Pub Date : 2024-08-22DOI: 10.1016/j.jiec.2024.08.030
Ming-Ting Lee, Hsuan-Han Chiu, Bor-Yih Yu
This study firstly explores six process configurations for the conversion of CO to propanol via direct hydrogenation. The variations in the proposed configurations lie in the technologies used for off-gas treatment (such as pressure swing adsorption, oxyfuel combustion, autothermal reforming, and chemical absorption) and the intensification of separation (including the incorporation of the hydration reaction of ethylene oxide) within the process. Energy efficiency analysis, techno-economic analysis (in minimum required selling price, MRSP), and life cycle assessment (on global warming potential, GWP) were conducted to evaluate all proposed schemes. Overall, this study suggests that enhancing the selectivity towards propanol and implementing a suitable off-gas treatment strategy are crucial for this process. Based on the findings, we recommend Scheme 4, which involves auto-thermal reforming for off-gas treatment, as the optimal configuration. It leads to an energy efficiency of 45.33 %. Despite the higher MRSP (3.12 USD/kg when using grey H, 7.45 USD/kg when using green H, commercial process: 1.4 to 1.6 USD/kg), it significantly reduces GWP (3.19 kg-CO-eq/kg when using grey H, 1.59 kg-CO-eq/kg when using green H) created from the conventional process (6.77 kg-CO-eq/kg). Given appropriate economic incentives, the proposed process could serve as a more environmentally friendly option for propanol production.
本研究首先探讨了通过直接加氢将一氧化碳转化为丙醇的六种工艺配置。拟议配置的不同之处在于废气处理技术（如变压吸附、富氧燃烧、自热重整和化学吸收）和工艺中分离强化（包括环氧乙烷水合反应的加入）。为评估所有建议方案，还进行了能效分析、技术经济分析（按最低所需售价计算）和生命周期评估（按全球升温潜能值计算）。总之，本研究表明，提高对丙醇的选择性和实施合适的废气处理策略对该工艺至关重要。根据研究结果，我们推荐方案 4 作为最佳配置，该方案涉及废气处理的自动热重整。该方案的能源效率为 45.33%。尽管 MRSP 较高（使用灰色 H 时为 3.12 美元/千克，使用绿色 H 时为 7.45 美元/千克，商业工艺则为 1.4 至 1.6 美元/千克），但该方案的能效比仍较高：1.4 至 1.6 美元/千克），但与传统工艺（6.77 千克-CO-eq/千克）相比，它显著降低了全球升温潜能值（使用灰色 H 时为 3.19 千克-CO-eq/千克，使用绿色 H 时为 1.59 千克-CO-eq/千克）。如果有适当的经济激励措施，拟议的工艺可作为丙醇生产中更环保的选择。
{"title":"Exploration of environmentally friendly processes for converting CO2 into propanol through direct hydrogenation","authors":"Ming-Ting Lee, Hsuan-Han Chiu, Bor-Yih Yu","doi":"10.1016/j.jiec.2024.08.030","DOIUrl":"https://doi.org/10.1016/j.jiec.2024.08.030","url":null,"abstract":"This study firstly explores six process configurations for the conversion of CO to propanol via direct hydrogenation. The variations in the proposed configurations lie in the technologies used for off-gas treatment (such as pressure swing adsorption, oxyfuel combustion, autothermal reforming, and chemical absorption) and the intensification of separation (including the incorporation of the hydration reaction of ethylene oxide) within the process. Energy efficiency analysis, techno-economic analysis (in minimum required selling price, MRSP), and life cycle assessment (on global warming potential, GWP) were conducted to evaluate all proposed schemes. Overall, this study suggests that enhancing the selectivity towards propanol and implementing a suitable off-gas treatment strategy are crucial for this process. Based on the findings, we recommend Scheme 4, which involves auto-thermal reforming for off-gas treatment, as the optimal configuration. It leads to an energy efficiency of 45.33 %. Despite the higher MRSP (3.12 USD/kg when using grey H, 7.45 USD/kg when using green H, commercial process: 1.4 to 1.6 USD/kg), it significantly reduces GWP (3.19 kg-CO-eq/kg when using grey H, 1.59 kg-CO-eq/kg when using green H) created from the conventional process (6.77 kg-CO-eq/kg). Given appropriate economic incentives, the proposed process could serve as a more environmentally friendly option for propanol production.","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"266 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2024-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211245","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Chloride ion batteries (CIBs) possess the multiple advantages of high theoretical volumetric energy density, abundant precursor resources and high safety due to the dendrit-free characteristic, which provide more choices and opportunities for electrochemical energy