To mitigate the rising threat to global climate aroused by dramatically increasing anthropogenic CO2 emissions in recent years, the Paris Agreement sets a goal of limiting the rise in average global temperatures to 1.5 to 2 °C over preindustrial times. Traditional negative emissions technologies (NETs) are important approaches to reach that goal, but it is still not enough from a long-term perspective. Therefore, the research on direct air capture (DAC) is imperative now as a new promising approach. This paper first summarizes the different systems DAC can deal with, such as gas/solid, gas/liquid, and gas/polymer systems, and then illustrates the thermodynamic feasibilities of DAC under each condition. From a perspective of industrial practice, the review presents several hopeful chemical technologies from many aspects including capturing material, process flow, and techno-economic analysis, with contents allocated by the maturity of the technology. This review especially analyzes demonstration plants like Climeworks and explores experiences about how to transform early laboratory results based on unit operation into large-scale production. Finally, this review discusses the advantages and disadvantages of the technologies mentioned and provides some suggestions for future research and development.
{"title":"Review on Advances and Prospectives of Direct Air Capture: Thermodynamic Verification, Optimized Material Selection, and Technical Economic Assessment for the Application","authors":"Chao Yi, Bin Guan, Zhongqi Zhuang, Junyan Chen, Jiangfeng Guo, Yujun Chen, Zeren Ma, Chenyu Zhu, SiKai Zhao, Hongtao Dang, Lei Chen, Kaiyou Shu, Yuan Li, Kuangyi Shi, Zelong Guo, Jingqiu Hu, Xuehan Hu, Zhen Huang","doi":"10.1021/acs.iecr.4c00684","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c00684","url":null,"abstract":"To mitigate the rising threat to global climate aroused by dramatically increasing anthropogenic CO<sub>2</sub> emissions in recent years, the Paris Agreement sets a goal of limiting the rise in average global temperatures to 1.5 to 2 °C over preindustrial times. Traditional negative emissions technologies (NETs) are important approaches to reach that goal, but it is still not enough from a long-term perspective. Therefore, the research on direct air capture (DAC) is imperative now as a new promising approach. This paper first summarizes the different systems DAC can deal with, such as gas/solid, gas/liquid, and gas/polymer systems, and then illustrates the thermodynamic feasibilities of DAC under each condition. From a perspective of industrial practice, the review presents several hopeful chemical technologies from many aspects including capturing material, process flow, and techno-economic analysis, with contents allocated by the maturity of the technology. This review especially analyzes demonstration plants like Climeworks and explores experiences about how to transform early laboratory results based on unit operation into large-scale production. Finally, this review discusses the advantages and disadvantages of the technologies mentioned and provides some suggestions for future research and development.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141462107","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 : 2024-06-27DOI: 10.1021/acs.iecr.4c01190
Shuaifeng Liu, Edouard Asselin, Zhibao Li
The disposal of titanogypsum, also known as red gypsum, which is generated during the titanium dioxide sulfate process, has become a significant environmental challenge. We propose a new process to recover iron impurities such as FeCl2·4H2O and to convert titanogypsum to saleable hemihydrate gypsum. For this purpose, we use HCl–FeCl2 solution generated via the reaction of H2SO4–FeSO4 with CaCl2 to leach iron hydroxide from titanogypsum. The hemihydrate precipitation and phase-transition kinetics of the reaction of HCl–H2SO4–FeSO4 with CaCl2 are experimentally investigated at 353 K. The common ion effect of CaCl2 in the FeCl2 solution for FeCl2·4H2O crystallization is predicted by NRTL modeling of the solid–liquid equilibria of the FeCl2–CaCl2–H2O system. High-quality, saleable α-gypsum and FeCl2·4H2O solids obtained by treating titanogypsum samples provided by a commercial processing plant further shows that the new process is feasible.
