Fuel最新文献_第6页

Effects of pore structures of carbon paper on water management capability of a proton exchange membrane fuel cell

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-03-03 DOI: 10.1016/j.fuel.2025.134910

Yu-Ting Liu , Guo-Bao Huang , Xiao-Fang Zhang , Ting-Ting Yao , Li-Xia Cheng , Hong Zhu , Gang-Ping Wu

Gas diffusion layers (GDLs) are critical to optimizing water management capability; however, carbon papers (CPs), as the substrates that provide channels for two-phase counter flows of reactant gases and product water, have rarely been reported for controlling product water. In this study, gradient pore structures were introduced into CPs for GDLs to control the driving forces of water using the capillary pressure gradient. The results showed that the gradual increase in the pore sizes of the CPs from the microporous layer (MPL) to the bipolar plate (BP) side significantly improved the electrochemical performance, regardless of humidity. At 100 % relative humidity (RH), the maximum power density of the membrane electrode assembly (MEA) whose CP pore sizes gradually increased from the MPL side to the BP side reached 1.78 W·cm⁻² under H₂-O₂ condition, 40.16 % higher than that of the counterpart with uniform CP pore sizes, and 1.28 W·cm⁻² under H₂-air condition, 85.51 % higher than that with uniform CP pore sizes. The maximum current density increases under both wet and dry conditions. The mechanisms revealed that under dry conditions, the relatively smaller pores in the CPs close to the MPL side enhanced the water retention and thus maintained the proton conductivity; under wet conditions, the CP pores that were gradually enlarged from the MPL to the BP side enabled the capillary pressure gradient to guide the product water from the MPL flowing into and through the CP, and thus out of the GDLs.

{"title":"Effects of pore structures of carbon paper on water management capability of a proton exchange membrane fuel cell","authors":"Yu-Ting Liu , Guo-Bao Huang , Xiao-Fang Zhang , Ting-Ting Yao , Li-Xia Cheng , Hong Zhu , Gang-Ping Wu","doi":"10.1016/j.fuel.2025.134910","DOIUrl":"10.1016/j.fuel.2025.134910","url":null,"abstract":"<div><div>Gas diffusion layers (GDLs) are critical to optimizing water management capability; however, carbon papers (CPs), as the substrates that provide channels for two-phase counter flows of reactant gases and product water, have rarely been reported for controlling product water. In this study, gradient pore structures were introduced into CPs for GDLs to control the driving forces of water using the capillary pressure gradient. The results showed that the gradual increase in the pore sizes of the CPs from the microporous layer (MPL) to the bipolar plate (BP) side significantly improved the electrochemical performance, regardless of humidity. At 100 % relative humidity (RH), the maximum power density of the membrane electrode assembly (MEA) whose CP pore sizes gradually increased from the MPL side to the BP side reached 1.78 W·cm−2 under H2-O2 condition, 40.16 % higher than that of the counterpart with uniform CP pore sizes, and 1.28 W·cm−2 under H2-air condition, 85.51 % higher than that with uniform CP pore sizes. The maximum current density increases under both wet and dry conditions. The mechanisms revealed that under dry conditions, the relatively smaller pores in the CPs close to the MPL side enhanced the water retention and thus maintained the proton conductivity; under wet conditions, the CP pores that were gradually enlarged from the MPL to the BP side enabled the capillary pressure gradient to guide the product water from the MPL flowing into and through the CP, and thus out of the GDLs.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"392 ","pages":"Article 134910"},"PeriodicalIF":6.7,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143551643","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

Identification of active sites for formaldehyde oxidation on mesoporous Pt/CeO2 catalyst at ambient temperature and low humidity 鉴定介孔 Pt/CeO2 催化剂在常温低湿条件下的甲醛氧化活性位点

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-03-03 DOI: 10.1016/j.fuel.2025.134905

Ruichen Wang , Chao Yu , Juanjuan Gong , Qingfa Su , Hui Chen , Canyan Yang , Shaodi Sun , Zhiwei Huang , Huazhen Shen , Huawang Zhao , Bihong Lv , Xiaomin Wu , Guohua Jing