storage. In this work, NiFe LDH nanosheets with different interlayer spacing are prepared using a simple co-precipitation method with the interlayer spacing of LDH nanosheets extended from 7.695 Å to 24.114 Å. Expanding interlayer space of LDHs nanoplates helps to the promote ion diffusion and enhance their action kinetics. Additionally, the increased oleophobicity between NiFe LDH nanosheets cathode with increased interlayer spacing and solvent PC is beneficial for the structural stability of the materials during cycling. Compared with typical chloride ion-intercalated NiFe LDH nanosheets, the NiFe-CHO LDH with the maximum interlayer spacing demonstrates a performance improvement of about 213 % (with a discharge specific capacity of 64.2 mAh/g after 200 cycles) at high current density and good rate performance. This work provides a simple and effective interlayer spacing control strategy for the design of CIBs cathodes under high current density.
{"title":"Interlayer-spacing regulation of NiFe LDH nanosheets cathode with high rate performance for chloride ion battery","authors":"Yunjia Wu, Qingyan Yuan, Zelin Wu, Zeyu Zhao, Qing Yin, Jingbin Han","doi":"10.1016/j.jiec.2024.08.021","DOIUrl":"https://doi.org/10.1016/j.jiec.2024.08.021","url":null,"abstract":"Chloride ion batteries (CIBs) possess the multiple advantages of high theoretical volumetric energy density, abundant precursor resources and high safety due to the dendrit-free characteristic, which provide more choices and opportunities for electrochemical energy storage. In this work, NiFe LDH nanosheets with different interlayer spacing are prepared using a simple co-precipitation method with the interlayer spacing of LDH nanosheets extended from 7.695 Å to 24.114 Å. Expanding interlayer space of LDHs nanoplates helps to the promote ion diffusion and enhance their action kinetics. Additionally, the increased oleophobicity between NiFe LDH nanosheets cathode with increased interlayer spacing and solvent PC is beneficial for the structural stability of the materials during cycling. Compared with typical chloride ion-intercalated NiFe LDH nanosheets, the NiFe-CHO LDH with the maximum interlayer spacing demonstrates a performance improvement of about 213 % (with a discharge specific capacity of 64.2 mAh/g after 200 cycles) at high current density and good rate performance. This work provides a simple and effective interlayer spacing control strategy for the design of CIBs cathodes under high current density.","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"1 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2024-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142226763","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2024-08-19DOI: 10.1016/j.jiec.2024.08.026
Milad Ja Lilian, Rabin Bissessur, Kang Kang, Quan Sophia He, Yulin Hu
The use of solid porous materials for CO capture is a more environmentally benign approach than conventional wet scrubbing using amine-based solutions. Therefore, in this study, porous carbon materials were prepared using sawdust through hydrothermal carbonization (HTC) to produce hydrochar, followed by KOH activation. The results showed that KOH-activated hydrochar had a specific surface area of 646–1195 m/g, and a micropore area of 547–1059 m/g, indicating a microporous structure was developed. The highest CO adsorption capacity at tested adsorption temperatures was achieved from activated hydrochar obtained at 750 °C (40 °C: 0.95 mmol/g; 75 °C: 0.80 mmol/g), which is higher than pristine hydrochar (40 °C: 0.05 mmol/g; 75 °C: 0.04 mmol/g). Physisorption through pore diffusion and surface coverage and chemisorption involving formation of covalent bonds between adsorbent’s surface functionality and CO both contributed to CO adsorption. Importantly, the presence of N-containing chemicals, particularly the presence of N-containing functional groups on the surface, played an important role in CO adsorption capacity. Based on the current results and relevant literature, the development of ultra-micropore and the introduction of more N-containing functional groups to the surface would be the research focuses to further increase the CO adsorption capacity.
