Thermal runaway of polymerization reactions causes serious accidents. To study the emergency inhibition process of thermal runaway, a styrene thermal polymerization reaction model is established by using computational fluid dynamics (CFD) combined with a thermodynamic model. The DIV critical criterion is used to determine the critical point of the runaway reaction. The inhibitory effect of injection diameter, injection rate, and injection angle of inhibitor (ethylbenzene) on the styrene polymerization reaction is studied comprehensively. The injection mixing trajectory of the inhibitor is visualized by using the Lagrangian particle tracking method. The injection parameters are optimized to suppress thermal runaway by the response surface method. The result shows that a combination of injection parameters with 2 mm injection port diameter, 5 m/s injection rate, and 90° injection angle can improve the suppression effect of thermal runaway for the established model in this paper. This work provides a theoretical basis for preventing thermal runaway for polymerization reactions.
聚合反应的热失控会导致严重事故。为了研究热失控的紧急抑制过程,利用计算流体动力学(CFD)结合热力学模型建立了苯乙烯热聚合反应模型。采用 DIV 临界准则确定失控反应的临界点。全面研究了抑制剂(乙苯)的注入直径、注入速率和注入角度对苯乙烯聚合反应的抑制作用。采用拉格朗日粒子跟踪方法对抑制剂的注入混合轨迹进行了可视化分析。采用响应面法优化了注入参数,以抑制热失控。结果表明,在本文建立的模型中,喷射口直径为 2 毫米、喷射速度为 5 米/秒、喷射角度为 90°的喷射参数组合可以提高抑制热失控的效果。这项工作为防止聚合反应热失控提供了理论依据。
{"title":"CFD simulation study of thermal runaway inhibition for styrene polymerization by jet mixing","authors":"Jiajia Jiang, Yating Chen, Rui Zhou, Guanrong Mao","doi":"10.1002/apj.3129","DOIUrl":"10.1002/apj.3129","url":null,"abstract":"<p>Thermal runaway of polymerization reactions causes serious accidents. To study the emergency inhibition process of thermal runaway, a styrene thermal polymerization reaction model is established by using computational fluid dynamics (CFD) combined with a thermodynamic model. The DIV critical criterion is used to determine the critical point of the runaway reaction. The inhibitory effect of injection diameter, injection rate, and injection angle of inhibitor (ethylbenzene) on the styrene polymerization reaction is studied comprehensively. The injection mixing trajectory of the inhibitor is visualized by using the Lagrangian particle tracking method. The injection parameters are optimized to suppress thermal runaway by the response surface method. The result shows that a combination of injection parameters with 2 mm injection port diameter, 5 m/s injection rate, and 90° injection angle can improve the suppression effect of thermal runaway for the established model in this paper. This work provides a theoretical basis for preventing thermal runaway for polymerization reactions.</p>","PeriodicalId":49237,"journal":{"name":"Asia-Pacific Journal of Chemical Engineering","volume":"19 6","pages":""},"PeriodicalIF":1.4,"publicationDate":"2024-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141866156","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Quang Minh Tran, Phuong Thu Le, Thu Phuong Nguyen, Hong Nam Nguyen, Thi Hai Do, Trung Dung Nguyen, Thi Mai Thanh Dinh
Biochar (BC) and hydroxyapatite (HAp) are widely used in environmental remediation due to their high adsorption capacity, porous structure, large specific surface area, chemical stability, non-toxicity, and low solubility. Combining BC and HAp is a green and effective strategy for creating new adsorbents (BCH) that have a synergistic impact on wastewater treatment. In this study, BCH composites derived from apatite ore and macadamia nut shells were synthesized by the wet impregnation method to remove oxytetracycline (OTC) from aqueous solutions. The BC-HAp composite with a ratio of 10:1 (by weight) was the most effective material for removing OTC. The Redlich–Peterson model achieved the highest correlation coefficient among the four models tested (Freundlich, Langmuir, Temkin, and Redlich–Peterson). The maximum adsorption capacity calculated with the Langmuir isotherm was 49.59 mg g−1. It was found that the adsorption process was significantly affected by the solution pH. The bipolar form of the drug was found to be OTC±, and the adsorption was most effective in solutions with a pH of 6. The OTC adsorption dominant mechanisms on nanocomposites could be electrostatic attraction, hydrogen bonding formation, surface complexation, or ion exchange. Therefore, the BCH composite showed great potential for removing OTC pollutants in a cost-effective, and environmentally friendly manner.