Identification of active sites governing the performance of indoor formaldehyde (HCHO) oxidation at ambient temperature and low humidity is crucial for developing improved catalysts, but remains challenging. It has recently been discovered that the effective dissociation of water is of importance for HCHO oxidation at low humidity. Here, we have elaborately designed a Pt supported on three-dimensionally ordered mesoporous CeO₂ catalyst (Pt/kit-CeO₂). The Pt/kit-CeO₂ catalyst achieves ∼ 95 % CO₂ yield for a long time. The results indicate that the abundant oxygen vacancies and single coordination-unsaturated Ce sites on mesoporous CeO₂ enhance H₂O dissociation, leading to the generation of a substantial amount of terminal hydroxyl groups (OH_t). These OH_t groups promote the oxidation of intermediate dioxymethylene (DOM) and formate species, thereby regulating the catalytic activity. Additionally, the dispersed Pt facilitates the activation of O₂, generating active oxygen species (O*) that work synergistically with OH_t groups to promote the conversion of formates into CO₂. The in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) further elucidated the mechanism of catalyst promoting HCHO oxidation: HCHO (+O*) → DOM (+OH_t) → HCOO^–/HCOOH (+OH_t/O*) → CO₃^2–→ CO₂. We anticipate that this knowledge will inspire the development of Pt-based catalysts specifically tailored for low humidity.

确定室内甲醛（HCHO）在环境温度和低湿度下氧化性能的活性位点，对于开发改良催化剂至关重要，但仍然具有挑战性。最近发现，水的有效解离对低湿度下的 HCHO 氧化非常重要。在此，我们精心设计了一种以三维有序介孔 CeO2 为载体的铂催化剂（Pt/kit-CeO2）。Pt/kit-CeO2 催化剂可长期达到 95% 的 CO2 收率。研究结果表明，介孔 CeO2 上丰富的氧空位和单一配位不饱和 Ce 位点增强了 H2O 的解离，从而产生了大量的末端羟基（OHt）。这些 OHt 基团可促进中间二氧亚甲基（DOM）和甲酸盐的氧化，从而调节催化活性。此外，分散的铂还能促进 O2 的活化，产生活性氧（O*），与 OHt 基团协同作用，促进甲酸盐转化为 CO2。原位漫反射红外傅立叶变换光谱（DRIFTS）进一步阐明了催化剂促进 HCHO 氧化的机理：HCHO（+O*）→DOM（+OHt）→HCOO-/HCOOH（+OHt/O*）→CO32-→CO2。我们预计这些知识将有助于开发专门针对低湿环境的铂基催化剂。

{"title":"Identification of active sites for formaldehyde oxidation on mesoporous Pt/CeO2 catalyst at ambient temperature and low humidity","authors":"Ruichen Wang , Chao Yu , Juanjuan Gong , Qingfa Su , Hui Chen , Canyan Yang , Shaodi Sun , Zhiwei Huang , Huazhen Shen , Huawang Zhao , Bihong Lv , Xiaomin Wu , Guohua Jing","doi":"10.1016/j.fuel.2025.134905","DOIUrl":"10.1016/j.fuel.2025.134905","url":null,"abstract":"<div><div>Identification of active sites governing the performance of indoor formaldehyde (HCHO) oxidation at ambient temperature and low humidity is crucial for developing improved catalysts, but remains challenging. It has recently been discovered that the effective dissociation of water is of importance for HCHO oxidation at low humidity. Here, we have elaborately designed a Pt supported on three-dimensionally ordered mesoporous CeO2 catalyst (Pt/kit-CeO2). The Pt/kit-CeO2 catalyst achieves ∼ 95 % CO2 yield for a long time. The results indicate that the abundant oxygen vacancies and single coordination-unsaturated Ce sites on mesoporous CeO2 enhance H2O dissociation, leading to the generation of a substantial amount of terminal hydroxyl groups (OHt). These OHt groups promote the oxidation of intermediate dioxymethylene (DOM) and formate species, thereby regulating the catalytic activity. Additionally, the dispersed Pt facilitates the activation of O2, generating active oxygen species (O*) that work synergistically with OHt groups to promote the conversion of formates into CO2. The in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) further elucidated the mechanism of catalyst promoting HCHO oxidation: HCHO (+O*) → DOM (+OHt) → HCOO–/HCOOH (+OHt/O*) → CO32–→ CO2. We anticipate that this knowledge will inspire the development of Pt-based catalysts specifically tailored for low humidity.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"392 ","pages":"Article 134905"},"PeriodicalIF":6.7,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143529068","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

Halloysite-templated hydrophilic carbon tubes wrapped with FeNi3 for the acceleration of electrocatalytic nitrate reduction to ammonia 用 FeNi3 包裹的霍洛石模板亲水碳管用于加速硝酸盐还原成氨的电催化过程

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-03-03 DOI: 10.1016/j.fuel.2025.134896