与使用胺类溶液的传统湿法洗涤相比，使用固体多孔材料捕集一氧化碳是一种更环保的方法。因此，在本研究中，使用锯屑通过水热碳化（HTC）制备出水炭，然后再用 KOH 活化，制备出多孔炭材料。结果表明，KOH 活化后的水炭比表面积为 646-1195 m/g，微孔面积为 547-1059 m/g，表明形成了微孔结构。在测试的吸附温度下，750 °C 下获得的活化水碳对 CO 的吸附容量最高（40 °C: 0.95 mmol/g；75 °C: 0.80 mmol/g），高于原始水碳（40 °C: 0.05 mmol/g；75 °C: 0.04 mmol/g）。通过孔隙扩散和表面覆盖的物理吸附以及吸附剂表面官能团与 CO 之间形成共价键的化学吸附都有助于 CO 的吸附。重要的是，含 N 化学物质的存在，尤其是表面含 N 官能团的存在，对 CO 吸附能力起着重要作用。根据目前的研究结果和相关文献，开发超微孔和在表面引入更多的含 N 官能团将是进一步提高 CO 吸附能力的研究重点。
{"title":"Study of KOH-activated hydrochar for CO2 adsorption","authors":"Milad Ja Lilian, Rabin Bissessur, Kang Kang, Quan Sophia He, Yulin Hu","doi":"10.1016/j.jiec.2024.08.026","DOIUrl":"https://doi.org/10.1016/j.jiec.2024.08.026","url":null,"abstract":"The use of solid porous materials for CO capture is a more environmentally benign approach than conventional wet scrubbing using amine-based solutions. Therefore, in this study, porous carbon materials were prepared using sawdust through hydrothermal carbonization (HTC) to produce hydrochar, followed by KOH activation. The results showed that KOH-activated hydrochar had a specific surface area of 646–1195 m/g, and a micropore area of 547–1059 m/g, indicating a microporous structure was developed. The highest CO adsorption capacity at tested adsorption temperatures was achieved from activated hydrochar obtained at 750 °C (40 °C: 0.95 mmol/g; 75 °C: 0.80 mmol/g), which is higher than pristine hydrochar (40 °C: 0.05 mmol/g; 75 °C: 0.04 mmol/g). Physisorption through pore diffusion and surface coverage and chemisorption involving formation of covalent bonds between adsorbent’s surface functionality and CO both contributed to CO adsorption. Importantly, the presence of N-containing chemicals, particularly the presence of N-containing functional groups on the surface, played an important role in CO adsorption capacity. Based on the current results and relevant literature, the development of ultra-micropore and the introduction of more N-containing functional groups to the surface would be the research focuses to further increase the CO adsorption capacity.","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"17 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2024-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211255","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2024-08-18DOI: 10.1016/j.jiec.2024.08.017
Jingdong Yang, Gang Li, Long Gao, Yiting Zhao, Haiyong Zhang, Yonggang Wang
The aromatization degree of MP is closely related to the orientation of carbon fibers, which determines their properties. To investigate the effect of the aromatization degree of MP on the properties of carbon fibers, this study prepared MP with varying aromatization degrees using the self-pressurization/N-blowing two-stage thermal condensation method with refined coal tar pitch as raw material. Mesophase pitch-based carbon fibers (MPCFs) were obtained through melt spinning, pre-oxidation, and carbonization processes. Results show that the C/H atomic ratio rises from 2.067 to 2.318 as the aromatization degree of MP increases. After carbonization at 1300 ℃, the microcrystalline structure of MPCFs becomes ordered, with obvious axial radiation in the cross-section. The carbon layers in MPCFs are tightly stacked in parallel, significantly improving tensile strength and modulus. When the C/H atomic ratio of MP exceeds 2.262, the resulting MPCFs exhibit a maximum tensile strength of 1389 MPa and a maximum tensile modulus of 167 GPa. However, when the C/H atomic ratio of MP exceeds 2.318, the excessive aromatization degree makes the MPCFs structure prone to cracking due to circumferential volume shrinkage, and the appearance of cracks reduces the tensile strength of MPCFs.