{"title":"Process for the Remediation of Titanogypsum (Red Gypsum) Using Weak Acid and CaCl2 to Produce Saleable α-Gypsum and FeCl2·4H2O","authors":"Shuaifeng Liu, Edouard Asselin, Zhibao Li","doi":"10.1021/acs.iecr.4c01190","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c01190","url":null,"abstract":"The disposal of titanogypsum, also known as red gypsum, which is generated during the titanium dioxide sulfate process, has become a significant environmental challenge. We propose a new process to recover iron impurities such as FeCl<sub>2</sub>·4H<sub>2</sub>O and to convert titanogypsum to saleable hemihydrate gypsum. For this purpose, we use HCl–FeCl<sub>2</sub> solution generated via the reaction of H<sub>2</sub>SO<sub>4</sub>–FeSO<sub>4</sub> with CaCl<sub>2</sub> to leach iron hydroxide from titanogypsum. The hemihydrate precipitation and phase-transition kinetics of the reaction of HCl–H<sub>2</sub>SO<sub>4</sub>–FeSO<sub>4</sub> with CaCl<sub>2</sub> are experimentally investigated at 353 K. The common ion effect of CaCl<sub>2</sub> in the FeCl<sub>2</sub> solution for FeCl<sub>2</sub>·4H<sub>2</sub>O crystallization is predicted by NRTL modeling of the solid–liquid equilibria of the FeCl<sub>2</sub>–CaCl<sub>2</sub>–H<sub>2</sub>O system. High-quality, saleable α-gypsum and FeCl<sub>2</sub>·4H<sub>2</sub>O solids obtained by treating titanogypsum samples provided by a commercial processing plant further shows that the new process is feasible.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141462045","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 : 2024-06-27DOI: 10.1021/acs.iecr.4c01022
Viraj Khasgiwale, Jyotsna T. Waghmare, Parag R. Gogate
The intensified process for synthesis of tricaprin from capric acid and glycerol is demonstrated using ultrasound in the presence of para-toluene sulfonic acid (PTSA) as the catalyst. The reaction was performed under solvent-free conditions with a fixed stoichiometric ratio of 3:1 (capric acid:glycerol), focusing on understanding the effect of the ultrasonic power and duty cycle as well as process parameters such as temperature and catalyst loading on the conversion of capric acid to tricaprin. Maximum conversion of 95.5% was obtained under optimum conditions of 100 W power dissipation, 70% duty cycle, 0.5% PTSA loading, and 80 °C. Use of a conventional approach under the same optimum conditions resulted in only 68.92% conversion. The reaction was studied at different temperatures, with and without ultrasound, to estimate the kinetic rate constants. It was found that the reaction followed first-order kinetics with a rapid increase in rate constants with an increase in temperature along with ultrasound. The activation energies were 12.16 and 18.8 kJ/mol for the ultrasound-assisted process and the conventional process, respectively, suggesting the intensification brought about by the use of ultrasound. Overall, it was clearly determined that the ultrasound-based technique intensified the reaction rate and lowered the activation energy compared to the conventional approach.
{"title":"Ultrasound Induced Intensified Synthesis of Tricaprin Using the Homogeneous Acid Catalyst para-Toluene Sulfonic Acid","authors":"Viraj Khasgiwale, Jyotsna T. Waghmare, Parag R. Gogate","doi":"10.1021/acs.iecr.4c01022","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c01022","url":null,"abstract":"The intensified process for synthesis of tricaprin from capric acid and glycerol is demonstrated using ultrasound in the presence of <i>para</i>-toluene sulfonic acid (PTSA) as the catalyst. The reaction was performed under solvent-free conditions with a fixed stoichiometric ratio of 3:1 (capric acid:glycerol), focusing on understanding the effect of the ultrasonic power and duty cycle as well as process parameters such as temperature and catalyst loading on the conversion of capric acid to tricaprin. Maximum conversion of 95.5% was obtained under optimum conditions of 100 W power dissipation, 70% duty cycle, 0.5% PTSA loading, and 80 °C. Use of a conventional approach under the same optimum conditions resulted in only 68.92% conversion. The reaction was studied at different temperatures, with and without ultrasound, to estimate the kinetic rate constants. It was found that the reaction followed first-order kinetics with a rapid increase in rate constants with an increase in temperature along with ultrasound. The activation energies were 12.16 and 18.8 kJ/mol for the ultrasound-assisted process and the conventional process, respectively, suggesting the intensification brought about by the use of ultrasound. Overall, it was clearly determined that the ultrasound-based technique intensified the reaction rate and lowered the activation energy compared to the conventional approach.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141462106","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 : 2024-06-27DOI: 10.1021/acs.iecr.4c00456
Afshin Kouhkord, Faridoddin Hassani, Moheb Amirmahani, Ali Golshani, Naser Naserifar, Farhad Sadegh Moghanlou, Ali Tarlani Beris
Intelligent microfluidics in nanoparticle synthesis embodies a comprehensive synergistic approach that merges numerical modeling, artificial intelligence, and experimental analysis, striving for controllability over an energy-efficient microfluidic device designed for nanoparticle synthesis with desired physical properties. This study delves into a microfluidic mass transfer system, employing an innovative methodology that combines data-driven modeling, machine learning-based comparative multiobjective optimization, and experimental analysis to model a micromixing system. A surrogate data-driven model is employed to the microfluidic mass transfer system, considering four critical geometrical parameters and inlet Reynolds as design variables. The model provides insights into mixer’s functionality. It is observed that at lower Reynolds numbers, increasing NoT increases the mixing efficiency by more than 20%. Moreover, altering SNDi value leads to a significant 80% reduction in pressure drop. Identifying the optimal system from numerous design parameters is challenging but accomplished through machine learning. Two distinct machine learning algorithms were integrated with mathematical surrogate modeling to optimize the mixer for three objectives. RSM-Differential Evolution significantly outperforms RSM-NSGA-II in enhancing mixing characteristics and reducing the mechanical energy consumption by over 85%. Additionally, improvement in energy dissipation and effective energy efficiency of microsystem was made, alongside a comparable enhancement of mixing index and management of pressure drop. Fabrication of two optimal designs confirms an over 80% drop in pressure and an increase in mixing efficiency by over 20% at low Reynolds, outperforming conventional microfluidic mixers. The intelligent micromixer allows precise control over nanoparticle synthesis by adjusting microtransfer design parameters. This controlled process is crucial for tissue engineering hydrogel synthesis, nanotechnology, and targeted drug delivery.