Hao Zhang , Pengfei Zhang , Xin Yan , Xiangchao Zhang , Chunfang Du

Electrocatalytic nitrate (NO₃^–) to ammonia (NH₃) can solve NO₃^– pollution and produce high value-added NH₃, which can serve as a potential alternative for the Haber-Bosch process. In this study, halloysite nanotubes (HNTs) with the unique tubular morphology and immense available reserve were used as hard template to prepare carbon tubes (CTs) for loading FeNi₃ (FeNi₃/CT-700), which was applied for electrocatalytic nitrate reduction reaction (NO₃RR). The maximum ammonia yield of FeNi₃/CT-700 was up to 9.3 mg h⁻¹ cm⁻² (−1.2 V vs. RHE) and the faraday efficiency (FE) of 96.8 % was achieved in 0.1 M PBS containing 0.1 M KNO₃ electrolyte at −0.9 V vs. RHE. The obtained ammonia yield was greatly higher than the counterparts of pure FeNi₃ (2.4 mg h⁻¹ cm⁻²) and FeNi₃ supported on commercial carbon nanotubes (FeNi₃/CNT, 2.9 mg h⁻¹ cm⁻²). The carbonized CT could substantially improve the hydrophilicity of FeNi₃/CT-700 and contributed an appropriate number of defects serving as active sites to accelerate the reaction, both of which were responsible for the enhanced NO₃RR performance. This study not only provides an efficient electrocatalyst for NO₃RR, but also explores the important role of natural minerals with special morphology in electrocatalysis.

电催化硝酸（NO3-）制氨（NH3）可解决 NO3-污染问题，并产生高附加值的 NH3，可作为哈伯-博什工艺的潜在替代品。本研究以具有独特管状形态和巨大可用储量的埃洛石纳米管（HNTs）为硬模板，制备了用于负载 FeNi3（FeNi3/CT-700）的碳管（CTs），并将其应用于电催化硝酸盐还原反应（NO3RR）。在含有 0.1 M KNO3 的 0.1 M PBS 电解液中，FeNi3/CT-700 的最大氨产量可达 9.3 mg h-1 cm-2（-1.2 V vs. RHE），法拉第效率（FE）为 96.8 %（-0.9 V vs. RHE）。获得的氨产量大大高于纯 FeNi3（2.4 mg h-1 cm-2）和商业碳纳米管支撑的 FeNi3（FeNi3/CNT，2.9 mg h-1 cm-2）。碳化 CT 可大幅提高 FeNi3/CT-700 的亲水性，并提供适当数量的缺陷作为活性位点以加速反应，这两者都是提高 NO3RR 性能的原因。这项研究不仅为 NO3RR 提供了一种高效的电催化剂，还探索了具有特殊形态的天然矿物在电催化中的重要作用。

{"title":"Halloysite-templated hydrophilic carbon tubes wrapped with FeNi3 for the acceleration of electrocatalytic nitrate reduction to ammonia","authors":"Hao Zhang , Pengfei Zhang , Xin Yan , Xiangchao Zhang , Chunfang Du","doi":"10.1016/j.fuel.2025.134896","DOIUrl":"10.1016/j.fuel.2025.134896","url":null,"abstract":"<div><div>Electrocatalytic nitrate (NO3–) to ammonia (NH3) can solve NO3– pollution and produce high value-added NH3, which can serve as a potential alternative for the Haber-Bosch process. In this study, halloysite nanotubes (HNTs) with the unique tubular morphology and immense available reserve were used as hard template to prepare carbon tubes (CTs) for loading FeNi3 (FeNi3/CT-700), which was applied for electrocatalytic nitrate reduction reaction (NO3RR). The maximum ammonia yield of FeNi3/CT-700 was up to 9.3 mg h−1 cm−2 (−1.2 V vs. RHE) and the faraday efficiency (FE) of 96.8 % was achieved in 0.1 M PBS containing 0.1 M KNO3 electrolyte at −0.9 V vs. RHE. The obtained ammonia yield was greatly higher than the counterparts of pure FeNi3 (2.4 mg h−1 cm−2) and FeNi3 supported on commercial carbon nanotubes (FeNi3/CNT, 2.9 mg h−1 cm−2). The carbonized CT could substantially improve the hydrophilicity of FeNi3/CT-700 and contributed an appropriate number of defects serving as active sites to accelerate the reaction, both of which were responsible for the enhanced NO3RR performance. This study not only provides an efficient electrocatalyst for NO3RR, but also explores the important role of natural minerals with special morphology in electrocatalysis.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"392 ","pages":"Article 134896"},"PeriodicalIF":6.7,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143529075","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

Experimental study on the relationship between the molecular structure and droplet combustion/flame characteristics of various alkane hydrocarbon fuels

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-03-03 DOI: 10.1016/j.fuel.2025.134645