{"title":"Effect of aromatization degree of mesophase pitch on cracks and mechanical properties of mesophase pitch-based carbon fibers","authors":"Jingdong Yang, Gang Li, Long Gao, Yiting Zhao, Haiyong Zhang, Yonggang Wang","doi":"10.1016/j.jiec.2024.08.017","DOIUrl":"https://doi.org/10.1016/j.jiec.2024.08.017","url":null,"abstract":"The aromatization degree of MP is closely related to the orientation of carbon fibers, which determines their properties. To investigate the effect of the aromatization degree of MP on the properties of carbon fibers, this study prepared MP with varying aromatization degrees using the self-pressurization/N-blowing two-stage thermal condensation method with refined coal tar pitch as raw material. Mesophase pitch-based carbon fibers (MPCFs) were obtained through melt spinning, pre-oxidation, and carbonization processes. Results show that the C/H atomic ratio rises from 2.067 to 2.318 as the aromatization degree of MP increases. After carbonization at 1300 ℃, the microcrystalline structure of MPCFs becomes ordered, with obvious axial radiation in the cross-section. The carbon layers in MPCFs are tightly stacked in parallel, significantly improving tensile strength and modulus. When the C/H atomic ratio of MP exceeds 2.262, the resulting MPCFs exhibit a maximum tensile strength of 1389 MPa and a maximum tensile modulus of 167 GPa. However, when the C/H atomic ratio of MP exceeds 2.318, the excessive aromatization degree makes the MPCFs structure prone to cracking due to circumferential volume shrinkage, and the appearance of cracks reduces the tensile strength of MPCFs.","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"11 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2024-08-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211250","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2024-08-18DOI: 10.1016/j.jiec.2024.08.024
Elisabetta Grazia Tomarchio, Chiara Zagni, Rita Turnaturi, Sandro Dattilo, Vincenzo Patamia, Giuseppe Floresta, Sabrina Carola Carroccio, Tommaso Mecca, Antonio Rescifina
The rising atmospheric carbon dioxide (CO) levels significantly contribute to climate change. Converting CO into valuable products offers an attractive strategy to mitigate its environmental impact. Here, we present a highly efficient, solvent-free method for CO₂ fixation into cyclic carbonates using a novel green catalyst, β-cyclodextrin, linked to an imidazolium-based ionic liquid (β-CD-ImBr). This catalyst facilitates the conversion of various terminal and internal epoxides into cyclic carbonates with exceptional performance. Notably, β-CD-ImBr achieves up to 98 % conversion of styrene oxide to its corresponding carbonate within 24 h at 120 °C, demonstrating significant activity without needing a co-catalyst. Operating under solvent-free conditions, this method avoids environmentally harmful synthetic pathways by utilizing the hydroxyl groups of cyclodextrins as hydrogen bond donors and employing the bromine counterion to facilitate epoxide ring opening. Mechanistic studies reveal that β-CD-ImBr enhances catalytic performance by lowering the activation energy of the rate-limiting step through its hydrogen bond acceptor properties. Importantly, the catalyst is both recyclable and reusable, highlighting its cost-effectiveness and environmental benefits. This approach represents a significant advancement in sustainable chemistry, offering a green alternative for CO₂ fixation.
