95。为了解决这个问题,通过整合使用最佳单光谱结果的性能基准筛选的子模型,开发了Opt-HLDF-PLS模型。Opt-HLDF-PLS模型获得了最高的外部验证性能,RMSEP和RP2值分别为0.35 kg/m3和0.99,与其他模型相比,外部验证精度提高了7.89%-82.93%,有效减轻了传统高水平融合中常见的预测不稳定性。f检验和t检验证实,优化后的高阶数据融合方法的精密度和准确度与标准方法具有高度可比性。综上所述,本研究开发了一种基于近红外和MIR的优化高光谱数据融合模型,实现了准确、快速的柴油密度测定。
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引用次数: 0
Interpretable machine learning for optimizing the specific capacitance of biomass-derived supercapacitors 用于优化生物质衍生超级电容器比电容的可解释机器学习
IF 7.5 1区 工程技术 Q2 ENERGY & FUELS Pub Date : 2026-08-01 Epub Date: 2026-02-10 DOI: 10.1016/j.fuel.2026.138681
Yunyun Liu , Heng Zhang , Rui Cao , Haojie Gao , Qiang Yu , Meng An
Predicting the specific capacitance of biomass-derived supercapacitors is challenging owing to the compositional variability of biomass and nonlinear interactions among synthesis parameters. Traditional methods struggle to accurately model these complex relationships. To address this limitation, this study employed six interpretable machine learning (ML) algorithms, including Gradient Boosting Decision Tree (GBDT), Random Forest (RF), Categorical Boosting (CATBoost), Gaussian Process Regression (GPR), Gradient Boosting Regression (GBR), and Extra Trees Regression (ETR), to predict capacitance based on 100 experimental datasets. After hyperparameter optimization, CATBoost achieved superior prediction accuracy with an R2 of 0.9558, whereas GPR and GBR showed higher overfitting tendencies. Shapley Additive exPlanations (SHAP) analysis indicated that specific surface area (SSA), total pore volume (TPV), and activation temperature had positive impacts on specific capacitance, whereas the ID/IG ratio and activation time exhibited negative effects. Validation using Partial Dependence Plots (PDPs) confirmed that the maximum specific capacitance reached 370F/g under optimal conditions: SSA exceeding 1250 m2/g, TPV above 1.1 cm3/g, activation temperature near 600 °C, and ID/IG within 0.8–0.85. These results demonstrate that the interpretable ML–based CATBoost model can effectively guide the synthesis of high–performance biomass–derived supercapacitors and provide a data–driven strategy for sustainable energy material design.
由于生物质组成的可变性和合成参数之间的非线性相互作用,预测生物质衍生超级电容器的比电容具有挑战性。传统的方法很难准确地模拟这些复杂的关系。为了解决这一限制,本研究采用了六种可解释的机器学习(ML)算法,包括梯度增强决策树(GBDT)、随机森林(RF)、分类增强(CATBoost)、高斯过程回归(GPR)、梯度增强回归(GBR)和额外树回归(ETR),基于100个实验数据集预测电容。超参数优化后,CATBoost的预测精度较高,R2为0.9558,而GPR和GBR表现出较高的过拟合倾向。Shapley Additive explanation (SHAP)分析表明,比表面积(SSA)、总孔容(TPV)和活化温度对比电容有正影响,而ID/IG比和活化时间对比电容有负影响。通过偏相关图(pdp)验证,在SSA大于1250 m2/g, TPV大于1.1 cm3/g,活化温度接近600℃,ID/IG在0.8 ~ 0.85之间的最佳条件下,最大比电容达到370F/g。这些结果表明,可解释的基于ml的CATBoost模型可以有效地指导高性能生物质超级电容器的合成,并为可持续能源材料的设计提供数据驱动策略。
{"title":"Interpretable machine learning for optimizing the specific capacitance of biomass-derived supercapacitors","authors":"Yunyun Liu ,&nbsp;Heng Zhang ,&nbsp;Rui Cao ,&nbsp;Haojie Gao ,&nbsp;Qiang Yu ,&nbsp;Meng An","doi":"10.1016/j.fuel.2026.138681","DOIUrl":"10.1016/j.fuel.2026.138681","url":null,"abstract":"<div><div>Predicting the specific capacitance of biomass-derived supercapacitors is challenging owing to the compositional variability of biomass and nonlinear interactions among synthesis parameters. Traditional methods struggle to accurately model these complex relationships. To address this limitation, this study employed six interpretable machine learning (ML) algorithms, including Gradient Boosting