Pub Date : 2025-02-22DOI: 10.1016/j.joei.2025.102049
Ming Lei , Zhilin Zhao , Yujie Hu , Wei Liu , Dikun Hong , Qian Zhang , Lei Zhang
To reduce CO2 emission in power station, coal and ammonia co-combustion in boilers has garnered widespread attention. In this work, NO release behaviors of coal and ammonia co-combustion at O2/H2O/CO2 atmosphere with different H2O concentration are analyzed by experiment and molecular dynamics calculation. The results reveal that NO emission increases with the ratio of blending NH3 increasing, but it is relatively low when only ammonia is burned. As coal and ammonia are co-fired, the NO emission rises with the H2O concentration increasing from 0 % to 30 %. Reactive force field molecular dynamic (ReaxFF MD) simulations exhibit that the increase in combustion temperature promotes the intermediates contained nitrogen to convert to NO, and the NO formation rate is accelerated. With the rise in H2O concentration, the NO formation in the initial stage of the reaction is accelerated, mainly because the increase of the H2O concentration greatly accelerates the OH formation.
{"title":"The impact of H2O on NO emission during oxy-fuel co-combustion of coal/NH3 by experimental investigation and molecular dynamic calculation","authors":"Ming Lei , Zhilin Zhao , Yujie Hu , Wei Liu , Dikun Hong , Qian Zhang , Lei Zhang","doi":"10.1016/j.joei.2025.102049","DOIUrl":"10.1016/j.joei.2025.102049","url":null,"abstract":"<div><div>To reduce CO<sub>2</sub> emission in power station, coal and ammonia co-combustion in boilers has garnered widespread attention. In this work, NO release behaviors of coal and ammonia co-combustion at O<sub>2</sub>/H<sub>2</sub>O/CO<sub>2</sub> atmosphere with different H<sub>2</sub>O concentration are analyzed by experiment and molecular dynamics calculation. The results reveal that NO emission increases with the ratio of blending NH<sub>3</sub> increasing, but it is relatively low when only ammonia is burned. As coal and ammonia are co-fired, the NO emission rises with the H<sub>2</sub>O concentration increasing from 0 % to 30 %. Reactive force field molecular dynamic (ReaxFF MD) simulations exhibit that the increase in combustion temperature promotes the intermediates contained nitrogen to convert to NO, and the NO formation rate is accelerated. With the rise in H<sub>2</sub>O concentration, the NO formation in the initial stage of the reaction is accelerated, mainly because the increase of the H<sub>2</sub>O concentration greatly accelerates the OH formation.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"120 ","pages":"Article 102049"},"PeriodicalIF":5.6,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143508950","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-22DOI: 10.1016/j.joei.2025.102047
Yahya Çelebi , Mazlum Cengiz , Hüseyin Aydın
Renewable energy resources offer remarkable solutions to energy-related issues of reserve depletion and the emissions of harmful substances caused by fossil fuels. Energy demand increases as the world population grows. To fulfill the worldwide growing energy demand, especially in the transportation sector, biofuels are viable candidates to be used as partial or fully in diesel engines within existing engine infrastructure thanks to their abundant feedstocks and low costs. Propanol is one promising fuel for diesel engines. It can be produced from both petrochemical and biochemical routes which make it feasible to produce on large-scale. Moreover, it has higher energy content and boiling point, and lower hygroscopicity in comparison with lower alcohols. This review study explores comprehensive utilization of propanol and its blends in diesel engines to show its impacts on combustion behaviors, performance metrics and exhaust emissions. Furthermore, the paper comprehensively analyzes the production techniques, supply and demand trends, sustainability and safety considerations and other fuel applications of propanol. The paper concludes by highlighting key findings and identifying areas for further research. Overall, this review offers crucial insights into the potential of propanol to decrease the dependence on fossil diesel fuel and improve engine performance and its associated emissions.