Taisei Takaoka , Rin Nakamura , Hiroto Habu

A detailed experimental study was conducted on the combustion characteristics and flame shape of single droplets of 19 alkane hydrocarbon fuels at room temperature and atmospheric pressure under normal gravity. The diameter of the suspended droplets and the flame shape were photographed using a high-speed camera, and the resulting continuous images were analyzed. During combustion, all the fuel droplets maintained a spherical shape and all exhibited D²-law curve characteristics. The ignition delay time of the droplets tended to increase in the order of N-alkanes, cycloalkanes with one cyclohexyl, bicycloalkanes with two cyclohexyls, and isoalkanes. The burning rate constant K_d was largest for isoalkanes, which have low boiling points, high combustion heat and high vapor pressure, and decreased in order of N-alkanes, cycloalkanes and bicycloalkanes. In addition, detailed analysis of flame height H_f was carried out for all fuels, and it was found that the square value of H_f changed linearly with time during the second half (70%) of the entire period of stable combustion. The flame height H_f at time t can be expressed using a first-order approximation formula like the D² −law, using the flame height change rate K_f obtained from the analysis of the experimental results. This flame height change rate K_f increased in the order of N-alkanes, cycloalkanes, bicycloalkanes, and isoalkanes, and a different trend was obtained from the order of the burning rate constants K_d. Furthermore, a positive correlation was obtained between the initial droplet diameter and the flame height change rate K_f.

{"title":"Experimental study on the relationship between the molecular structure and droplet combustion/flame characteristics of various alkane hydrocarbon fuels","authors":"Taisei Takaoka , Rin Nakamura , Hiroto Habu","doi":"10.1016/j.fuel.2025.134645","DOIUrl":"10.1016/j.fuel.2025.134645","url":null,"abstract":"<div><div>A detailed experimental study was conducted on the combustion characteristics and flame shape of single droplets of 19 alkane hydrocarbon fuels at room temperature and atmospheric pressure under normal gravity. The diameter of the suspended droplets and the flame shape were photographed using a high-speed camera, and the resulting continuous images were analyzed. During combustion, all the fuel droplets maintained a spherical shape and all exhibited D2-law curve characteristics. The ignition delay time of the droplets tended to increase in the order of N-alkanes, cycloalkanes with one cyclohexyl, bicycloalkanes with two cyclohexyls, and isoalkanes. The burning rate constant Kd was largest for isoalkanes, which have low boiling points, high combustion heat and high vapor pressure, and decreased in order of N-alkanes, cycloalkanes and bicycloalkanes. In addition, detailed analysis of flame height Hf was carried out for all fuels, and it was found that the square value of Hf changed linearly with time during the second half (70%) of the entire period of stable combustion. The flame height Hf at time t can be expressed using a first-order approximation formula like the D2 −law, using the flame height change rate Kf obtained from the analysis of the experimental results. This flame height change rate Kf increased in the order of N-alkanes, cycloalkanes, bicycloalkanes, and isoalkanes, and a different trend was obtained from the order of the burning rate constants Kd. Furthermore, a positive correlation was obtained between the initial droplet diameter and the flame height change rate Kf.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"392 ","pages":"Article 134645"},"PeriodicalIF":6.7,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143529070","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Bubble growth in composite water/fuel droplets: Effect on timing of their puffing/micro-explosion

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-03-03 DOI: 10.1016/j.fuel.2025.134696

Andrey A. Chernov , Dmitrii V. Antonov , Aleksandr N. Pavlenko , Tali Bar-Kohany , Pavel A. Strizhak , Sergei S. Sazhin

The existing models of bubble growth are reviewed with a view to their possible application to the study of puffing/micro-explosion in composite water/fuel droplets. A simplified version of the Chernov et al. model in the limit of

Ja ≫ 1

is demonstrated to be the most suitable for this from the point of view of its simplicity and accuracy. This model is applied to the analysis of timing of puffing/micro-explosion in composite water/n-dodecane droplets placed in air at temperatures varying from 500 to 1000 K. The times to puffing/micro-explosion and bubble growth times for these droplets were obtained based on experiments performed at the National Research Tomsk Polytechnic University. The bubble growth times predicted by this model are shown to be reasonably close to the experimental results. Also the values of these times are very close to those predicted by the direct numerical solution of the underlying equations.