Decision Tree (GBDT), Random Forest (RF), Categorical Boosting (CATBoost), Gaussian Process Regression (GPR), Gradient Boosting Regression (GBR), and Extra Trees Regression (ETR), to predict capacitance based on 100 experimental datasets. After hyperparameter optimization, CATBoost achieved superior prediction accuracy with an R<sup>2</sup> of 0.9558, whereas GPR and GBR showed higher overfitting tendencies. Shapley Additive exPlanations (SHAP) analysis indicated that specific surface area (SSA), total pore volume (TPV), and activation temperature had positive impacts on specific capacitance, whereas the ID/IG ratio and activation time exhibited negative effects. Validation using Partial Dependence Plots (PDPs) confirmed that the maximum specific capacitance reached 370F/g under optimal conditions: SSA exceeding 1250 m<sup>2</sup>/g, TPV above 1.1 cm<sup>3</sup>/g, activation temperature near 600 °C, and ID/IG within 0.8–0.85. These results demonstrate that the interpretable ML–based CATBoost model can effectively guide the synthesis of high–performance biomass–derived supercapacitors and provide a data–driven strategy for sustainable energy material design.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"417 ","pages":"Article 138681"},"PeriodicalIF":7.5,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186699","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
Optimization of dust collector cartridge performance parameters using a porous media model 基于多孔介质模型的除尘器滤筒性能参数优化
IF 7.5 1区 工程技术 Q2 ENERGY & FUELS Pub Date : 2026-08-01 Epub Date: 2026-02-10 DOI: 10.1016/j.fuel.2026.138690
Huitian Peng , Yuhang Li , Wen Nie , Lidian Guo , Fei Liu , Heng Liu , Mingyuan Lu , Jinkun Zhang , Yunshuo Shi , Meiyang Liao , Xingchao Cha
To address the challenges of low filtration efficiency and non-uniform velocity distribution in coal-mine dust-control fan cartridges, this study employed a porous media model to represent the filter medium and an orthogonal experimental design to systematically examine the effects of permeability α, pressure-jump coefficient C2, and cartridge thickness Δm on velocity distribution and filtration performance. An L9(34) orthogonal scheme was established, and numerical simulations were performed to analyze flow-field characteristics and dust-filtration behavior under different parameter combinations. The results show that when the permeability α is set to 3 × 10⁻11 m2, the pressure-jump coefficient C2 to 4 × 104 m⁻1, and cartridge thickness Δm to 0.0008 m, the standard deviation of the flow-field gradient decreases to 0.09, suggesting improved uniformity in the velocity distribution within the cartridge. Particle-transport simulations further demonstrate that this parameter combination effectively captures particles smaller than 10 μm, with dust predominantly depositing on the outer surface of the cartridge and at the bottom of the housing, thereby reducing the outlet dust concentration to approximately 9 mg/m3. Experimental validation confirms that, under the optimized conditions, the cartridge achieves a filtration efficiency exceeding 98% for dust particles in the size range of 0.2–10 μm. Overall, the optimization of key parameters results in a synergistic improvement in both flow-field uniformity and filtration performance, providing valuable insights for the advancement of mine dry dust-removal technology.