{"title":"Propanol and its blend in diesel engines: An extensive review","authors":"Yahya Çelebi , Mazlum Cengiz , Hüseyin Aydın","doi":"10.1016/j.joei.2025.102047","DOIUrl":"10.1016/j.joei.2025.102047","url":null,"abstract":"<div><div>Renewable energy resources offer remarkable solutions to energy-related issues of reserve depletion and the emissions of harmful substances caused by fossil fuels. Energy demand increases as the world population grows. To fulfill the worldwide growing energy demand, especially in the transportation sector, biofuels are viable candidates to be used as partial or fully in diesel engines within existing engine infrastructure thanks to their abundant feedstocks and low costs. Propanol is one promising fuel for diesel engines. It can be produced from both petrochemical and biochemical routes which make it feasible to produce on large-scale. Moreover, it has higher energy content and boiling point, and lower hygroscopicity in comparison with lower alcohols. This review study explores comprehensive utilization of propanol and its blends in diesel engines to show its impacts on combustion behaviors, performance metrics and exhaust emissions. Furthermore, the paper comprehensively analyzes the production techniques, supply and demand trends, sustainability and safety considerations and other fuel applications of propanol. The paper concludes by highlighting key findings and identifying areas for further research. Overall, this review offers crucial insights into the potential of propanol to decrease the dependence on fossil diesel fuel and improve engine performance and its associated emissions.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"120 ","pages":"Article 102047"},"PeriodicalIF":5.6,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143480155","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-22DOI: 10.1016/j.joei.2025.102050
Jinzhao Liu , Junguang Meng , Conghuan Zou , Xinye Wang , Changsheng Bu , Jubing Zhang , Changqi Liu , Xi Cao , Lingqin Liu , Hao Xie
In this study, a simple and effective Non-thermal Plasma (NTP) treatment was used to produce Ni-Mo catalysts, with Attapulgite (ATP)-Derived Mobil Five Instructure (MFI) zeolite (ADM) as the support. The catalytic activity and resistance to carbon deposition in the DRM reaction were separately investigated in terms of the effects of adding Mo and the NTP treatment. Structural characterization confirmed the successful integration of Ni and Mo species within the attapulgite-derived MFI framework. Catalysts containing Mo exhibited significantly higher initial catalytic activity compared to Mo-free ones. H2-TPR results demonstrated that the addition of Mo strengthened the metal-support interactions, and NTP treatment increased the proportion of metals in the catalyst that could function as active sites. CO2-TPD analysis showed that Mo addition enhanced the ratio of weakly basic and medium basic sites, and this tendency was further reinforced by NTP treatment. Under continuous operation for 100h, the plasma-treated Ni7Mo1-ADM-P catalyst exhibited exceptional stability with CH4 conversion rates maintained at 90.4 %. At the GHSV of 90,000 mL·gcat−1·h−1, the CH4 and CO2 deactivation rates were merely 0.011 % h−1 and 0.008 % h−1, respectively. After 100 h of reaction, the characteristic peaks of MFI molecular sieves could still be detected in the used catalysts, reflecting their high stability. Additionally, Ni7Mo1-ADM-P had a higher degree of graphitization defects, making its carbon deposits easier to remove. This study could offer a reference for further enhancing catalyst performance through NTP treatment.
{"title":"Innovative non-thermal plasma treated NiMo-ADM zeolite catalyst for dry reforming of methane","authors":"Jinzhao Liu , Junguang Meng , Conghuan Zou , Xinye Wang , Changsheng Bu , Jubing Zhang , Changqi Liu , Xi Cao , Lingqin Liu , Hao Xie","doi":"10.1016/j.joei.2025.102050","DOIUrl":"10.1016/j.joei.2025.102050","url":null,"abstract":"<div><div>In this study, a simple and effective Non-thermal Plasma (NTP) treatment was used to produce Ni-Mo catalysts, with Attapulgite (ATP)-Derived Mobil Five Instructure (MFI) zeolite (ADM) as the support. The catalytic activity and resistance to carbon deposition in the DRM reaction were separately investigated in terms of the effects of adding Mo and the NTP treatment. Structural characterization confirmed the successful integration of Ni and Mo species within the attapulgite-derived MFI framework. Catalysts containing Mo exhibited significantly higher initial catalytic activity compared to Mo-free ones. H<sub>2</sub>-TPR results demonstrated that the addition of Mo strengthened the metal-support interactions, and NTP treatment increased the proportion of metals in the catalyst that could function as active sites. CO<sub>2-</sub>TPD analysis showed that Mo addition enhanced the ratio of weakly basic and medium basic sites, and this tendency was further reinforced by NTP treatment. Under continuous operation for 100h, the plasma-treated Ni7Mo1-ADM-P catalyst exhibited exceptional stability with CH<sub>4</sub> conversion rates maintained at 90.4 %. At the GHSV of 90,000 mL·g<sub>cat</sub><sup>−1</sup>·h<sup>−1</sup>, the CH<sub>4</sub> and CO<sub>2</sub> deactivation rates were merely 0.011 % h<sup>−1</sup> and 0.008 % h<sup>−1</sup>, respectively. After 100 h of reaction, the characteristic peaks of MFI molecular sieves could still be detected in the used catalysts, reflecting their high stability. Additionally, Ni7Mo1-ADM-P had a higher degree of graphitization defects, making its carbon deposits easier to remove. This study could offer a reference for further enhancing catalyst performance through NTP treatment.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"120 ","pages":"Article 102050"},"PeriodicalIF":5.6,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143487752","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-21DOI: 10.1016/j.joei.2025.102045