引用次数: 0

Probing the synergistic effect of MXene (Ti3C2Tx) and MWCNTs on NiWO4 for superior water-splitting and supercapacitor studies

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-03-03 DOI: 10.1016/j.fuel.2025.134811

Amna Irshad , Mirza Mahmood Baig , Seung Goo Lee , Imran Shakir , Zeid A. ALOthman , Muhammad Farooq Warsi , Muhammad Shahid

The main focus of the ongoing worldwide research is the production and storage of green energy via electrochemical study. MXene (2D) and multi-walled carbon nanotubes (MWCNTs (1D)) play enormous roles in enhancing the efficiency of nanomaterials for electrochemical measurements. A wet chemical approach is employed to synthesize NiWO₄. The nanocomposite of NiWO₄ with MXene and MWCNTs is prepared via ultrasonication approach. Structural, morphological and elemental aspects of the prepared samples are investigated via different characterization techniques. Hydrogen and oxygen evolution reactions are performed in an alkaline solution. NiWO₄/MXene@CNTs shows Tafel slope of 77 and 91 mV/dec for HER and OER, respectively. Supercapacitor performance is evaluated via cyclic voltammetry (CV) and galvanostatic charge–discharge (GCD) experiments. The current response shown by the materials is best analyzed through CV measurements. NiWO₄/MXene@CNTs composite exhibits discharge time of 500 s as compared to NiWO₄ (276 s) and NiWO₄/MXene (390 s). NiWO₄/MXene@CNTs composite shows specific capacitance and retention of 1250 F/g and 80 %, respectively. The resistance faced by the materials during electrochemical measurements is analyzed using electrochemical impedance spectroscopy. MXene and MWCNTs boost the efficiency of NiWO₄ via synergistic effect and make it a potential material for water splitting and supercapacitor study.

{"title":"Probing the synergistic effect of MXene (Ti3C2Tx) and MWCNTs on NiWO4 for superior water-splitting and supercapacitor studies","authors":"Amna Irshad , Mirza Mahmood Baig , Seung Goo Lee , Imran Shakir , Zeid A. ALOthman , Muhammad Farooq Warsi , Muhammad Shahid","doi":"10.1016/j.fuel.2025.134811","DOIUrl":"10.1016/j.fuel.2025.134811","url":null,"abstract":"<div><div>The main focus of the ongoing worldwide research is the production and storage of green energy via electrochemical study. MXene (2D) and multi-walled carbon nanotubes (MWCNTs (1D)) play enormous roles in enhancing the efficiency of nanomaterials for electrochemical measurements. A wet chemical approach is employed to synthesize NiWO4. The nanocomposite of NiWO4 with MXene and MWCNTs is prepared via ultrasonication approach. Structural, morphological and elemental aspects of the prepared samples are investigated via different characterization techniques. Hydrogen and oxygen evolution reactions are performed in an alkaline solution. NiWO4/MXene@CNTs shows Tafel slope of 77 and 91 mV/dec for HER and OER, respectively. Supercapacitor performance is evaluated via cyclic voltammetry (CV) and galvanostatic charge–discharge (GCD) experiments. The current response shown by the materials is best analyzed through CV measurements. NiWO4/MXene@CNTs composite exhibits discharge time of 500 s as compared to NiWO4 (276 s) and NiWO4/MXene (390 s). NiWO4/MXene@CNTs composite shows specific capacitance and retention of 1250 F/g and 80 %, respectively. The resistance faced by the materials during electrochemical measurements is analyzed using electrochemical impedance spectroscopy. MXene and MWCNTs boost the efficiency of NiWO4 via synergistic effect and make it a potential material for water splitting and supercapacitor study.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"392 ","pages":"Article 134811"},"PeriodicalIF":6.7,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143529069","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

Experimental and quantum chemical study of synergistic inhibitor based on physicochemical interaction in the prevention of coal spontaneous combustion

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-03-03 DOI: 10.1016/j.fuel.2025.134839

Hongqing Zhu, Jiashuo Wang, Rui Li, Linhao Xie, Lei Zhang, Erhui Zhang, Lintao Hu

Coal spontaneous combustion (CSC) poses significant risks to safe coal mining, ecological protection, and carbon neutrality goals. Inhibitors are a key method for preventing CSC in industrial and mining operations. This study proposes using reduced glutathione (GSH) as an antioxidant inhibitor to prepare a physicochemical synergistic inhibitor. The inhibition characteristics of MgCl₂-GSH were assessed using programmed temperature rise and simultaneous thermal analysis. The results show that the optimal performance occurs at a MgCl₂ to GSH ratio 1:7, achieving a 54.59 % to 78.61 % inhibition rate, with the lowest CO and CO₂ emissions and reduced O₂ consumption. The ignition point and burnout temperature are delayed by 9.56 °C and 31.16 °C, respectively, while apparent activation energies during pyrolysis and combustion increase by 20.79 % and 9.57 %, respectively. Quantum chemical calculations confirm that GSH effectively captures reactive radicals in coal (·CH₃, RCH₂·, RCH₂OO·, RCH₂O·, and ·OH), converting them into stable, inert groups with low energy barriers. This study offers new theoretical insights into preventing CSC and developing efficient synergistic inhibitors.