针对煤矿降尘风机滤筒过滤效率低、速度分布不均匀的问题,采用多孔介质模型代表过滤介质,采用正交试验设计,系统考察了渗透率α、跳压系数C2和滤筒厚度Δm对速度分布和过滤性能的影响。建立L9(34)正交方案,进行数值模拟,分析不同参数组合下的流场特性及滤尘性能。结果表明,当渗透率α设定为3 × 10 - 11 m2,跳压系数C2设定为4 × 104 m - 1,装药厚度Δm设定为0.0008 m时,流场梯度的标准差减小到0.09,说明装药内速度分布的均匀性得到了改善。颗粒输运模拟进一步表明,该参数组合有效捕获小于10 μm的颗粒,粉尘主要沉积在筒体外表面和壳体底部,从而将出口粉尘浓度降低到约9 mg/m3。实验验证,在优化条件下,滤筒对粒径0.2 ~ 10 μm的粉尘颗粒的过滤效率超过98%。总体而言,关键参数的优化使流场均匀性和过滤性能协同提高,为矿井干式除尘技术的进步提供了有价值的见解。
{"title":"Optimization of dust collector cartridge performance parameters using a porous media model","authors":"Huitian Peng ,&nbsp;Yuhang Li ,&nbsp;Wen Nie ,&nbsp;Lidian Guo ,&nbsp;Fei Liu ,&nbsp;Heng Liu ,&nbsp;Mingyuan Lu ,&nbsp;Jinkun Zhang ,&nbsp;Yunshuo Shi ,&nbsp;Meiyang Liao ,&nbsp;Xingchao Cha","doi":"10.1016/j.fuel.2026.138690","DOIUrl":"10.1016/j.fuel.2026.138690","url":null,"abstract":"<div><div>To address the challenges of low filtration efficiency and non-uniform velocity distribution in coal-mine dust-control fan cartridges, this study employed a porous media model to represent the filter medium and an orthogonal experimental design to systematically examine the effects of permeability <em>α</em>, pressure-jump coefficient <em>C<sub>2</sub></em>, and cartridge thickness <strong>Δ</strong><em>m</em> on velocity distribution and filtration performance. An L9(3<sup>4</sup>) orthogonal scheme was established, and numerical simulations were performed to analyze flow-field characteristics and dust-filtration behavior under different parameter combinations. The results show that when the permeability <em>α</em> is set to 3 × 10⁻<sup>11</sup> m<sup>2</sup>, the pressure-jump coefficient <em>C<sub>2</sub></em> to 4 × 10<sup>4</sup> m⁻<sup>1</sup>, and cartridge thickness <strong>Δ</strong><em>m</em> to 0.0008 m, the standard deviation of the flow-field gradient decreases to 0.09, suggesting improved uniformity in the velocity distribution within the cartridge. Particle-transport simulations further demonstrate that this parameter combination effectively captures particles smaller than 10 μm, with dust predominantly depositing on the outer surface of the cartridge and at the bottom of the housing, thereby reducing the outlet dust concentration to approximately 9 mg/m<sup>3</sup>. Experimental validation confirms that, under the optimized conditions, the cartridge achieves a filtration efficiency exceeding 98% for dust particles in the size range of 0.2–10 μm. Overall, the optimization of key parameters results in a synergistic improvement in both flow-field uniformity and filtration performance, providing valuable insights for the advancement of mine dry dust-removal technology.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"417 ","pages":"Article 138690"},"PeriodicalIF":7.5,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186794","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
Feasibility and mechanism of miscible oil recovery in unconventional reservoirs using CO2-enriched hydrocarbon gas mixtures: Insights from phase behavior and compositional simulation 利用富含co2的油气混合物开采非常规油藏混相油的可行性和机理:来自相行为和成分模拟的见解
IF 7.5 1区 工程技术 Q2 ENERGY & FUELS Pub Date : 2026-08-01 Epub Date: 2026-02-09 DOI: 10.1016/j.fuel.2026.138616
Yong Tang , Yu Sun , Youwei He , Zhuxin Zhang , Jiazheng Qin
CO2-enriched hydrocarbon gas mixtures take advantage of the low miscibility pressure of CO2 and the compositional similarity of hydrocarbons, enabling enhanced oil recovery (EOR), reducing CO2 emissions, and mitigating carbon source limitation. However, the potential principles of their multi-component mass transfer in oil remain unclear. In this paper, the EOR performance and mechanisms of CO2-hydrocarbon gas co-injection in unconventional reservoirs are clarified by integrating phase behavior with compositional simulation. The physical properties of CO2-hydrocarbon gas mixtures and their phase behaviors with oil are studied in a fluid model. The impacts of different gases on oil–gas miscibility, gas front migration, and mixing mass transfer are analyzed using a slim-tube simulation study. The EOR mechanisms of CO2-hydrocarbon gas co-injection and its feasibility in reservoirs with carbon source limitation are explored based on compositional simulations. Results show that regulating the CO2 ratio in the gas mixtures improves both oil–gas miscibility and carbon utilization efficiency. The comparison between gas front migration and oil component distribution under miscible and immiscible status indicates that CO2-hydrocarbon gas miscible flooding enhances CO2 dissolution, promotes mass transfer, and delays gas breakthrough. Gas dissolution, oil expansion, component extraction, oil–gas miscibility and energy replenishment are essential mechanisms that boost the synergistic CO2-hydrocarbon gas-EOR process. Nearly 52.53% CO2 is stored availably, while the rest is produced after the end of 20-year EOR. This impure CO2 injection technology combines abundant associated gas with limited CO2 for oil production, which provides engineers with valuable insights into methane management and carbon reduction in unconventional reservoirs.