{"title":"Efficient removal of emerging pollutant oxytetracycline by cost-effective biochar–hydroxyapatite composite","authors":"Quang Minh Tran, Phuong Thu Le, Thu Phuong Nguyen, Hong Nam Nguyen, Thi Hai Do, Trung Dung Nguyen, Thi Mai Thanh Dinh","doi":"10.1002/apj.3124","DOIUrl":"10.1002/apj.3124","url":null,"abstract":"<p>Biochar (BC) and hydroxyapatite (HAp) are widely used in environmental remediation due to their high adsorption capacity, porous structure, large specific surface area, chemical stability, non-toxicity, and low solubility. Combining BC and HAp is a green and effective strategy for creating new adsorbents (BCH) that have a synergistic impact on wastewater treatment. In this study, BCH composites derived from apatite ore and macadamia nut shells were synthesized by the wet impregnation method to remove oxytetracycline (OTC) from aqueous solutions. The BC-HAp composite with a ratio of 10:1 (by weight) was the most effective material for removing OTC. The Redlich–Peterson model achieved the highest correlation coefficient among the four models tested (Freundlich, Langmuir, Temkin, and Redlich–Peterson). The maximum adsorption capacity calculated with the Langmuir isotherm was 49.59 mg g<sup>−1</sup>. It was found that the adsorption process was significantly affected by the solution pH. The bipolar form of the drug was found to be OTC<sup>±</sup>, and the adsorption was most effective in solutions with a pH of 6. The OTC adsorption dominant mechanisms on nanocomposites could be electrostatic attraction, hydrogen bonding formation, surface complexation, or ion exchange. Therefore, the BCH composite showed great potential for removing OTC pollutants in a cost-effective, and environmentally friendly manner.</p>","PeriodicalId":49237,"journal":{"name":"Asia-Pacific Journal of Chemical Engineering","volume":"19 6","pages":""},"PeriodicalIF":1.4,"publicationDate":"2024-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141866049","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Oshadi Hettithanthri, Thi Bang Tuyen Nguyen, Thomas Fiedler, Chi Phan, Meththika Vithanage, Shiran Pallewatta, Thi My Linh Nguyen, Phuoc Quy An Nguyen, Nanthi Bolan
Oil spills pose significant threats to marine and freshwater environments, impacting ecosystems and drinking water sources. The present review incorporated an up-to-date statistical analysis of the oil spills globally including the types and sources of oil spills and the main habitats affected by the past incidents. It presented immediate and long-term effects on aquatic organisms and habitats highlighting the necessity for action to protect the aquatic environment. The paper also elucidated a range of effective remediation and cleanup methods, presenting a comprehensive toolkit to mitigate ecological damage. Noticeably, the review identified crucial knowledge gaps in the literature: (i) the absence of marine plastic pollution in studies on oil spill impacts and (ii) the absence of a modeling framework that considers the presence of microplastics in the spillage region and their impacts on the overall weathering rate. From synthesizing essential knowledge on oil spill dynamics and identifying the knowledge gap in the literature, this review aims to enhance understanding and guide future research.