Dan Meng , Genxiong Kang , Lei Zhang , Xudong Li , He Li , Jian Qi , Xiaoguang San
The hydrogenation of carbon dioxide aims to reduce the concentration of carbon dioxide in the atmosphere and convert it into valuable chemicals or fuels. This reaction is of great significance in addressing climate change, reducing greenhouse gas emissions, and achieving carbon dioxide recycling. In the reaction of carbon dioxide hydrogenation to methanol, efficient and stable catalyst is one of the important factors for the efficient conversion of carbon dioxide to methanol. However, the currently reported catalysts basically need to play a catalytic role at higher temperatures and pressures. Therefore, the development of a catalyst that can maintain high activity at lower temperatures and pressures remains an urgent challenge. In this study, In2O3/ZnO heterostructure catalysts were prepared by water bath combined with subsequent Solvothermal method. At 250 °C and 2 MPa, the CO2 conversion of In2O3/ZnO-2 catalyst was 13.5 %, the methanol selectivity was 83.3 %, and the methanol space-time yield (STY) was 0.437 g·gcat−1·h−1, which was 4.8 times and 2.9 times that of pure In2O3 (0.091 g·gcat−1·h−1) and CP-In2O3/ZnO (0.151 g·gcat−1·h−1), respectively. The formation of In2O3/ZnO heterostructure, large specific surface area and more exposed active sites, as well as abundant oxygen vacancies in the material, promote the good catalytic performance of In2O3/ZnO-2 catalyst. It is expected that this novel In2O3/ZnO heterostructure catalyst will provide new ideas and inspiration for the design and development of bimetallic oxide catalysts with high activity and selectivity for carbon dioxide hydrogenation to methanol at lower temperatures and pressures.
{"title":"Rich oxygen vacancies in In2O3/ZnO heterostructure for boosting CO2 hydrogenation to methanol","authors":"Dan Meng , Genxiong Kang , Lei Zhang , Xudong Li , He Li , Jian Qi , Xiaoguang San","doi":"10.1016/j.joei.2025.102045","DOIUrl":"10.1016/j.joei.2025.102045","url":null,"abstract":"<div><div>The hydrogenation of carbon dioxide aims to reduce the concentration of carbon dioxide in the atmosphere and convert it into valuable chemicals or fuels. This reaction is of great significance in addressing climate change, reducing greenhouse gas emissions, and achieving carbon dioxide recycling. In the reaction of carbon dioxide hydrogenation to methanol, efficient and stable catalyst is one of the important factors for the efficient conversion of carbon dioxide to methanol. However, the currently reported catalysts basically need to play a catalytic role at higher temperatures and pressures. Therefore, the development of a catalyst that can maintain high activity at lower temperatures and pressures remains an urgent challenge. In this study, In<sub>2</sub>O<sub>3</sub>/ZnO heterostructure catalysts were prepared by water bath combined with subsequent Solvothermal method. At 250 °C and 2 MPa, the CO<sub>2</sub> conversion of In<sub>2</sub>O<sub>3</sub>/ZnO-2 catalyst was 13.5 %, the methanol selectivity was 83.3 %, and the methanol space-time yield (STY) was 0.437 g·g<sub>cat</sub><sup>−1</sup>·h<sup>−1</sup>, which was 4.8 times and 2.9 times that of pure In<sub>2</sub>O<sub>3</sub> (0.091 g·g<sub>cat</sub><sup>−1</sup>·h<sup>−1</sup>) and CP-In<sub>2</sub>O<sub>3</sub>/ZnO (0.151 g·g<sub>cat</sub><sup>−1</sup>·h<sup>−1</sup>), respectively. The formation of In<sub>2</sub>O<sub>3</sub>/ZnO heterostructure, large specific surface area and more exposed active sites, as well as abundant oxygen vacancies in the material, promote the good catalytic performance of In<sub>2</sub>O<sub>3</sub>/ZnO-2 catalyst. It is expected that this novel In<sub>2</sub>O<sub>3</sub>/ZnO heterostructure catalyst will provide new ideas and inspiration for the design and development of bimetallic oxide catalysts with high activity and selectivity for carbon dioxide hydrogenation to methanol at lower temperatures and pressures.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"120 ","pages":"Article 102045"},"PeriodicalIF":5.6,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143480158","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-21DOI: 10.1016/j.joei.2025.102044
Ahmet Yakın , Mehmet Gülcan
