Xiaolong Zhao , Zhiwu Wang , Yang Zhang , Zixu Zhang , Jingtao Xiao
{"title":"Reactive molecular dynamics study of pyrolysis mechanism of aviation kerosene (RP-3)/ethanol blended fuel","authors":"Xiaolong Zhao , Zhiwu Wang , Yang Zhang , Zixu Zhang , Jingtao Xiao","doi":"10.1016/j.psep.2025.107302","DOIUrl":"10.1016/j.psep.2025.107302","url":null,"abstract":"<div><div>Promoting clean and efficient combustion of aviation fuel is a key direction for the future development of aviation engine technology. Blending ethanol into aviation kerosene is an important strategy to enhance fuel combustion efficiency, reduce pollutant emissions, and mitigate energy consumption. This study employed the reactive force field molecular dynamics (ReaxFF MD) method to simulate and analyze the effects of different ethanol blending ratios on the pyrolysis process of RP-3. By analyzing the initial decomposition pathways of RP-3, the evolution and distribution of pyrolysis products, and the activation energy, the role of ethanol in the decomposition of RP-3 fuel was elucidated. The results show that ethanol with a low blending ratio has a certain promoting effect on the decomposition of RP-3, and this effect is restricted by the change in temperature. Moreover, ethanol can affect the initial decomposition pathway of RP-3. The OH and CH<sub>3</sub>O radicals generated by ethanol interact with the components of RP-3, which is beneficial for improving the pyrolysis chain reaction of RP-3. The pyrolysis kinetics analysis indicates that the addition of 7 wt% and 49 wt% ethanol reduces the activation energy of RP-3, whereas the addition of other ethanol ratios increases its activation energy. This study provides a new perspective to understand the pyrolysis process of RP-3/ethanol blends and lays the foundation for the development and application of clean and efficient aviation fuels.</div></div>","PeriodicalId":20743,"journal":{"name":"Process Safety and Environmental Protection","volume":"199 ","pages":"Article 107302"},"PeriodicalIF":6.9,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144084033","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Zhengwei Han , Yu Xie , Yinbo Song , Hui Zhong , Zhiguo He
{"title":"Mechanism of enhanced rubidium extraction from biotite via magnesium nitrate-assisted acid leaching: Experimental and DFT theoretical insights","authors":"Zhengwei Han , Yu Xie , Yinbo Song , Hui Zhong , Zhiguo He","doi":"10.1016/j.psep.2025.107301","DOIUrl":"10.1016/j.psep.2025.107301","url":null,"abstract":"<div><div>This study explored the mechanism and optimization of technical condition for enhanced rubidium extraction by utilizing magnesium nitrate in the sulfuric acid leaching process of biotite. The extraction efficiency of rubidium was significantly improved with the addition of magnesium nitrate. Under optimized conditions, the Rb leaching efficiency achieved 95.9 %. Concurrently, the leaching efficiency of impurity ions such as iron and aluminum were effectively reduced. Compared with the sulfuric acid leaching process, the iron leaching efficiency decreased from 90.3 % to 67.9 %, and the aluminum leaching efficiency decreased from 64.8 % to 17.0 % in enhanced process. The crystal structure transformation of biotite was systematically investigated using SEM-EDS, XRD, FTIR, FIR, and Mossbauer techniques. These analyses revealed significant modifications in the interlayer spacing, tetrahedral coordination, and octahedral structure. The DFT calculations have confirmed that the ion exchange process involves the participation of Mg<sup>2 +</sup> and H<sup>+</sup>, which play a critical role in facilitating the rubidium extraction. This interaction resulting in an increase in the (001) interplanar crystal spacing of biotite from 0.993 nm to 1.00 nm. The results demonstrated that magnesium nitrate functions as an exceptional enhancer for the acid leaching of rubidium from biotite. This process provides a novel strategy for the development of more efficient and environmentally sustainable processes for the recovery of valuable metals from micas.</div></div>","PeriodicalId":20743,"journal":{"name":"Process Safety and Environmental Protection","volume":"199 ","pages":"Article 107301"},"PeriodicalIF":6.9,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144069933","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Weidong Liu , Yujie Huang , Hang Yin , Fuqiang Yang , Yidu Hong