{"title":"Experimental and quantum chemical study of synergistic inhibitor based on physicochemical interaction in the prevention of coal spontaneous combustion","authors":"Hongqing Zhu, Jiashuo Wang, Rui Li, Linhao Xie, Lei Zhang, Erhui Zhang, Lintao Hu","doi":"10.1016/j.fuel.2025.134839","DOIUrl":"10.1016/j.fuel.2025.134839","url":null,"abstract":"<div><div>Coal spontaneous combustion (CSC) poses significant risks to safe coal mining, ecological protection, and carbon neutrality goals. Inhibitors are a key method for preventing CSC in industrial and mining operations. This study proposes using reduced glutathione (GSH) as an antioxidant inhibitor to prepare a physicochemical synergistic inhibitor. The inhibition characteristics of MgCl2-GSH were assessed using programmed temperature rise and simultaneous thermal analysis. The results show that the optimal performance occurs at a MgCl2 to GSH ratio 1:7, achieving a 54.59 % to 78.61 % inhibition rate, with the lowest CO and CO2 emissions and reduced O2 consumption. The ignition point and burnout temperature are delayed by 9.56 °C and 31.16 °C, respectively, while apparent activation energies during pyrolysis and combustion increase by 20.79 % and 9.57 %, respectively. Quantum chemical calculations confirm that GSH effectively captures reactive radicals in coal (·CH3, RCH2·, RCH2OO·, RCH2O·, and ·OH), converting them into stable, inert groups with low energy barriers. This study offers new theoretical insights into preventing CSC and developing efficient synergistic inhibitors.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"392 ","pages":"Article 134839"},"PeriodicalIF":6.7,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143529073","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

Influence of zinc ferrite nanocomposites for enhancing biohydrogen production during distillery wastewater treatment in microbial electrolysis cell

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-03-03 DOI: 10.1016/j.fuel.2025.134872

Jayachitra Murugaiyan, Anantharaman Narayanan, Samsudeen Naina Mohamed

Microbial Electrolysis Cell (MEC) has a strong potential for biohydrogen production by utilizing organic matter in the wastewater and thus pave the way for sustainable remediation approach. Developing efficient cathode catalysts is essential for enhancing hydrogen production in MECs, as observed in this study with the prepared cathode materials. ZnFe₂O₄ was synthesized through the co-precipitation technique, while GGO was produced from waste biomass (vegetables waste). The synthesized Zinc ferrite/Green graphene oxide (ZnFe₂O₄.GGO) nanocomposite (4:1 ratio) cathode catalyst was characterised to confirm the presence of the desired components and their interactions. ZnFe₂O₄.GGO showed better ionic conductivity and ion diffusion as compared to pure ZnFe₂O₄.The experimental results showed that the ZnFe₂O₄.GGO nanocomposite-coated cathode produced a maximum hydrogen yield of 2.279 ± 0.05 mmol/L.D as compared to ZnFe₂O₄ (1.966 ± 0.02 mmol/L.D), GGO (1.564 ± 0.03 mmol/L.D) and plain NF (0.938 ± 0.02 mmol/L.D) respectively. This study brings new insights into the synthesis of functional cathode catalyst that can improve the simultaneous hydrogen production and wastewater treatment in the MEC.

{"title":"Influence of zinc ferrite nanocomposites for enhancing biohydrogen production during distillery wastewater treatment in microbial electrolysis cell","authors":"Jayachitra Murugaiyan, Anantharaman Narayanan, Samsudeen Naina Mohamed","doi":"10.1016/j.fuel.2025.134872","DOIUrl":"10.1016/j.fuel.2025.134872","url":null,"abstract":"<div><div>Microbial Electrolysis Cell (MEC) has a strong potential for biohydrogen production by utilizing organic matter in the wastewater and thus pave the way for sustainable remediation approach. Developing efficient cathode catalysts is essential for enhancing hydrogen production in MECs, as observed in this study with the prepared cathode materials. ZnFe2O4 was synthesized through theco-precipitation technique, while GGO was produced from waste biomass (vegetables waste). The synthesized Zinc ferrite/Green graphene oxide (ZnFe2O4.GGO) nanocomposite (4:1 ratio) cathode catalyst was characterised to confirm the presence of the desired components and their interactions. ZnFe2O4.GGO showed better ionic conductivity and ion diffusion as compared to pure ZnFe2O4.The experimental results showed that the ZnFe2O4.GGO nanocomposite-coated cathode produced a maximum hydrogen yield of 2.279 ± 0.05 mmol/L.D as compared to ZnFe2O4 (1.966 ± 0.02 mmol/L.D), GGO (1.564 ± 0.03 mmol/L.D) and plain NF (0.938 ± 0.02 mmol/L.D) respectively. This study brings new insights into the synthesis of functional cathode catalyst that can improve the simultaneous hydrogen production and wastewater treatment in the MEC.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"392 ","pages":"Article 134872"},"PeriodicalIF":6.7,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143551645","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