This study examines the impact of methylamine-borane (MAB), a hydrogen-enriched fuel additive, on the combustion dynamics, emission characteristics, and performance metrics of gasoline engines. The evaluation was conducted at volumetric concentrations of 5 % (MAB5) and 10 % (MAB10). The results indicated a substantial reduction in carbon monoxide (CO) emissions by 76.79 % for MAB5 and 66.39 % for MAB10, as well as a decrease in hydrocarbon (HC) emissions by 21.39 % and 35.39 %, respectively. Carbon dioxide (CO2) emissions were also reduced by 15.29 % for MAB5 and 9.76 % for MAB10, suggesting an improvement in combustion efficiency. However, an increase in nitrogen oxides (NOx) emissions was observed, likely due to higher peak combustion temperatures. Elevated oxygen (O2) levels in the exhaust were noted, reflecting alterations in in-cylinder oxygen dynamics and combustion stoichiometry. Performance analysis revealed that MAB use resulted in higher brake-specific fuel consumption (BSFC) and lower thermal efficiency, with reductions of 7.69 % and 9.93 % for MAB5 and MAB10, respectively, attributable to the lower energy density of MAB relative to gasoline. A decrease in exhaust gas temperature was observed, suggesting a complex interaction of energy release and heat transfer processes. Despite the reduction in emissions, the increase in NOx formation highlights the intensification of combustion phases and greater thermal stress within the engine cylinder. The findings suggest that MAB, as a hydrogen-enriched fuel additive, offers notable benefits in emission reduction, but presents challenges such as reduced performance efficiency and increased thermal management requirements. These results underscore the need for optimizing additive formulations and operational parameters to balance the emission reduction potential with performance efficiency in gasoline engine applications.
{"title":"Effects of boron-based additives on combustion characteristics, emission reduction, and performance improvement in internal combustion engines","authors":"Ahmet Yakın , Mehmet Gülcan","doi":"10.1016/j.joei.2025.102044","DOIUrl":"10.1016/j.joei.2025.102044","url":null,"abstract":"<div><div>This study examines the impact of methylamine-borane (MAB), a hydrogen-enriched fuel additive, on the combustion dynamics, emission characteristics, and performance metrics of gasoline engines. The evaluation was conducted at volumetric concentrations of 5 % (MAB5) and 10 % (MAB10). The results indicated a substantial reduction in carbon monoxide (CO) emissions by 76.79 % for MAB5 and 66.39 % for MAB10, as well as a decrease in hydrocarbon (HC) emissions by 21.39 % and 35.39 %, respectively. Carbon dioxide (CO<sub>2</sub>) emissions were also reduced by 15.29 % for MAB5 and 9.76 % for MAB10, suggesting an improvement in combustion efficiency. However, an increase in nitrogen oxides (NO<sub>x</sub>) emissions was observed, likely due to higher peak combustion temperatures. Elevated oxygen (O<sub>2</sub>) levels in the exhaust were noted, reflecting alterations in in-cylinder oxygen dynamics and combustion stoichiometry. Performance analysis revealed that MAB use resulted in higher brake-specific fuel consumption (BSFC) and lower thermal efficiency, with reductions of 7.69 % and 9.93 % for MAB5 and MAB10, respectively, attributable to the lower energy density of MAB relative to gasoline. A decrease in exhaust gas temperature was observed, suggesting a complex interaction of energy release and heat transfer processes. Despite the reduction in emissions, the increase in NOx formation highlights the intensification of combustion phases and greater thermal stress within the engine cylinder. The findings suggest that MAB, as a hydrogen-enriched fuel additive, offers notable benefits in emission reduction, but presents challenges such as reduced performance efficiency and increased thermal management requirements. These results underscore the need for optimizing additive formulations and operational parameters to balance the emission reduction potential with performance efficiency in gasoline engine applications.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"120 ","pages":"Article 102044"},"PeriodicalIF":5.6,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143474165","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-21DOI: 10.1016/j.joei.2025.102043
Yue Qiu , Liang Wu , Fan Liu , Zhigang Liu , Zhenxiong Huang , Jingwei Chen , Lei Yi , Bin Chen
Polyethylene terephthalate (PET) is widely used in packaging, electronics, and synthetic fibers. Due to the need for adequate recycling methods, it leads to environmental pollution. Exploring new efficient PET degradation technologies is particularly important. As an efficient and clean method for treating synthetic polymers, supercritical water gasification (SCWG) technology has broad application prospects. In this paper, PET was modeled using Materials Studio software, and a supercritical water reaction system was established. The detailed mechanism of PET decomposition in supercritical water was studied using reactive molecular dynamics simulations. The effects of different operating conditions on the gasification products were analyzed. The results show that higher temperatures help increase the hydrogen yield, while high feedstock concentrations are not conducive to hydrogen production. Additionally, the decomposition pathways of PET were analyzed based on the reaction routes. This provides an effective method for polymer degradation and has significant implications for optimizing hydrogen production through SCWG.