富含二氧化碳的油气混合物利用了二氧化碳的低混相压力和碳氢化合物成分的相似性,从而提高了采收率(EOR),减少了二氧化碳排放,并缓解了碳源限制。然而,它们在石油中多组分传质的潜在原理仍不清楚。本文通过相行为与组分模拟相结合的方法,阐明了非常规油藏co2 -烃类气体共注提高采收率的性能和机理。在流体模型中研究了co2 -烃类混合气体的物理性质及其与石油的相行为。通过细管模拟研究,分析了不同气体对油气混相、气锋运移和混合传质的影响。基于组分模拟,探讨了co2 -烃类气体共注提高采收率机理及其在碳源受限油藏中的可行性。结果表明,调节混合气中CO2的比例既能提高油气混相,又能提高碳的利用效率。混相和非混相状态下气相前缘运移和油组分分布的对比表明,CO2-烃气混相驱增强了CO2溶解,促进了传质,延缓了气相突破。气体溶解、油气膨胀、组分萃取、油气混相和能量补充是促进co2 -烃类气驱协同提高采收率的重要机制。近52.53%的二氧化碳被有效储存,而其余的则在20年EOR结束后产生。这种不纯的二氧化碳注入技术结合了丰富的伴生气体和有限的二氧化碳用于采油,为工程师提供了非常规油藏甲烷管理和碳减排的宝贵见解。
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引用次数: 0
CO2-responsive in-situ mineralization system for mitigating channeling and enhancing storage efficiency of CO2 during CCUS 二氧化碳响应原位矿化系统缓解CCUS过程中的窜流,提高CO2储存效率
IF 7.5 1区 工程技术 Q2 ENERGY & FUELS Pub Date : 2026-08-01 Epub Date: 2026-02-09 DOI: 10.1016/j.fuel.2026.138577
Jieyuan Yang , Yang Yang , Kesheng Liang , Xiangfei Geng , Bin Ding , Ming Gao , Shuangxiang Ye , Zhiming Wu , Dalong Sun
Gas channeling during CO2 geological storage reduces sweep efficiency and increases leakage risk, while conventional anti-channeling agents suffer from limited stability and retention. In this study, a novel CO2-responsive in-situ mineralization plugging (RIMP) system, composed of aqueous ammonia (NH4OH) and calcium chloride (CaCl2), simultaneously achieves CO2 in-situ mineralization and mitigates channeling. The optimized RIMP formulation, determined through compatibility and mineralization capacity tests, demonstrated a CO2 mineralization capacity of 6.13 mg CO2/g RIMP with 1.6 wt% CaCl2 and 1.0 wt% NH4OH. Real-time monitoring of pH, mass change, Ca2+ concentration, and in-situ infrared spectra revealed a four-stage mineralization process governed by seven elementary reactions. XPS, XRD, SEM, and FTIR analyses showed that the mineralization product was composed of 84.4% calcite and 15.6% vaterite. Microscopic visualization and numerical simulations of in-situ CO2 mineralization in capillaries showed that CaCO3 particles form at the gas–liquid interface, diffuse into the liquid phase due to concentration gradients, and adhere to the capillary wall when the adsorption force dominates, resulting in localized accumulation. A reaction–diffusion model, established based on Fick’s law and the Stokes-Einstein equation, showed that the distribution of mineralization products is mainly influenced by shut-in periods and pore size. Coreflooding tests demonstrated that the RIMP system increased plugging efficiency from 65.25% to 88.16% after 40 h of shut-in, and CO2 storage and mineralization efficiencies improved by 26.3% and 23.5%, respectively, consistent with the reaction–diffusion model predictions. The CO2-responsive in-situ mineralization characteristic of RIMP offers a promising dual-function solution that mitigates gas channeling and enhances CO2 storage security through permanent mineral trapping.