{"title":"A review of oil spill dynamics: Statistics, impacts, countermeasures, and weathering behaviors","authors":"Oshadi Hettithanthri, Thi Bang Tuyen Nguyen, Thomas Fiedler, Chi Phan, Meththika Vithanage, Shiran Pallewatta, Thi My Linh Nguyen, Phuoc Quy An Nguyen, Nanthi Bolan","doi":"10.1002/apj.3128","DOIUrl":"10.1002/apj.3128","url":null,"abstract":"<p>Oil spills pose significant threats to marine and freshwater environments, impacting ecosystems and drinking water sources. The present review incorporated an up-to-date statistical analysis of the oil spills globally including the types and sources of oil spills and the main habitats affected by the past incidents. It presented immediate and long-term effects on aquatic organisms and habitats highlighting the necessity for action to protect the aquatic environment. The paper also elucidated a range of effective remediation and cleanup methods, presenting a comprehensive toolkit to mitigate ecological damage. Noticeably, the review identified crucial knowledge gaps in the literature: (i) the absence of marine plastic pollution in studies on oil spill impacts and (ii) the absence of a modeling framework that considers the presence of microplastics in the spillage region and their impacts on the overall weathering rate. From synthesizing essential knowledge on oil spill dynamics and identifying the knowledge gap in the literature, this review aims to enhance understanding and guide future research.</p>","PeriodicalId":49237,"journal":{"name":"Asia-Pacific Journal of Chemical Engineering","volume":"19 6","pages":""},"PeriodicalIF":1.4,"publicationDate":"2024-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/apj.3128","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141866050","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The direct extraction of alumina from secondary aluminum dross (SAD), which is a dangerous solid waste, is difficult. Moreover, this process easily produces a large amount of solid waste residue, which is not easily utilized. In this paper, a new green process was developed to prepare calcium aluminate and Mg-Al spinel from SAD by hydrolysis–calcification roasting. The effects of calcium oxide (CaO) content, sintering temperature, and holding time on the properties of calcium aluminate were investigated by single-factor experiments. The phase transformation mechanism of calcium aluminate was studied by thermodynamic analysis, X-ray diffraction analysis, X-ray fluorescence spectroscopy, and scanning electron microscopy. Under the optimal conditions (Ca/Al molar ratio of 0.8, sintering temperature of 1300°C, and holding time of 2 h), the main calcium aluminate phases are CaAl2O4 and Ca2Al2SiO7, the soluble alumina content of the calcium aluminate sample is 49.71 wt.%, and the main phases of the acid-insoluble residue are Mg-Al spinel and a very small amount of CaTiO3. The Ca/Al ratio is the key factor affecting the calcium aluminate phase—with increasing Ca/Al ratio, the calcium aluminate phase is transformed from CaAl4O7 to CaAl2O4 and eventually to Ca12Al14O33, and the Si-containing phase changes from Ca2Al2SiO7 to CaSiO4.
{"title":"Preparation of calcium aluminate and spinel by hydrolysis and calcination from secondary aluminum dross","authors":"Yuqin Zhao, Zhengping Zuo, Zhanbing Li, Jianbo Zhang, Wen Fen Wu, Wei Ping Ma, Ganyu Zhu, Shaopeng Li, Fei Wang","doi":"10.1002/apj.3117","DOIUrl":"10.1002/apj.3117","url":null,"abstract":"<p>The direct extraction of alumina from secondary aluminum dross (SAD), which is a dangerous solid waste, is difficult. Moreover, this process easily produces a large amount of solid waste residue, which is not easily utilized. In this paper, a new green process was developed to prepare calcium aluminate and Mg-Al spinel from SAD by hydrolysis–calcification roasting. The effects of calcium oxide (CaO) content, sintering temperature, and holding time on the properties of calcium aluminate were investigated by single-factor experiments. The phase transformation mechanism of calcium aluminate was studied by thermodynamic analysis, X-ray diffraction analysis, X-ray fluorescence spectroscopy, and scanning electron microscopy. Under the optimal conditions (Ca/Al molar ratio of 0.8, sintering temperature of 1300°C, and holding time of 2 h), the main calcium aluminate phases are CaAl<sub>2</sub>O<sub>4</sub> and Ca<sub>2</sub>Al<sub>2</sub>SiO<sub>7</sub>, the soluble alumina content of the calcium aluminate sample is 49.71 wt.%, and the main phases of the acid-insoluble residue are Mg-Al spinel and a very small amount of CaTiO<sub>3</sub>. The Ca/Al ratio is the key factor affecting the calcium aluminate phase—with increasing Ca/Al ratio, the calcium aluminate phase is transformed from CaAl<sub>4</sub>O<sub>7</sub> to CaAl<sub>2</sub>O<sub>4</sub> and eventually to Ca<sub>12</sub>Al<sub>14</sub>O<sub>33</sub>, and the Si-containing phase changes from Ca<sub>2</sub>Al<sub>2</sub>SiO<sub>7</sub> to CaSiO<sub>4</sub>.</p>","PeriodicalId":49237,"journal":{"name":"Asia-Pacific Journal of Chemical Engineering","volume":"19 6","pages":""},"PeriodicalIF":1.4,"publicationDate":"2024-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141866152","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