Core-shell synergistic effect to construct a novel ADN-based composite material with excellent anti-hygroscopicity and high energy release effect

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-03-02 DOI: 10.1016/j.fuel.2025.134894

Shaozhu Yin , Chengyuan Hua , Baoyun Ye , Kang Niu , Xuan Zhan , Jingyu Wang , Chongwei An

In recent years, a novel propellant oxidizer, ammonium dinitramide (ADN), has attracted significant attention due to its advantages in energy release and environmental friendliness. However, its practical application is seriously affected by its strong hygroscopicity. To address this issue, this study designed and prepared new energetic composite particles, ADN@HMX, with a core–shell structure using the Pickering emulsion method, where nano-energetic particles served as surfactants. The morphology, structure, thermal properties, hygroscopicity, mechanical sensitivity, energy, and combustion performance of ADN@HMX were investigated. The results showed that the prepared composite particles have regular spherical-like morphology and HMX is attached to the surface of ADN crystals. The crystal structure of ADN was not damaged by the Pickering emulsion method. The nano HMX catalyzed the thermal decomposition of ADN, which lowered the thermal decomposition temperature of ADN@HMX by 7–10 °C. The hygroscopicity of ADN@HMX is greatly reduced compared with ADN, and the water contact angle is significantly improved. Especially, the hygroscopicity of ADN@(15 wt%) HMX-6.0 is about 80 % lower than raw ADN, and the contact angle is 98.92°. The calculated specific impulse of ADN@HMX was also improved. Combustion tests indicate that ADN@HXM exhibits faster energy release and higher combustion rates. The ADN@HXM samples were successfully ignited and maintained stable combustion after being exposed to 68 % relative humidity for 6 h. These findings indicate that ADN@HMX exhibits excellent hygroscopic resistance, reduced mechanical sensitivity, and stable combustion performance, making it a promising candidate as a superior alternative to ADN in propellant applications.

{"title":"Core-shell synergistic effect to construct a novel ADN-based composite material with excellent anti-hygroscopicity and high energy release effect","authors":"Shaozhu Yin , Chengyuan Hua , Baoyun Ye , Kang Niu , Xuan Zhan , Jingyu Wang , Chongwei An","doi":"10.1016/j.fuel.2025.134894","DOIUrl":"10.1016/j.fuel.2025.134894","url":null,"abstract":"<div><div>In recent years, a novel propellant oxidizer, ammonium dinitramide (ADN), has attracted significant attention due to its advantages in energy release and environmental friendliness. However, its practical application is seriously affected by its strong hygroscopicity. To address this issue, this study designed and prepared new energetic composite particles, ADN@HMX, with a core–shell structure using the Pickering emulsion method, where nano-energetic particles served as surfactants. The morphology, structure, thermal properties, hygroscopicity, mechanical sensitivity, energy, and combustion performance of ADN@HMX were investigated. The results showed that the prepared composite particles have regular spherical-like morphology and HMX is attached to the surface of ADN crystals. The crystal structure of ADN was not damaged by the Pickering emulsion method. The nano HMX catalyzed the thermal decomposition of ADN, which lowered the thermal decomposition temperature of ADN@HMX by 7–10 °C. The hygroscopicity of ADN@HMX is greatly reduced compared with ADN, and the water contact angle is significantly improved. Especially, the hygroscopicity of ADN@(15 wt%) HMX-6.0 is about 80 % lower than raw ADN, and the contact angle is 98.92°. The calculated specific impulse of ADN@HMX was also improved. Combustion tests indicate that ADN@HXM exhibits faster energy release and higher combustion rates. The ADN@HXM samples were successfully ignited and maintained stable combustion after being exposed to 68 % relative humidity for 6 h. These findings indicate that ADN@HMX exhibits excellent hygroscopic resistance, reduced mechanical sensitivity, and stable combustion performance, making it a promising candidate as a superior alternative to ADN in propellant applications.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"392 ","pages":"Article 134894"},"PeriodicalIF":6.7,"publicationDate":"2025-03-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143529216","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