在二氧化碳地质储存过程中,气体窜流降低了波及效率,增加了泄漏风险,而传统的防窜流剂的稳定性和保留率有限。在这项研究中,一种新型的CO2响应原位矿化堵堵(RIMP)系统,由水氨(NH4OH)和氯化钙(CaCl2)组成,同时实现CO2的原位矿化和减缓通道。优化后的RIMP配方,通过相容性和矿化能力测试确定,在1.6 wt% CaCl2和1.0 wt% NH4OH条件下,CO2矿化能力为6.13 mg CO2/g RIMP。实时监测pH、质量变化、Ca2+浓度和现场红外光谱显示,矿化过程由7种元素反应控制。XPS、XRD、SEM和FTIR分析表明,矿化产物中方解石含量为84.4%,水蛭石含量为15.6%。毛细管中CO2原位矿化的微观可视化和数值模拟表明,CaCO3颗粒在气液界面形成,由于浓度梯度扩散到液相中,吸附力占主导地位时附着在毛细管壁上,形成局部富集。基于Fick定律和Stokes-Einstein方程建立的反应扩散模型表明,矿化产物的分布主要受关井时间和孔隙大小的影响。岩心驱替试验表明,在关井40 h后,RIMP系统将封堵效率从65.25%提高到88.16%,二氧化碳储存和矿化效率分别提高了26.3%和23.5%,与反应扩散模型预测一致。RIMP的CO2响应原位矿化特性提供了一种很有前途的双重功能解决方案,可以通过永久的矿物捕获来缓解气体窜流并提高CO2储存的安全性。
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引用次数: 0
Improving anaerobic sludge digestion system combined with high quantity of polystyrene microplastics through adding magnetite 通过添加磁铁矿对高浓度聚苯乙烯微塑料复合厌氧污泥消化系统进行改进
IF 7.5 1区 工程技术 Q2 ENERGY & FUELS Pub Date : 2026-08-01 Epub Date: 2026-02-03 DOI: 10.1016/j.fuel.2026.138644
Dian Jiao , Gaige Liu , Zhisheng Liu , Tianzhen Feng , Xiangkun Li , Xiangjun Li
Polystyrene (PS) is a common microplastic can have toxic effects on the anaerobic digestion system of sludge by affecting the secretion of organic matter and volatile fatty acid, the activity of related enzymes, and the structure of microbial communities. Magnetite is a common conductive magnetic material can enhance anaerobic digestion of sludge. For the purpose to investigate the improvement of magnetite to an anaerobic digestion system inhibited by high quantity of PS microplastics, for anaerobic digestion of sludge were built and run with different conditions. The results demonstrated that high concentration microplastic stress of 300 particles/gTS initially inhibit VFAs synthesis, followed by further inhibition of protease and coenzyme F420 functions, ultimately leading to the accumulation of propionic acid/butyric acid and inhibiting anaerobic digestion for methane production, and an appropriate amount of magnetite (1 g/L) can effectively alleviate the methane production inhibition induced by microplastics (from 6.41 mlCH4/gVS∙d to 9.24 mlCH4/gVS∙d) through enhanced butyrate kinase activity and coupled with selective enrichment of Methanospirillum to optimize VFAs utilization. The microbial community reorganization supplemented by magnetite increased bacterial abundance and promoted the surface oxidation and fragmentation degree of PS. The findings reveal the addition of magnetite can alleviate the toxic effects of PS particles on the system and enhance its running performance.