{"title":"Efficient green solvent-free CO2/epoxide cycloaddition catalyzed by a β-cyclodextrin-imidazolium-based ionic liquid","authors":"Elisabetta Grazia Tomarchio, Chiara Zagni, Rita Turnaturi, Sandro Dattilo, Vincenzo Patamia, Giuseppe Floresta, Sabrina Carola Carroccio, Tommaso Mecca, Antonio Rescifina","doi":"10.1016/j.jiec.2024.08.024","DOIUrl":"https://doi.org/10.1016/j.jiec.2024.08.024","url":null,"abstract":"The rising atmospheric carbon dioxide (CO) levels significantly contribute to climate change. Converting CO into valuable products offers an attractive strategy to mitigate its environmental impact. Here, we present a highly efficient, solvent-free method for CO₂ fixation into cyclic carbonates using a novel green catalyst, β-cyclodextrin, linked to an imidazolium-based ionic liquid (β-CD-ImBr). This catalyst facilitates the conversion of various terminal and internal epoxides into cyclic carbonates with exceptional performance. Notably, β-CD-ImBr achieves up to 98 % conversion of styrene oxide to its corresponding carbonate within 24 h at 120 °C, demonstrating significant activity without needing a co-catalyst. Operating under solvent-free conditions, this method avoids environmentally harmful synthetic pathways by utilizing the hydroxyl groups of cyclodextrins as hydrogen bond donors and employing the bromine counterion to facilitate epoxide ring opening. Mechanistic studies reveal that β-CD-ImBr enhances catalytic performance by lowering the activation energy of the rate-limiting step through its hydrogen bond acceptor properties. Importantly, the catalyst is both recyclable and reusable, highlighting its cost-effectiveness and environmental benefits. This approach represents a significant advancement in sustainable chemistry, offering a green alternative for CO₂ fixation.","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"26 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2024-08-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211249","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2024-08-17DOI: 10.1016/j.jiec.2024.08.025
Myung Kyun Lim, Ji Sub Yun, Kyung Ho Cho, Ji Woong Yoon, U-Hwang Lee, Alexandre Ferreira, Ana Mafalda Ribeiro, Idelfonso B.R. Nogueira, Jaedeuk Park, Jin-Kuk Kim, Kiwoong Kim
A bilevel optimization methodology was developed for separating ethane and ethylene using vacuum pressure swing adsorption. Data generated through Latin hypercube sampling and normalization were employed to construct a neural network at a lower level, serving as a surrogate model for the comprehensive first-principle adsorption process. Following sensitivity analysis based on Monte Carlo simulation, optimization, data resampling, and reconciliation were performed at an upper level. Two cases were performed to optimize the ethane and ethylene separation process. In the first scenario, ethylene recovery was optimized under a purity constraint, resulting in an enhancement from 65.28 % to 87.19 %. In the second scenario, both ethylene recovery and energy consumption were simultaneously optimized with the purity constraint, leading to the generation of a Pareto front. From this Pareto front, two operating conditions were determined: one using TOPSIS and the other aimed at reducing energy consumption from a conventional distillation column to 0.733 MJ/kg-ethylene. Compared to conventional distillation, the vacuum pressure swing adsorption (VPSA) process showed 82.8 % recovery with 0.747 MJ/kg-ethylene and 72.21 % recovery with 0.683 MJ/kg-ethylene. A dynamic analysis and an economic analysis of scaling up VPSA process were performed to compare with C splitter.
{"title":"Multi-objective optimization of ANN-based vacuum pressure swing adsorption process for ethane and ethylene separation","authors":"Myung Kyun Lim, Ji Sub Yun, Kyung Ho Cho, Ji Woong Yoon, U-Hwang Lee, Alexandre Ferreira, Ana Mafalda Ribeiro, Idelfonso B.R. Nogueira, Jaedeuk Park, Jin-Kuk Kim, Kiwoong Kim","doi":"10.1016/j.jiec.2024.08.025","DOIUrl":"https://doi.org/10.1016/j.jiec.2024.08.025","url":null,"abstract":"A bilevel optimization methodology was developed for separating ethane and ethylene using vacuum pressure swing adsorption. Data generated through Latin hypercube sampling and normalization were employed to construct a neural network at a lower level, serving as a surrogate model for the comprehensive first-principle adsorption process. Following sensitivity analysis based on Monte Carlo simulation, optimization, data resampling, and reconciliation were performed at an upper level. Two cases were performed to optimize the ethane and ethylene separation process. In the first scenario, ethylene recovery was optimized under a purity constraint, resulting in an enhancement from 65.28 % to 87.19 %. In the second scenario, both ethylene recovery and energy consumption were simultaneously optimized with the purity constraint, leading to the generation of a Pareto front. From this Pareto front, two operating conditions were determined: one using TOPSIS and the other aimed at reducing energy consumption from a conventional distillation column to 0.733 MJ/kg-ethylene. Compared to conventional distillation, the vacuum pressure swing adsorption (VPSA) process showed 82.8 % recovery with 0.747 MJ/kg-ethylene and 72.21 % recovery with 0.683 MJ/kg-ethylene. A dynamic analysis and an economic analysis of scaling up VPSA process were performed to compare with C splitter.","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"58 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2024-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211251","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2024-08-16DOI: 10.1016/j.jiec.2024.08.019