{"title":"Multi-physics modelling and simulation on the spontaneous heating of sulfide ores","authors":"Weidong Liu , Yujie Huang , Hang Yin , Fuqiang Yang , Yidu Hong","doi":"10.1016/j.psep.2025.107304","DOIUrl":"10.1016/j.psep.2025.107304","url":null,"abstract":"<div><div>The spontaneous combustion of sulfide ore piles poses a significant threat to miners' health and mining safety. In this work, numerical simulations of the temperature, velocity, and concentration field during the self-heating of sulfide ore piles were conducted using COMSOL Multiphysics. A self-heating model was established based on porous media fluid dynamics and heat transfer theory. The simulation parameters were determined, and the numerical solution of the heat conduction equation for sulfide ores was obtained. The results indicate a three-stage temperature progression: slow oxidation (0–10 days, with temperatures below 335 K), rapid heating (10–16 days, with a peak temperature of 926 K), and gradual cooling (16–24 days). The stacking method significantly influences the self-heating temperature field. Larger cross-sectional areas, stack heights, and stack angles of ore piles lead to higher temperatures and shorter safe stacking times. Furthermore, the lower the porosity and the slower the ambient wind velocity, the greater the risk of spontaneous combustion in a stockpile due to heat accumulation. This work can provide a predictive framework for optimizing ore pile geometry and ventilation strategies, offering practical insights to mitigate spontaneous combustion risks in mining operations.</div></div>","PeriodicalId":20743,"journal":{"name":"Process Safety and Environmental Protection","volume":"199 ","pages":"Article 107304"},"PeriodicalIF":6.9,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144107310","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Patterns of exhaust pollution from vehicles traveling on dual-lane coal mine roads","authors":"Xiangchen Zhang, Haiming Yu, Na Qin","doi":"10.1016/j.psep.2025.107300","DOIUrl":"10.1016/j.psep.2025.107300","url":null,"abstract":"<div><div>In view of the serious exhaust pollution problems of underground fuel vehicles and the difficulty of controlling exhaust pollutants in the crossheading, this study takes the crossheading of a coal mine 25211 working face in Yulin, Shaanxi Province as an example, builds the transport model of CO, NO and NO<sub>2</sub> exhaust components based on Euler equation, and establishes the physical model of vehicle parking in the crossheading. Analyzing exhaust diffusion at different wind speeds, results show that at 2.00 m/s, exhaust spreads and pollutes. The concentrations of the three exhaust gases reach their peak at approximately 3.93 m from the front of the crossheading, with the peak concentration of carbon monoxide being 2.44 % of the initial concentration. The study found that when driving into the crossheading with frequent vehicle stops, the air distribution volume of the crossheading should be ensured to meet the average wind speed of more than 2.00 m/s, which can effectively dilute the concentration of CO, NO and NO<sub>2</sub> in vehicle exhaust and ensure the occupational safety and health of underground personnel. The average relative error of the three gases is less than 18.0 %.</div></div>","PeriodicalId":20743,"journal":{"name":"Process Safety and Environmental Protection","volume":"199 ","pages":"Article 107300"},"PeriodicalIF":6.9,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144088881","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Hongxia Wang , Xiaoli Li , Peinan Guo , Zaoxiao Zhang , Lei Shi
{"title":"Optimization and renovation of energy complementary intra-plant/inter-plant integrated heat exchanger networks for waste heat recovery in the calcium carbide industry","authors":"Hongxia Wang , Xiaoli Li , Peinan Guo , Zaoxiao Zhang , Lei Shi","doi":"10.1016/j.psep.2025.107306","DOIUrl":"10.1016/j.psep.2025.107306","url":null,"abstract":"<div><div>The calcium carbide industry, characterized by its energy and emissions intensity, faces pressing sustainability demands in the “double-carbon” era. This study identifies substantial energy-saving opportunities within heat exchange networks. An optimization method is proposed that combines intra-/inter-plant heat integration to retrofit carbide plant heat exchange networks for energy efficiency. This approach is primarily based on pinch technology, where the heat exchange was first reconstructed within subsystems to minimize utility consumption. Results indicate that the intra-plant heat integration yields energy savings of 31.49 % for subsystem 1 and 28.79 % for subsystem 2. Subsequently, excess heat and cooling loads from the optimized subsystems were extracted as new heat exchange streams, facilitating heat exchange matching between subsystems. Thus, excess heat from subsystem 1 serves as heat source, while the excess cold from subsystem 2 acts as heat sink in inter-plant integration, creating a synergistic energy-saving mechanism to achieve inter-plant heat integration. The total energy from inter-plant heat integration reaches 10.83 MW, contributing to an overall heat recovery potential of 38.55 MW, ultimately achieving a remarkable total energy saving rate while minimizing the heat exchange units in this case. This research underscores the importance of multi-energy complementarity in advancing energy efficiency for future carbide industry.</div></div>","PeriodicalId":20743,"journal":{"name":"Process Safety and Environmental Protection","volume":"199 ","pages":"Article 107306"},"PeriodicalIF":6.9,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143948194","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Meile Chu , Bingjie Huo , Weijun Tian , Mengyuan Zou