聚苯乙烯(PS)是一种常见的微塑料,可通过影响污泥中有机物和挥发性脂肪酸的分泌、相关酶的活性以及微生物群落的结构,对污泥厌氧消化系统产生毒性作用。磁铁矿是一种常见的导电磁性材料,可以增强污泥的厌氧消化。为研究磁铁矿在高剂量PS微塑料抑制下对厌氧消化系统的改善作用,建立了污泥厌氧消化系统,并在不同条件下运行。结果表明,300颗粒/gTS的高浓度微塑性胁迫首先抑制了VFAs的合成,随后进一步抑制蛋白酶和辅酶F420的功能,最终导致丙酸/丁酸的积累,抑制了甲烷的厌氧消化。适量的磁铁矿(1 g/L)可以通过增强丁酸激酶活性和选择性富集甲烷螺旋菌来优化VFAs的利用,从而有效缓解微塑料诱导的产甲烷抑制(从6.41 mlCH4/gVS∙d降至9.24 mlCH4/gVS∙d)。添加磁铁矿后,微生物群落重组增加了PS的细菌丰度,促进了PS的表面氧化和破碎程度。研究结果表明,添加磁铁矿可以减轻PS颗粒对系统的毒性作用,提高系统的运行性能。
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引用次数: 0
Hydrodesulfurization catalysts for ultra-clean diesel: Recent progress, modulation strategies, and emerging alternatives 超清洁柴油加氢脱硫催化剂:最新进展、调制策略和新兴替代品
IF 7.5 1区 工程技术 Q2 ENERGY & FUELS Pub Date : 2026-08-01 Epub Date: 2026-02-03 DOI: 10.1016/j.fuel.2026.138542
Haihong Zhang, Chongchong Wu, Huiling Zhang, Ning Wang, Yu Song, Longnian Han, Siran Zhang, Mengjun Su, Jian Liu, Zhanggui Hou
The tightening of global environmental regulations and the growing emphasis on carbon neutrality have driven the petroleum industry to pursue ultra-clean fuels. Diesel, as a dominant transportation fuel, faces particularly stringent sulfur limits due to the adverse environmental and operational impacts of sulfur oxides. Hydrodesulfurization (HDS) remains the most mature and efficient industrial technology for producing low-sulfur diesel; however, the escalating demands for ultra-deep desulfurization and low-carbon operation have placed unprecedented challenges on catalyst performance. Despite significant advances in catalyst formulation, systematic reviews dedicated specifically to HDS catalyst development remain scarce. This review provides a comprehensive overview of recent progress in HDS catalysis, emphasizing strategies for modulating active phases, supports, and novel unsupported catalysts. The fundamental mechanisms governing desulfurization pathways are briefly summarized to establish the theoretical foundation for subsequent discussions. Recent advances in tuning metal–support interactions, tailoring acidity, and employing heteroatom or promoter modifications to enhance catalytic activity are critically analyzed. Support regulation strategies—including compositional modification of γ-Al2O3 and zeolite-based systems—are examined with attention to structure–performance correlations and industrial applicability. The review further explores the emerging class of unsupported catalysts, highlighting template-assisted synthesis and three-dimensional framework designs as promising directions. Finally, key scientific challenges and future prospects are outlined, aiming to provide guidance for the rational design of next-generation HDS catalysts that enable sustainable production of ultra-clean diesel.