With the advancement of coal mining, the pre-mining stress on the coal seam increases. After mining, the coal seam fractures and unloads, leaving granular coal in the goaf with a high risk of spontaneous combustion. To investigate the oxidation behavior and underlying mechanisms of granular coal in goafs at various depths, fresh coal was subjected to static stresses ranging from 4 to 16 MPa and then underwent unloading treatment to generate granular coal with varying initial stresses. Subsequently, simulations of granular coal in goafs at various depths were conducted. Structural characteristics (pores and functional groups) and oxidation heat production performance of the granular coal after unloading were analyzed using a low-temperature nitrogen adsorption instrument, a Fourier infrared spectrometer, and a simultaneous thermal analysis system. The findings suggest that as the initial loading stress increases, the number of micropores and mesopores within the unloaded bulk coal decreases, while the number of macropores increases. Furthermore, important oxidation-active structures, including -OH, -CH3, -CH2-, C=O, and -COOH, gradually increase, with a slight decrease observed after exceeding 8 MPa. The pressure-unloading process leads to a gradual decrease in the characteristic temperature of the bulk coal, with the characteristic temperature increasing after exceeding 8 MPa, although it still remains lower than that of the raw coal. As the burial depth of the goaf increases, the oxidation behavior of the unloaded granular coal becomes more pronounced, leading to an increased tendency and risk of spontaneous combustion. If the initial loading stress on deep coal seams is excessive, the oxidation heat production capacity of the resulting unloaded granular coal may be slightly diminished, yet it still poses a significant disaster risk. The research results can provide valuable insights for mitigating and managing spontaneous combustion risks in coal seam mining operations conducted at different depths.
{"title":"Study on the influence of unloading disturbance of initial load stress on the microstructure and thermodynamic behavior of granular coal","authors":"Hui-yong Niu, Si-wei Sun, Qing-qing Sun, Hai-yan Wang, Hong-Yu Pan, Xi Yang, Xiao-dong Yu","doi":"10.1002/apj.3130","DOIUrl":"10.1002/apj.3130","url":null,"abstract":"<p>With the advancement of coal mining, the pre-mining stress on the coal seam increases. After mining, the coal seam fractures and unloads, leaving granular coal in the goaf with a high risk of spontaneous combustion. To investigate the oxidation behavior and underlying mechanisms of granular coal in goafs at various depths, fresh coal was subjected to static stresses ranging from 4 to 16 MPa and then underwent unloading treatment to generate granular coal with varying initial stresses. Subsequently, simulations of granular coal in goafs at various depths were conducted. Structural characteristics (pores and functional groups) and oxidation heat production performance of the granular coal after unloading were analyzed using a low-temperature nitrogen adsorption instrument, a Fourier infrared spectrometer, and a simultaneous thermal analysis system. The findings suggest that as the initial loading stress increases, the number of micropores and mesopores within the unloaded bulk coal decreases, while the number of macropores increases. Furthermore, important oxidation-active structures, including -OH, -CH<sub>3</sub>, -CH<sub>2</sub>-, C=O, and -COOH, gradually increase, with a slight decrease observed after exceeding 8 MPa. The pressure-unloading process leads to a gradual decrease in the characteristic temperature of the bulk coal, with the characteristic temperature increasing after exceeding 8 MPa, although it still remains lower than that of the raw coal. As the burial depth of the goaf increases, the oxidation behavior of the unloaded granular coal becomes more pronounced, leading to an increased tendency and risk of spontaneous combustion. If the initial loading stress on deep coal seams is excessive, the oxidation heat production capacity of the resulting unloaded granular coal may be slightly diminished, yet it still poses a significant disaster risk. The research results can provide valuable insights for mitigating and managing spontaneous combustion risks in coal seam mining operations conducted at different depths.</p>","PeriodicalId":49237,"journal":{"name":"Asia-Pacific Journal of Chemical Engineering","volume":"19 6","pages":""},"PeriodicalIF":1.4,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141777541","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The presence of pharmaceutical pollutants in the environment has become a growing concern due to their persistence and toxic nature. In response to this issue, semiconductor photocatalyst materials have emerged as promising candidates for environmental pollutant removal, particularly under solar light irradiation. In this study, we developed a novel zeolite/Fe3O4/CuS/CuWO4 heterojunction nanocomposite through a simple and facile method. The fabrication process involved a multistep approach wherein Fe3O4, CuS, and CuWO4 were incorporated onto the surface of pure zeolite nanoparticles. X-ray diffraction, scanning electron microscope, transmission electron microscope, ultraviolet–visible diffuse reflectance spectroscopy, Fourier transform infrared, photoluminescence, and vibrating sample magnetometry were analyzed. The results demonstrated that the zeolite/Fe3O4/CuS/CuWO4 heterojunction nanocomposite exhibited a synergistic integration of excellent properties, indicative of the successful construction of a heterostructure within the nanocomposite. Furthermore, the photocatalytic efficiency of the nanocomposite was evaluated for the degradation of the pharmaceutical pollutant fluoroquinolone levofloxacin (LEVO), and it outperformed individual photocatalysts. Notably, the zeolite/Fe3O4/CuS/CuWO4 nanocomposite achieved an impressive degradation rate of approximately 82.67% of LEVO after 120 min of exposure. Importantly, the synthesized nanocomposite demonstrated excellent reusability, with a photodegradation efficiency of 60.45% after the fifth cycle of LEVO degradation, as there was no significant loss in photocatalytic activity over repeated cycles. Furthermore the highest total organic carbon removal efficiency estimated is 57.43% for heterojunction nanocomposite. These findings highlight the potential of the zeolite/Fe3O4/CuS/CuWO4 heterojunction nanocomposite as an effective, eco-friendly photocatalyst for pharmaceutical pollutant removal from the environment.