{"title":"Investigating the electrosorption selectivity of mesoporous carbon electrodes for sulfate from mining wastewater in membrane capacitive deionization","authors":"Meile Chu , Bingjie Huo , Weijun Tian , Mengyuan Zou","doi":"10.1016/j.psep.2025.107297","DOIUrl":"10.1016/j.psep.2025.107297","url":null,"abstract":"<div><div>Sulfate contamination is a common problem in mining wastewater. We evaluated the selectivity of a dual-activated mesoporous carbon (DPC) electrode for sulfate in simulated solutions and actual mining wastewater due to the complex composition of actual mining wastewater. Our findings showed that the normalized equivalent electrosorption capacity of membrane capacitive deionization (MCDI) in equimolar ternary solution exhibited the following order: SO<sub>4</sub><sup>2-</sup> (0.42 mmol/g) > NO<sub>3</sub><sup>-</sup> (0.31 mmol<sup>/</sup>g) > Cl<sup>-</sup> (0.03 mmol/g), which was related to the DCP and ionic properties. Density-functional theory (DFT) calculations indicated that the superior selectivity of the DPC electrode for SO<sub>4</sub><sup>2-</sup> was also associated with the higher binding energies between the oxidized functional groups and SO<sub>4</sub><sup>2-</sup>. DPC-based MCDI effectively removed high concentrations of sulfate and common heavy metals from actual mining wastewater. Moreover, it exhibited excellent selectivity towards SO<sub>4</sub><sup>2-</sup>, demonstrating the feasibility of DPC electrode-based MCDI for treatment of real mining wastewater.</div></div>","PeriodicalId":20743,"journal":{"name":"Process Safety and Environmental Protection","volume":"199 ","pages":"Article 107297"},"PeriodicalIF":6.9,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143943101","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Characteristic analysis of floc size distribution and image texture evolution in chemical coagulation process","authors":"Shuaishuai Li, Yuling Liu, Zhixiao Wang, Chuanchuan Dou, Wangben Zhao, Hao Shu","doi":"10.1016/j.psep.2025.107298","DOIUrl":"10.1016/j.psep.2025.107298","url":null,"abstract":"<div><div>The dynamic evolution characteristics of flocs during chemical coagulation play a critical role in water treatment process optimization, yet real-time monitoring of reaction conditions and floc morphology remains challenging. This study innovatively integrates machine vision with image texture analysis to systematically investigate the regulatory mechanisms of coagulant dosage and raw water turbidity on floc size distribution and textural features. A non-invasive high-speed imaging system was employed to capture the entire flocculation dynamics, coupled with Python-OpenCV algorithms for quantitative characterization of floc parameters. Results demonstrate that under constant turbidity: (1) Insufficient coagulant dosage leads to inadequate colloidal destabilization, manifested by reduced floc quantity and significant decreases in image gray mean, entropy, and correlation values; (2) Optimal dosage produces concentrated floc size distribution with low coefficient of variation (CV); (3) Overdosing induces floc erosion and fragmentation, forming bi-/tri-modal distributions with substantially increased CV. Furthermore, high-turbidity raw water exacerbates floc fragmentation, resulting in dispersed size distribution (elevated CV) and enhanced light scattering (improved texture contrast). This work first elucidates the synergistic evolution between image textural features and floc size distribution, confirming their potential as sensitive indicators for real-time coagulant optimization, thereby providing theoretical foundations for intelligent control of coagulation processes.</div></div>","PeriodicalId":20743,"journal":{"name":"Process Safety and Environmental Protection","volume":"199 ","pages":"Article 107298"},"PeriodicalIF":6.9,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144070642","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Ce-BTC MOF grafted by lanthanium chromite for enhancement the sono-photodegradation of acetaminophen under visible light irradiation","authors":"Mahmoud El-Shahat , Reda M. Abdelhameed","doi":"10.1016/j.psep.2025.107275","DOIUrl":"10.1016/j.psep.2025.107275","url":null,"abstract":"<div><div>Until present, no studies have examined the use of LaCrO<sub>3</sub> doped in Ce-BTC composites as a sono-photocatalyst to increase the efficiency of acetaminophen degradation process. Using one-pot technique, LaCrO<sub>3</sub> was