{"title":"Controllable Microfluidic System through Intelligent Framework: Data-Driven Modeling, Machine Learning Energy Analysis, Comparative Multiobjective Optimization, and Experimental Study","authors":"Afshin Kouhkord, Faridoddin Hassani, Moheb Amirmahani, Ali Golshani, Naser Naserifar, Farhad Sadegh Moghanlou, Ali Tarlani Beris","doi":"10.1021/acs.iecr.4c00456","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c00456","url":null,"abstract":"Intelligent microfluidics in nanoparticle synthesis embodies a comprehensive synergistic approach that merges numerical modeling, artificial intelligence, and experimental analysis, striving for controllability over an energy-efficient microfluidic device designed for nanoparticle synthesis with desired physical properties. This study delves into a microfluidic mass transfer system, employing an innovative methodology that combines data-driven modeling, machine learning-based comparative multiobjective optimization, and experimental analysis to model a micromixing system. A surrogate data-driven model is employed to the microfluidic mass transfer system, considering four critical geometrical parameters and inlet Reynolds as design variables. The model provides insights into mixer’s functionality. It is observed that at lower Reynolds numbers, increasing NoT increases the mixing efficiency by more than 20%. Moreover, altering <i>SND</i><sub><i>i</i></sub> value leads to a significant 80% reduction in pressure drop. Identifying the optimal system from numerous design parameters is challenging but accomplished through machine learning. Two distinct machine learning algorithms were integrated with mathematical surrogate modeling to optimize the mixer for three objectives. RSM-Differential Evolution significantly outperforms RSM-NSGA-II in enhancing mixing characteristics and reducing the mechanical energy consumption by over 85%. Additionally, improvement in energy dissipation and effective energy efficiency of microsystem was made, alongside a comparable enhancement of mixing index and management of pressure drop. Fabrication of two optimal designs confirms an over 80% drop in pressure and an increase in mixing efficiency by over 20% at low Reynolds, outperforming conventional microfluidic mixers. The intelligent micromixer allows precise control over nanoparticle synthesis by adjusting microtransfer design parameters. This controlled process is crucial for tissue engineering hydrogel synthesis, nanotechnology, and targeted drug delivery.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141463616","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 : 2024-06-26DOI: 10.1021/acs.iecr.4c00390
Ambrish Abhijnan, Kathan Desai, Jiaqi Wang, Alejandro Rodríguez-Martínez, Nouha Dkhili, Raymond Jellema, Ignacio E. Grossmann
This work proposes a multiperiod mixed-integer nonlinear programming (MINLP) model to optimize the complex operations of CO2 buffering in tanks, transport through pipe networks, and storage in depleted reservoirs via injection wells. The main objective of this work is to propose an optimization model that minimizes the overall investment and operation-related costs while meeting the target injection rate. A shrinking time horizon approach and greedy heuristic algorithms are applied to decompose the problem to further reduce the computational time. The results obtained from the proposed MINLP optimization model have shown that it is a useful and computationally effective tool for optimal field management for a long-term carbon capture and storage project.