{"title":"Molecular dynamics study on hydrogen production from supercritical water decomposition of Polyethylene terephthalate","authors":"Yue Qiu , Liang Wu , Fan Liu , Zhigang Liu , Zhenxiong Huang , Jingwei Chen , Lei Yi , Bin Chen","doi":"10.1016/j.joei.2025.102043","DOIUrl":"10.1016/j.joei.2025.102043","url":null,"abstract":"<div><div>Polyethylene terephthalate (PET) is widely used in packaging, electronics, and synthetic fibers. Due to the need for adequate recycling methods, it leads to environmental pollution. Exploring new efficient PET degradation technologies is particularly important. As an efficient and clean method for treating synthetic polymers, supercritical water gasification (SCWG) technology has broad application prospects. In this paper, PET was modeled using Materials Studio software, and a supercritical water reaction system was established. The detailed mechanism of PET decomposition in supercritical water was studied using reactive molecular dynamics simulations. The effects of different operating conditions on the gasification products were analyzed. The results show that higher temperatures help increase the hydrogen yield, while high feedstock concentrations are not conducive to hydrogen production. Additionally, the decomposition pathways of PET were analyzed based on the reaction routes. This provides an effective method for polymer degradation and has significant implications for optimizing hydrogen production through SCWG.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"120 ","pages":"Article 102043"},"PeriodicalIF":5.6,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143508951","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-21DOI: 10.1016/j.joei.2025.102041
Hariana Hariana , Adi Prismantoko , Hafizh Ghazidin , Ade Sana Ruhiyat , Nandang Suhendra , Arif Darmawan , Firman Bagja Juangsa , Rachmanoe Indarto , Yibin Wang , Muhammad Aziz
Processing MSW into refuse-derived fuel (RDF), which has a high heating value, can substitute for coal in power plants, but the high content of alkali and chlorine in RDF easily exacerbates ash deposition problems for boiler pipes during co-combustion. In order to alleviate these problems, the co-combustion experiment of coal with a dosage of 20 wt% of two typical RDFs (biodegradable-rich RDF and blended RDF) at 1250 °C was studied in a laboratory-scale furnace. The effectiveness of two kinds of aluminum-rich anti-slagging additives (aluminosilicate (Al-Si) and aluminum-sulfate (Al-S) based) for ash deposition was comprehensively evaluated at doses of 0.1 and 1.0 wt%. The results showed that severe fouling occurred at the co-combustion ratio of 20 wt% RDFs. The dosage of 1.0 wt% Al-Si-based additive effectively reduced the formation of sticky particles and low melting point minerals, and the deposits on the probe surface were more easily removed. The anorthite mineral in the biodegradable-rich RDF phase transforms to anhydrite and was not present when Al-Si-based additives were added. These findings are essential for clarifying the fact that the Al-Si-based additive with a low adding ratio can potentially mitigate ash deposition problems in coal-fired boilers.