Xiang Zhang, Jian Tian, Xinye Wang, Yanchao Zhu, Tanghui Hu, Pan Hu
Following the power and steel industries, nitrogen oxides (NO) in the cement industry have become an important part of the next stage of air pollutant control. Consequently, the multiphase flow simulation of an in-line coal gasification denitration system was carried out using the computational fluid dynamics (CFD) approach. Among them, the solid phase is simulated by the Multiphase Particle-In-Cell (MP-PIC) method, and the gas phase turbulence is accurately captured by the large eddy simulation (LES) method. The flow field characteristics distribution and the reaction kinetic of NO under different parameters (coal, raw meal, tertiary air) in the gasifier were investigated, and the operating condition values for guiding industrial applications are obtained. The simulation results show that the gasifier can completely remove NO from the rotary kiln at 2.8 kg/s for coal, 30 kg/s for raw meal and 2.5 kg/s for tertiary air. The application results show that under 1.6 kg/t.cl of ammonia water combined with SNCR, NO emission and ammonia slip can be controlled below 50 mg/Nm and 5 mg/Nm, respectively. Compared to similar denitrification technologies, this technology shows the potential to achieve ultra-low NO emission levels in the cement industry.
{"title":"Multiphase flow simulation and industrial application of an in-line gasifier for NOx emissions control from cement kiln","authors":"Xiang Zhang, Jian Tian, Xinye Wang, Yanchao Zhu, Tanghui Hu, Pan Hu","doi":"10.1016/j.jiec.2024.08.019","DOIUrl":"https://doi.org/10.1016/j.jiec.2024.08.019","url":null,"abstract":"Following the power and steel industries, nitrogen oxides (NO) in the cement industry have become an important part of the next stage of air pollutant control. Consequently, the multiphase flow simulation of an in-line coal gasification denitration system was carried out using the computational fluid dynamics (CFD) approach. Among them, the solid phase is simulated by the Multiphase Particle-In-Cell (MP-PIC) method, and the gas phase turbulence is accurately captured by the large eddy simulation (LES) method. The flow field characteristics distribution and the reaction kinetic of NO under different parameters (coal, raw meal, tertiary air) in the gasifier were investigated, and the operating condition values for guiding industrial applications are obtained. The simulation results show that the gasifier can completely remove NO from the rotary kiln at 2.8 kg/s for coal, 30 kg/s for raw meal and 2.5 kg/s for tertiary air. The application results show that under 1.6 kg/t.cl of ammonia water combined with SNCR, NO emission and ammonia slip can be controlled below 50 mg/Nm and 5 mg/Nm, respectively. Compared to similar denitrification technologies, this technology shows the potential to achieve ultra-low NO emission levels in the cement industry.","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"36 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2024-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211254","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Comprehensive synergistic effect of LaO-AlO on the catalytic performance of transesterification reaction of palm oil with methanol for biodiesel production was studied. The prepared catalyst possessed bifunctional acid-base properties. The well-balanced of acido-basic sites amounts over the catalyst at the LaO loading of 40 % and the calcined temperature of 600 °C gave the maximum fatty acid methyl ester (FAME) content of 93.12 %, under the optimum conditions of 1:30 molar ratio of oil to methanol, 200 °C reaction temperature, 39 bar reaction pressure, 5 wt% catalyst loading and 5 h reaction time. The catalyst exhibited reasonable stability. The partial leaching of La ions and deposition of organics resulted in the loss of activity. The results showed that the catalyst generated new weak basic sites and more effective in the transesterification compared to strong basic sites as reported previously. The different strengths of new acid sites were also formed. The balancing of acid-base sites amount was a key to control the catalytic activity and the formation of side reactions. This gives critical guidance in further catalyst development for biodiesel production of waste oils or low-quality oils via simultaneous esterification and transesterification, which helps the biodiesel system being economical and scalable.