prepared in the presence of Ce-BTC producing LaCrO<sub>3</sub>@Ce-BTC composites. XRD, SEM, and TEM analyses supported the existence of LaCrO<sub>3</sub> and Ce-BTC. In addition, the TEM provided excellent evidence of LaCrO<sub>3</sub>'s presence in the composite by displaying dots on Ce-BTC's rod-shaped structure. LaCrO<sub>3</sub>@Ce-BTC showed recoverable sono-photocatalyst for the degradation of acetaminophen as pharmaceutical wastes from wastewater. Here, the sono-photocatalytic degradation of acetaminophen showed up to 99.9 % removal percentage after two hours with LaCrO<sub>3</sub>@Ce-BTC. The enhancement in acetaminophen removal activity due to the connection and interaction between LaCrO<sub>3</sub> and Ce-BTC in the composites compared with pure Ce-BTC. The catalytic kinetics was studied, and the photocatalytic mechanism was discussed.</div></div>","PeriodicalId":20743,"journal":{"name":"Process Safety and Environmental Protection","volume":"199 ","pages":"Article 107275"},"PeriodicalIF":6.9,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143948195","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"On thermal safety characteristics of rechargeable alkaline batteries based on zinc and manganese dioxide","authors":"Ulises Rojas-Alva , Lucia Mancini , Alenka Mauko Pranjić , Emanuele Marini , Benedetto Bozzini","doi":"10.1016/j.psep.2025.107175","DOIUrl":"10.1016/j.psep.2025.107175","url":null,"abstract":"<div><div>As lithium-ion technology's exhibits inherent issues with safety due to thermal runaway, a sustainable and cheaper alternative has been proposed in this work: the rechargeable alkaline battery chemistry. However, so far, the postulated safety of the new battery chemistry has not been demonstrated adequately. Therefore, a safety study is being carried out for rechargeable alkaline battery cells. This Short Communication paper is the first report on the thermal safety of Zn-MnO₂ CR2032 rechargeable alkaline battery coin cells. 100 % charged coin cells were tested under thermal abuse conditions in a gravity-convection furnace to quantify the temperature at which the cell would go into thermal runaway. Morphological characterisation of pristine and tested cells was performed via laboratory-based X-ray computed microtomography. The onset temperature to thermal runaway for the rechargeable alkaline battery cells was found to be in the range of 290–380 °C, much higher than that reported in the literature for lithium-ion cells (150–200 °C) of similar capacity and geometry. These results emphasise that rechargeable alkaline battery technology has improved thermal stability compared to lithium-ion technology. Lastly, morphological analyses highlighted the variations of cell geometry brought about by thermal testing.</div></div>","PeriodicalId":20743,"journal":{"name":"Process Safety and Environmental Protection","volume":"199 ","pages":"Article 107175"},"PeriodicalIF":6.9,"publicationDate":"2025-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144107319","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"4E’s (Energy, Exergy, Environment, and Economic) evaluation of biogas purification integrated with CHP using amine & ionic liquids","authors":"Bilal Kazmi , Syed Ali Ammar Taqvi , Umer Zahid , Babar Azeem","doi":"10.1016/j.psep.2025.107282","DOIUrl":"10.1016/j.psep.2025.107282","url":null,"abstract":"<div><div>The use of 1-butyl-4-methylimidazolium acetate ([BmimAc]) combined with amine solvents—methyl diethanolamine (MDEA), 2-amino-2-methyl-1-propanol (AMP), and diisopropylamine (DIPA)—was investigated to produce high-purity biomethane (≥ 99 wt%) while maximizing process efficiency. Integrating biogas upgrading with combined heat and power (CHP) technology, the system met energy demands and generated sustainable electricity. The1-butyl-4-methylimidazolium acetate + 2-amino-2-methyl-1-propanol [BmimAc+AMP] system emerged as the best performer. While the [BmimAc+DIPA] system had lower energy consumption, it faced challenges such as ionic liquid loss. Exergy analysis revealed that the [BmimAc+AMP] system minimized energy waste by reducing exergy destruction, leading to a more efficient process with a low exergy destruction factor. Environmentally, this system also significantly reduced carbon emissions due to its higher efficiency. Economically, the [BmimAc+AMP] system was the most cost-effective, making it the most affordable option for biogas upgrading and CHP generation. While this approach showed great promise, challenges such as ionic liquid loss and scaling up for large-scale applications remain to be addressed.</div></div>","PeriodicalId":20743,"journal":{"name":"Process Safety and Environmental Protection","volume":"199 ","pages":"Article 107282"},"PeriodicalIF":6.9,"publicationDate":"2025-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143948840","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}