全球环境法规的收紧和对碳中和的日益重视,促使石油行业追求超清洁燃料。由于硫氧化物对环境和操作的不利影响,柴油作为主要的运输燃料,面临着特别严格的硫限制。加氢脱硫(HDS)仍然是生产低硫柴油最成熟、最高效的工业技术;然而,超深度脱硫和低碳操作的需求不断增长,对催化剂性能提出了前所未有的挑战。尽管催化剂配方取得了重大进展,但专门针对HDS催化剂开发的系统综述仍然很少。本文综述了HDS催化的最新进展,重点介绍了调节活性相、载体和新型非载体催化剂的策略。简要总结了脱硫途径的基本机理,为后续讨论奠定了理论基础。最近的进展,调整金属支持的相互作用,调整酸度,并采用杂原子或启动子修饰,以提高催化活性进行了严格的分析。支持调节策略,包括γ-Al2O3和沸石为基础的系统的组成改性,研究了结构-性能相关性和工业适用性。综述进一步探讨了新兴的无负载催化剂,强调模板辅助合成和三维框架设计是有前途的方向。最后,概述了关键的科学挑战和未来前景,旨在为下一代HDS催化剂的合理设计提供指导,从而实现超清洁柴油的可持续生产。
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引用次数: 0
Improvement of surface hydrophilicity by nanometer oxides to promote aluminum-water reaction to generate hydrogen 纳米氧化物改善表面亲水性,促进铝-水反应生成氢
IF 7.5 1区 工程技术 Q2 ENERGY & FUELS Pub Date : 2026-08-01 Epub Date: 2026-02-03 DOI: 10.1016/j.fuel.2026.138586
Gen-Wang Ma , Xiao-Han Guo , Wei-Zhuo Gai , Yang Yang , Jie Zhang , Zheng-hui Pan , Zhen-Yan Deng
Aluminum (Al) is an active metal with a redox potential as low as of −1.66 V, but its surface passive oxide film prevents inner Al from contacting outside. In the past twenty years, Al surface modification by covering nanometer oxides was successfully used to activate Al so that it can rapidly generate hydrogen with water. However, the underlying mechanism is controversial so far. In this work, a model experiment was done by soaking and heat-treating Al sheet and powder so that a layer of porous nanometer γ-Al2O3 or Al(OH)3 covers on Al surfaces. It was found that there is a sharp wettability transition from hydrophobic on pristine Al surfaces to hydrophilic on modified Al. The contact angle of water droplet decreases from ∼ 90° to 30-40° and underwater hydrogen bubble contact angle increases from ∼ 125° to ∼ 180° after Al surface modification. Nanometer porous structures on modified Al surfaces push water towards inner Al such that the hydration process of Al surface passive oxide film is speeded up, and hydrogen bubble adhesion force decreases from > 100 μN on pristine Al surfaces to almost zero on modified Al, leading to a shorter induction time for the beginning of Al-water reaction to generate hydrogen. Cyclic voltammetry tests and electrochemical impedance spectroscopy showed that Al surface modification enhances the current density and reduces the charge transfer resistance, which are beneficial to Al reduction reaction. The present study provides a new mechanism and route for Al activation in hydrogen generation.
铝(Al)是一种活性金属,其氧化还原电位低至- 1.66 V,但其表面的钝化氧化膜阻止了内部Al与外部接触。近二十年来,通过覆盖纳米氧化物对铝表面进行改性,成功地激活了铝,使其能与水快速生成氢。然而,到目前为止,潜在的机制是有争议的。本文通过对Al片材和粉末进行浸泡和热处理,在Al表面覆盖一层多孔的纳米γ-Al2O3或Al(OH)3,进行了模型实验。结果表明,改性铝表面的润湿性发生了急剧转变,从原始铝表面的疏水性到改性铝表面的亲水性。改性铝表面后,水滴接触角从~ 90°减小到30-40°,水下气泡接触角从~ 125°增加到~ 180°。改性铝表面的纳米孔结构将水推入铝内部,加速了铝表面被动氧化膜的水化过程,氢泡附着力从原始铝表面的100 μN减小到改性铝表面的几乎为零,从而缩短了铝水反应开始生成氢的诱导时间。循环伏安测试和电化学阻抗谱分析表明,铝表面改性提高了电流密度,降低了电荷转移阻力,有利于铝还原反应的进行。本研究为铝在制氢过程中的活化提供了新的机理和途径。
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引用次数: 0
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