{"title":"Synergistic effect of La2O3-Al2O3 based catalysts for efficient biodiesel production","authors":"Wilasinee Kingkam, Sasikarn Nuchdang, Chantaraporn Phalakornkule, Unchalee Suwanmanee, Dussadee Rattanaphra","doi":"10.1016/j.jiec.2024.08.023","DOIUrl":"https://doi.org/10.1016/j.jiec.2024.08.023","url":null,"abstract":"Comprehensive synergistic effect of LaO-AlO on the catalytic performance of transesterification reaction of palm oil with methanol for biodiesel production was studied. The prepared catalyst possessed bifunctional acid-base properties. The well-balanced of acido-basic sites amounts over the catalyst at the LaO loading of 40 % and the calcined temperature of 600 °C gave the maximum fatty acid methyl ester (FAME) content of 93.12 %, under the optimum conditions of 1:30 molar ratio of oil to methanol, 200 °C reaction temperature, 39 bar reaction pressure, 5 wt% catalyst loading and 5 h reaction time. The catalyst exhibited reasonable stability. The partial leaching of La ions and deposition of organics resulted in the loss of activity. The results showed that the catalyst generated new weak basic sites and more effective in the transesterification compared to strong basic sites as reported previously. The different strengths of new acid sites were also formed. The balancing of acid-base sites amount was a key to control the catalytic activity and the formation of side reactions. This gives critical guidance in further catalyst development for biodiesel production of waste oils or low-quality oils via simultaneous esterification and transesterification, which helps the biodiesel system being economical and scalable.","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"50 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2024-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211253","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2024-08-14DOI: 10.1016/j.jiec.2024.08.018
Sen Yang, Qiang Sun
Sulfur-containing polymer with covalent C-S bonds has become an ideal alternative cathode of element sulfur for lithium-sulfur battery. However, the rational design of polymer structure with high sulfur content and enhanced electrochemical performance of Li-S battery is still a great challenge. In this study, a facial synthesis of sulfur-containing polymer by using 1,2,3-trichloropropane and sulfur as starting materials at a mild condition was reported, and the covalent anchoring of the C-S bonds within the polymer effectively inhibited the shuttle effect of polysulfides, providing a splendid internal environment for the diffusion of lithium ions. As a result, the rich sulfur content (higher than 80 %) and its homogeneous distribution in the polymer backbone determined the excellent rate performance of obtained sulfur-containing polymers. In terms of cycling performance, the reversible specific capacity of the battery is 396 mAh/g after 500 cycles at a current density of 0.5 A/g and 350 mAh/g after 800 cycles at 1 A/g, with a capacity decay of only 0.06 % per cycle.
{"title":"Sulfur-containing polymers for enhancing rate and cycle performance of lithium-sulfur batteries","authors":"Sen Yang, Qiang Sun","doi":"10.1016/j.jiec.2024.08.018","DOIUrl":"https://doi.org/10.1016/j.jiec.2024.08.018","url":null,"abstract":"Sulfur-containing polymer with covalent C-S bonds has become an ideal alternative cathode of element sulfur for lithium-sulfur battery. However, the rational design of polymer structure with high sulfur content and enhanced electrochemical performance of Li-S battery is still a great challenge. In this study, a facial synthesis of sulfur-containing polymer by using 1,2,3-trichloropropane and sulfur as starting materials at a mild condition was reported, and the covalent anchoring of the C-S bonds within the polymer effectively inhibited the shuttle effect of polysulfides, providing a splendid internal environment for the diffusion of lithium ions. As a result, the rich sulfur content (higher than 80 %) and its homogeneous distribution in the polymer backbone determined the excellent rate performance of obtained sulfur-containing polymers. In terms of cycling performance, the reversible specific capacity of the battery is 396 mAh/g after 500 cycles at a current density of 0.5 A/g and 350 mAh/g after 800 cycles at 1 A/g, with a capacity decay of only 0.06 % per cycle.","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"61 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2024-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142226801","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2024-08-14DOI: 10.1016/j.jiec.2024.08.012
Sin Liou, Cheng-Liang Huang, Fang-Jia Lin, Yu-Chao Chiu, Chu-Pen Liao, Hamed Pourzolfaghar, Yuan-Yao Li
Silicon is one of the most promising anode materials for lithium-ion batteries (LIBs) due to its high theoretical capacity. However, its non-conductive nature and significant volume expansion during lithiation pose challenges. In this study, we developed a novel electrode comprising silicon nanoparticles (nanoSi), carbon nanotubes (CNTs), and carbon black (CB) in cyclized polyacrylonitrile (cPAN), referred to as nanoSi-CNT-CB/cPAN. This electrode is fabricated through a one-step thermal process by heating a cast nanoSi-CNT-CB/PAN film on Cu foil at 310 °C. The LIB performance using the nanoSi-CNT-CB/cPAN electrode shows an impressive initial coulombic efficiency of 93.1 % at 0.1 A g, a high specific capacity of 2267.2 mAh g at 0.5 A g, and a retention of 89.2 % over 390 cycles, achieving 783 mAh g at 5 A g. We attribute these results to the fused cPAN, which provides good adhesion to nanoSi, CNTs, CB, and Cu foil, acting as a binder, active material, and ionic conductive medium. The well-dispersed CNTs and CB form an effective conductive network in the electrode. Additionally, the one-step electrode fabrication is a simple and cost-effective process for next-generation Si-based LIBs.