{"title":"Mitigation of ash deposition problem during co-combustion of coal and refuse-derived fuel using aluminium-rich anti-slagging additives","authors":"Hariana Hariana , Adi Prismantoko , Hafizh Ghazidin , Ade Sana Ruhiyat , Nandang Suhendra , Arif Darmawan , Firman Bagja Juangsa , Rachmanoe Indarto , Yibin Wang , Muhammad Aziz","doi":"10.1016/j.joei.2025.102041","DOIUrl":"10.1016/j.joei.2025.102041","url":null,"abstract":"<div><div>Processing MSW into refuse-derived fuel (RDF), which has a high heating value, can substitute for coal in power plants, but the high content of alkali and chlorine in RDF easily exacerbates ash deposition problems for boiler pipes during co-combustion. In order to alleviate these problems, the co-combustion experiment of coal with a dosage of 20 wt% of two typical RDFs (biodegradable-rich RDF and blended RDF) at 1250 °C was studied in a laboratory-scale furnace. The effectiveness of two kinds of aluminum-rich anti-slagging additives (aluminosilicate (Al-Si) and aluminum-sulfate (Al-S) based) for ash deposition was comprehensively evaluated at doses of 0.1 and 1.0 wt%. The results showed that severe fouling occurred at the co-combustion ratio of 20 wt% RDFs. The dosage of 1.0 wt% Al-Si-based additive effectively reduced the formation of sticky particles and low melting point minerals, and the deposits on the probe surface were more easily removed. The anorthite mineral in the biodegradable-rich RDF phase transforms to anhydrite and was not present when Al-Si-based additives were added. These findings are essential for clarifying the fact that the Al-Si-based additive with a low adding ratio can potentially mitigate ash deposition problems in coal-fired boilers.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"120 ","pages":"Article 102041"},"PeriodicalIF":5.6,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143510976","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-20DOI: 10.1016/j.joei.2025.102042
Yuya Sakurai , Tsutomu Ito , Mamoru Nishimoto
The pyrolysis of blended textiles from waste clothing was studied to advance the technology for recycling such materials. Waste garments made of polyester/cotton, a common blended textile, were used as experimental samples. The pyrolysis properties of polyester/cotton were examined using thermogravimetric analysis (TGA) and laboratory-scale pyrolysis experiments. The thermogravimetric (TG) curve indicated that the pyrolysis of polyester/cotton began at 255.1 °C and ended at 471.7 °C. The pyrolysis derivative curve for polyester/cotton displayed three peaks, with the most significant peak at 353.8 °C and minor peaks at 319.9 °C and 403.4 °C. Laboratory-scale pyrolysis experiments were then performed at heating temperatures of 400, 500, 600, and 700 °C. The pyrolysis products were characterized by analyzing the char, tar, and gas generated. The polyester/cotton char exhibited a high higher heating value (HHV) of 32,640 J/g-char (db) at 600 °C. The tar composition revealed that the polyester/cotton char was primarily composed of fragments with a phenyl structure derived from polyester, with benzoic acid being a notable tar component. This composition was marked by significant production of polycyclic aromatic hydrocarbons, even at pyrolysis temperatures below 700 °C. The main components of the pyrolysis gases were CO2 and CO at low and high temperatures of 400 and 700 °C, respectively. By summarizing the composition of tar and gas in relation to pyrolysis temperature, a mechanism was proposed in which interactions between the hydroxyl groups in the molecular structure of cotton and the benzene rings in the molecular structure of polyester during pyrolysis lead to CO formation. These findings contribute to the development of recycling technologies for utilizing waste clothing as an energy source and chemical feedstock.