{"title":"Construction of ternary heterostructure of zeolite/Fe3O4/CuS/CuWO4 as a reusable: Characterization studies","authors":"Alyaa Hussein Ali, Abeer I. Alwared","doi":"10.1002/apj.3125","DOIUrl":"10.1002/apj.3125","url":null,"abstract":"<p>The presence of pharmaceutical pollutants in the environment has become a growing concern due to their persistence and toxic nature. In response to this issue, semiconductor photocatalyst materials have emerged as promising candidates for environmental pollutant removal, particularly under solar light irradiation. In this study, we developed a novel zeolite/Fe<sub>3</sub>O<sub>4</sub>/CuS/CuWO<sub>4</sub> heterojunction nanocomposite through a simple and facile method. The fabrication process involved a multistep approach wherein Fe<sub>3</sub>O<sub>4</sub>, CuS, and CuWO<sub>4</sub> were incorporated onto the surface of pure zeolite nanoparticles. X-ray diffraction, scanning electron microscope, transmission electron microscope, ultraviolet–visible diffuse reflectance spectroscopy, Fourier transform infrared, photoluminescence, and vibrating sample magnetometry were analyzed. The results demonstrated that the zeolite/Fe<sub>3</sub>O<sub>4</sub>/CuS/CuWO<sub>4</sub> heterojunction nanocomposite exhibited a synergistic integration of excellent properties, indicative of the successful construction of a heterostructure within the nanocomposite. Furthermore, the photocatalytic efficiency of the nanocomposite was evaluated for the degradation of the pharmaceutical pollutant fluoroquinolone levofloxacin (LEVO), and it outperformed individual photocatalysts. Notably, the zeolite/Fe<sub>3</sub>O<sub>4/</sub>CuS/CuWO<sub>4</sub> nanocomposite achieved an impressive degradation rate of approximately 82.67% of LEVO after 120 min of exposure. Importantly, the synthesized nanocomposite demonstrated excellent reusability, with a photodegradation efficiency of 60.45% after the fifth cycle of LEVO degradation, as there was no significant loss in photocatalytic activity over repeated cycles. Furthermore the highest total organic carbon removal efficiency estimated is 57.43% for heterojunction nanocomposite. These findings highlight the potential of the zeolite/Fe<sub>3</sub>O<sub>4</sub>/CuS/CuWO<sub>4</sub> heterojunction nanocomposite as an effective, eco-friendly photocatalyst for pharmaceutical pollutant removal from the environment.</p>","PeriodicalId":49237,"journal":{"name":"Asia-Pacific Journal of Chemical Engineering","volume":"19 5","pages":""},"PeriodicalIF":1.4,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141786206","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Kadhim Al-Chlaihawi, Bahjat Hassan Alyas, Banan Najim Abdullah
Thermal systems for solar air heating have been widely used in both industrial and residential contexts, and are essential for converting and recovering solar energy. Thermal performance in solar air heaters (SAHs) can be improved through the repetitive application of artificial roughness to the surfaces. This research work includes a numerical evaluation of SAH performance with artificial rough surfaces made up of combined transverse trapezoidal ribs and chamfered grooves. The ANSYS Fluent software version 2023 R1 was used to simulate SAH with varying relative roughness pitch (