硅因其理论容量高而成为最有前途的锂离子电池（LIB）负极材料之一。然而，硅的非导电性和在锂化过程中显著的体积膨胀带来了挑战。在本研究中，我们开发了一种新型电极，由纳米硅（nanoSi）、碳纳米管（CNT）和环化聚丙烯腈（cPAN）中的炭黑（CB）组成，称为 nanoSi-CNT-CB/cPAN。这种电极是通过在 310 ℃ 下加热铜箔上的纳米硅-CNT-CB/PAN 铸膜，一步热工艺制成的。使用 nanoSi-CNT-CB/cPAN 电极的 LIB 性能显示，0.1 A g 时的初始库仑效率为 93.1%，0.5 A g 时的高比容量为 2267.2 mAh g，在 390 次循环中的保持率为 89.我们将这些结果归功于熔融 cPAN，它与纳米硅、碳纳米管、CB 和铜箔具有良好的粘附性，可用作粘合剂、活性材料和离子导电介质。充分分散的 CNT 和 CB 在电极中形成了有效的导电网络。此外，一步法电极制造工艺简单、成本效益高，适用于下一代硅基 LIB。
{"title":"One-step fabrication of binder-free nanoSi-CNT-carbon black/cyclized PAN composite anode for high-performance lithium-ion batteries","authors":"Sin Liou, Cheng-Liang Huang, Fang-Jia Lin, Yu-Chao Chiu, Chu-Pen Liao, Hamed Pourzolfaghar, Yuan-Yao Li","doi":"10.1016/j.jiec.2024.08.012","DOIUrl":"https://doi.org/10.1016/j.jiec.2024.08.012","url":null,"abstract":"Silicon is one of the most promising anode materials for lithium-ion batteries (LIBs) due to its high theoretical capacity. However, its non-conductive nature and significant volume expansion during lithiation pose challenges. In this study, we developed a novel electrode comprising silicon nanoparticles (nanoSi), carbon nanotubes (CNTs), and carbon black (CB) in cyclized polyacrylonitrile (cPAN), referred to as nanoSi-CNT-CB/cPAN. This electrode is fabricated through a one-step thermal process by heating a cast nanoSi-CNT-CB/PAN film on Cu foil at 310 °C. The LIB performance using the nanoSi-CNT-CB/cPAN electrode shows an impressive initial coulombic efficiency of 93.1 % at 0.1 A g, a high specific capacity of 2267.2 mAh g at 0.5 A g, and a retention of 89.2 % over 390 cycles, achieving 783 mAh g at 5 A g. We attribute these results to the fused cPAN, which provides good adhesion to nanoSi, CNTs, CB, and Cu foil, acting as a binder, active material, and ionic conductive medium. The well-dispersed CNTs and CB form an effective conductive network in the electrode. Additionally, the one-step electrode fabrication is a simple and cost-effective process for next-generation Si-based LIBs.","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"17 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2024-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211252","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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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