{"title":"Pyrolysis characteristics of blended textile in waste clothing","authors":"Yuya Sakurai , Tsutomu Ito , Mamoru Nishimoto","doi":"10.1016/j.joei.2025.102042","DOIUrl":"10.1016/j.joei.2025.102042","url":null,"abstract":"<div><div>The pyrolysis of blended textiles from waste clothing was studied to advance the technology for recycling such materials. Waste garments made of polyester/cotton, a common blended textile, were used as experimental samples. The pyrolysis properties of polyester/cotton were examined using thermogravimetric analysis (TGA) and laboratory-scale pyrolysis experiments. The thermogravimetric (TG) curve indicated that the pyrolysis of polyester/cotton began at 255.1 °C and ended at 471.7 °C. The pyrolysis derivative curve for polyester/cotton displayed three peaks, with the most significant peak at 353.8 °C and minor peaks at 319.9 °C and 403.4 °C. Laboratory-scale pyrolysis experiments were then performed at heating temperatures of 400, 500, 600, and 700 °C. The pyrolysis products were characterized by analyzing the char, tar, and gas generated. The polyester/cotton char exhibited a high higher heating value (HHV) of 32,640 J/g-char (db) at 600 °C. The tar composition revealed that the polyester/cotton char was primarily composed of fragments with a phenyl structure derived from polyester, with benzoic acid being a notable tar component. This composition was marked by significant production of polycyclic aromatic hydrocarbons, even at pyrolysis temperatures below 700 °C. The main components of the pyrolysis gases were CO<sub>2</sub> and CO at low and high temperatures of 400 and 700 °C, respectively. By summarizing the composition of tar and gas in relation to pyrolysis temperature, a mechanism was proposed in which interactions between the hydroxyl groups in the molecular structure of cotton and the benzene rings in the molecular structure of polyester during pyrolysis lead to CO formation. These findings contribute to the development of recycling technologies for utilizing waste clothing as an energy source and chemical feedstock.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"120 ","pages":"Article 102042"},"PeriodicalIF":5.6,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143487753","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-19DOI: 10.1016/j.joei.2025.102020
Qingyang Liu, Haoye Liu, Tianyou Wang
This study investigated the role of nitrogen-containing species in the structural regulation and growth inhibition of polycyclic aromatic hydrocarbons (PAHs) under high-temperature conditions through reactive force field molecular dynamics (ReaxFF MD) simulations. The findings revealed that nitrogen-containing species not only effectively inhibit the cyclization process of PAHs but also promote the formation of long branched carbon chains. This regulatory mechanism alters the structural characteristics of PAHs, thereby inhibiting the growth of PAHs. Specifically, during the mass growth of clusters, the nitrogen-containing radicals react with propargyl radical (C3H3) to generate nitrogen-containing hydrocarbon precursors that actively participate in clusters formation, facilitating the transition from small clusters to larger clusters, which consequently shortens the growth time of clusters. Moreover, the introduction of nitrogen-containing radicals leads to a 50 % increase in the total number of carbon atoms in C16+ clusters relative to the C3H3 system, while the number of clusters dramatically decreases by 58.3 %. Structural analysis indicates that the total number of rings in PAHs within the nitrogen-containing species system decreases by as much as 80.8 % compared to the C3H3 system, and the PAH growth inhibition factor increases by as much as 5.3 times. This suggests that nitrogen-containing species have a significant inhibition effect on the growth of PAHs. Additionally, molecular trajectory analysis further revealed that the instability of nitrogen heterocyclic structures at high temperatures promotes the occurrence of ring-opening reactions, leading to the nitrogen-containing portions of PAHs predominantly existing in chain form. The formation of long carbon chains, compared to cyclic structures, facilitates the combination of carbon-hydrogen small molecules, effectively explaining the promoting effect of nitrogen-containing species on the mass growth of clusters. Overall, nitrogen-containing species exhibit significant reactivity in high-temperature environments that reduce the reaction frequency of the transformation from C3H3 to PAHs, effectively inhibit the cyclization of PAHs and promote the formation of branched chains. Furthermore, a looser structure with more branched chains facilitates oxidation reactions, thereby further inhibiting the growth of PAHs. This study offers important insights into the understanding of the mechanism by which ammonia inhibits the growth of PAHs in ammonia-doped hydrocarbon flames.