Cu-Thioamide coordination polymers derived Cu-S catalysts for CO2 electroreduction to formate 用于二氧化碳电还原甲酸盐的硫代铜酰胺配位聚合物衍生铜-S 催化剂

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-03-02 DOI: 10.1016/j.fuel.2025.134711

Honglin Li , Xin Zhang , Yuanyuan Wen , Jingyuan Li , Yu Liu , Hongjun Mao , Hongman Sun , Jingbin Zeng , Zifeng Yan

Sulfur-doped copper (S-doped Cu) was regarded as an efficient catalyst for formate in CO₂ electrochemical reduction reaction (CO₂RR), but the selectivity and current density are still unsatisfied due to the hydrogen evolution reaction (HER) and CO generation pathway. Herein, S-doped Cu nanoparticles were synthesized by in-situ reduction of the constructed Cu-thioamide coordination polymers, exhibiting impressive performance for formate production in the CO₂RR process. Particularly, the CuBr-thiobenzamide (TBA) coordination polymers derived S-doped Cu nanoparticles (CuBr-TBA-R) achieve a formate Faradaic efficiency of 84.4 % with current density of formate to 6.7 mA cm⁻². The characterization results indicate these generated S-doped Cu nanoparticles are uniform with the particle size of 20–30 nm exposed a large amount of Cu (100) facets due to the coordination of thioamide molecules and presence of Br^- and I^- in electrolyte. The morphological characteristics and strong affinity for oxygen is the reason of higher formate selectivity and current density. This finding reveals the characterizations of efficient S-doped Cu catalysts for formate and provide a controllable approach to prepare these catalysts.

掺硫铜（S-doped Cu）被认为是二氧化碳电化学还原反应（CO2RR）中甲酸盐的高效催化剂，但由于氢进化反应（HER）和二氧化碳生成途径的影响，其选择性和电流密度仍不能令人满意。本文通过原位还原构建的铜硫酰胺配位聚合物合成了掺杂S的铜纳米粒子，在CO2RR过程中生产甲酸盐方面表现出令人瞩目的性能。特别是由 CuBr-thiobenzamide (TBA) 配位聚合物衍生的 S 掺杂铜纳米粒子（CuBr-TBA-R），在甲酸电流密度为 6.7 mA cm-2 时，甲酸法拉第效率达到 84.4%。表征结果表明，由于硫代酰胺分子的配位以及电解液中 Br- 和 I- 的存在，生成的 S 掺杂铜纳米粒子粒径为 20-30 nm，具有大量的铜 (100) 面。这种形态特征和对氧的强亲和力是甲酸选择性和电流密度较高的原因。这一发现揭示了掺杂 S 的高效甲酸铜催化剂的特性，并为制备这些催化剂提供了一种可控方法。

{"title":"Cu-Thioamide coordination polymers derived Cu-S catalysts for CO2 electroreduction to formate","authors":"Honglin Li , Xin Zhang , Yuanyuan Wen , Jingyuan Li , Yu Liu , Hongjun Mao , Hongman Sun , Jingbin Zeng , Zifeng Yan","doi":"10.1016/j.fuel.2025.134711","DOIUrl":"10.1016/j.fuel.2025.134711","url":null,"abstract":"<div><div>Sulfur-doped copper (S-doped Cu) was regarded as an efficient catalyst for formate in CO2 electrochemical reduction reaction (CO2RR), but the selectivity and current density are still unsatisfied due to the hydrogen evolution reaction (HER) and CO generation pathway. Herein, S-doped Cu nanoparticles were synthesized by in-situ reduction of the constructed Cu-thioamide coordination polymers, exhibiting impressive performance for formate production in the CO2RR process. Particularly, the CuBr-thiobenzamide (TBA) coordination polymers derived S-doped Cu nanoparticles (CuBr-TBA-R) achieve a formate Faradaic efficiency of 84.4 % with current density of formate to 6.7 mA cm−2. The characterization results indicate these generated S-doped Cu nanoparticles are uniform with the particle size of 20–30 nm exposed a large amount of Cu (100) facets due to the coordination of thioamide molecules and presence of Br- and I- in electrolyte. The morphological characteristics and strong affinity for oxygen is the reason of higher formate selectivity and current density. This finding reveals the characterizations of efficient S-doped Cu catalysts for formate and provide a controllable approach to prepare these catalysts.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"392 ","pages":"Article 134711"},"PeriodicalIF":6.7,"publicationDate":"2025-03-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143529076","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