{"title":"Role of nitrogen-containing species in the structural regulation and growth inhibition of polycyclic aromatic hydrocarbons: A ReaxFF molecular dynamics study","authors":"Qingyang Liu, Haoye Liu, Tianyou Wang","doi":"10.1016/j.joei.2025.102020","DOIUrl":"10.1016/j.joei.2025.102020","url":null,"abstract":"<div><div>This study investigated the role of nitrogen-containing species in the structural regulation and growth inhibition of polycyclic aromatic hydrocarbons (PAHs) under high-temperature conditions through reactive force field molecular dynamics (ReaxFF MD) simulations. The findings revealed that nitrogen-containing species not only effectively inhibit the cyclization process of PAHs but also promote the formation of long branched carbon chains. This regulatory mechanism alters the structural characteristics of PAHs, thereby inhibiting the growth of PAHs. Specifically, during the mass growth of clusters, the nitrogen-containing radicals react with propargyl radical (C<sub>3</sub>H<sub>3</sub>) to generate nitrogen-containing hydrocarbon precursors that actively participate in clusters formation, facilitating the transition from small clusters to larger clusters, which consequently shortens the growth time of clusters. Moreover, the introduction of nitrogen-containing radicals leads to a 50 % increase in the total number of carbon atoms in C<sub>16+</sub> clusters relative to the C<sub>3</sub>H<sub>3</sub> system, while the number of clusters dramatically decreases by 58.3 %. Structural analysis indicates that the total number of rings in PAHs within the nitrogen-containing species system decreases by as much as 80.8 % compared to the C<sub>3</sub>H<sub>3</sub> system, and the PAH growth inhibition factor increases by as much as 5.3 times. This suggests that nitrogen-containing species have a significant inhibition effect on the growth of PAHs. Additionally, molecular trajectory analysis further revealed that the instability of nitrogen heterocyclic structures at high temperatures promotes the occurrence of ring-opening reactions, leading to the nitrogen-containing portions of PAHs predominantly existing in chain form. The formation of long carbon chains, compared to cyclic structures, facilitates the combination of carbon-hydrogen small molecules, effectively explaining the promoting effect of nitrogen-containing species on the mass growth of clusters. Overall, nitrogen-containing species exhibit significant reactivity in high-temperature environments that reduce the reaction frequency of the transformation from C<sub>3</sub>H<sub>3</sub> to PAHs, effectively inhibit the cyclization of PAHs and promote the formation of branched chains. Furthermore, a looser structure with more branched chains facilitates oxidation reactions, thereby further inhibiting the growth of PAHs. This study offers important insights into the understanding of the mechanism by which ammonia inhibits the growth of PAHs in ammonia-doped hydrocarbon flames.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"120 ","pages":"Article 102020"},"PeriodicalIF":5.6,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143480157","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In this manuscript, the products distribution was studied in solvents with different proton donor quality index (PDQIs), and the reaction behavior of radicals was investigated using ESR. Besides, the correlation between products distribution and characteristics of radical's reaction was investigated. The results showed that increasing temperature and PDQI had a significant promoting effect on coal conversion. When the PDQI of solvent was 30, yields of oil-gas were always maintained at maximum value compared to other solvents, which was up to 42.70 wt% at 450 °C. The free radical's concentration (CR) of residue and asphaltene (AS) decreased gradually with increasing PDQI, and the difference of CR of residue at different temperatures also reduced. The g value of residue increased significantly as PDQI increased from 10 to 20, while g value of residue (2.0033–2.0037) decreased significantly at the PDQI of 30, which may be due to that heteroatom in residue combined with more active hydrogen. A high correlation existed between the amount of hydrogen supplied by THN (NH) and CR of residue with increasing temperature, and the correlation could be enhanced as PDQI increased. However, the CR in asphaltene was less correlated with NH. Besides, the CR of residue was significantly correlated with coal conversion and oil-gas yield.
{"title":"Product distribution and free radical reaction behavior during coal liquefaction in solvents with different hydrogen donor indexes","authors":"Yuanlin Zhang , Shuo Sun , Sheng Huang , Shiyong Wu , Youqing Wu","doi":"10.1016/j.joei.2025.102030","DOIUrl":"10.1016/j.joei.2025.102030","url":null,"abstract":"<div><div>In this manuscript, the products distribution was studied in solvents with different proton donor quality index (PDQIs), and the reaction behavior of radicals was investigated using ESR. Besides, the correlation between products distribution and characteristics of radical's reaction was investigated. The results showed that increasing temperature and PDQI had a significant promoting effect on coal conversion. When the PDQI of solvent was 30, yields of oil-gas were always maintained at maximum value compared to other solvents, which was up to 42.70 wt% at 450 °C. The free radical's concentration (CR) of residue and asphaltene (AS) decreased gradually with increasing PDQI, and the difference of C<sub>R</sub> of residue at different temperatures also reduced. The g value of residue increased significantly as PDQI increased from 10 to 20, while g value of residue (2.0033–2.0037) decreased significantly at the PDQI of 30, which may be due to that heteroatom in residue combined with more active hydrogen. A high correlation existed between the amount of hydrogen supplied by THN (N<sub>H</sub>) and C<sub>R</sub> of residue with increasing temperature, and the correlation could be enhanced as PDQI increased. However, the C<sub>R</sub> in asphaltene was less correlated with N<sub>H</sub>. Besides, the C<sub>R</sub> of residue was significantly correlated with coal conversion and oil-gas yield.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"120 ","pages":"Article 102030"},"PeriodicalIF":5.6,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143463387","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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