{"title":"Mixed-Integer Nonlinear Programming Model for Optimal Field Management for Carbon Capture and Storage","authors":"Ambrish Abhijnan, Kathan Desai, Jiaqi Wang, Alejandro Rodríguez-Martínez, Nouha Dkhili, Raymond Jellema, Ignacio E. Grossmann","doi":"10.1021/acs.iecr.4c00390","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c00390","url":null,"abstract":"This work proposes a multiperiod mixed-integer nonlinear programming (MINLP) model to optimize the complex operations of CO<sub>2</sub> buffering in tanks, transport through pipe networks, and storage in depleted reservoirs via injection wells. The main objective of this work is to propose an optimization model that minimizes the overall investment and operation-related costs while meeting the target injection rate. A shrinking time horizon approach and greedy heuristic algorithms are applied to decompose the problem to further reduce the computational time. The results obtained from the proposed MINLP optimization model have shown that it is a useful and computationally effective tool for optimal field management for a long-term carbon capture and storage project.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141462075","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}
Thermoplastic polypropylene (PP) insulated cables, an alternative to cross-linked polyethylene, offer superior insulation, high operating temperature, recyclability, cost-effectiveness, and a limitless cable length. However, challenges such as brittleness at low temperatures and limited flexibility at room temperature impede the application of PP in the field of cable insulation. To address these issues, in-reactor alloy technology seems to be a promising strategy, creating a multiphase system with intrinsic elastomer dispersion in a homopolypropylene matrix. Most of the research on PP-based multiphase systems focuses on enhancing mechanical properties by controlling microscopic structures. A comprehensive understanding of structural evolution during processing and its correlation with the electrical performance of PP thermoplastic insulation materials remains in its infancy. In this study, PP in-reactor alloys with intrinsic elastomers were utilized as model polymeric materials. A novel technology of “melting extrusion–hot stretching–thermal annealing” was employed to manipulate the elastomer phase morphology and crystalline structure. Severe interfacial mismatch during hot stretching initially compromised the mechanical and electrical properties. After thermal annealing, the mechanical and electrical properties were recovered, arising from the reduced rubber deformation and increased crystalline reorganization. The work presented here is expected to help our understanding of the dependence of electrical and mechanical properties on the microstructure of PP in-reactor alloys, providing a valuable reference for the structural design of cable insulation.
{"title":"Hierarchical Structural Evolution, Electrical and Mechanical Performance of Polypropylene Containing Intrinsic Elastomers under Stretching and Annealing for Cable Insulation Applications","authors":"Yu-Ting Zhang, Shuai Hou, De-Long Li, Ya-Jie Cao, Yun-Peng Zhan, Lei Jia, Ming-li Fu, Hua-Dong Huang","doi":"10.1021/acs.iecr.4c01348","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c01348","url":null,"abstract":"Thermoplastic polypropylene (PP) insulated cables, an alternative to cross-linked polyethylene, offer superior insulation, high operating temperature, recyclability, cost-effectiveness, and a limitless cable length. However, challenges such as brittleness at low temperatures and limited flexibility at room temperature impede the application of PP in the field of cable insulation. To address these issues, in-reactor alloy technology seems to be a promising strategy, creating a multiphase system with intrinsic elastomer dispersion in a homopolypropylene matrix. Most of the research on PP-based multiphase systems focuses on enhancing mechanical properties by controlling microscopic structures. A comprehensive understanding of structural evolution during processing and its correlation with the electrical performance of PP thermoplastic insulation materials remains in its infancy. In this study, PP in-reactor alloys with intrinsic elastomers were utilized as model polymeric materials. A novel technology of “melting extrusion–hot stretching–thermal annealing” was employed to manipulate the elastomer phase morphology and crystalline structure. Severe interfacial mismatch during hot stretching initially compromised the mechanical and electrical properties. After thermal annealing, the mechanical and electrical properties were recovered, arising from the reduced rubber deformation and increased crystalline reorganization. The work presented here is expected to help our understanding of the dependence of electrical and mechanical properties on the microstructure of PP in-reactor alloys, providing a valuable reference for the structural design of cable insulation.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141462021","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}
The venting operation is a primary measure to mitigate overpressure in CO2 transport pipelines. It involves intense oscillations and the threat of low temperatures arising from the throttling effect. Multistage throttling structures have been proven to effectively enhance the stability of the system, and the objective of this study is to explore the impact of multistage throttling structures on the pressure and temperature within the throttling structure using a one-dimensional model. The results indicate that by appropriately setting the numbering of valves, valve openings, and diameter of throttling pipes, multistage throttling can effectively elevate the temperature of the throttling structure. However, it is noteworthy that achieving the avoidance of low-temperature phenomena comes at the expense of reducing the pressure drop rate within the main pipeline. Therefore, the practical application should consider a balanced approach to both the low temperature in the throttling structure and the overpressure in the main pipeline.
{"title":"Theoretical Study on the Influence of the Multistage Throttling Structure during the Venting Operation","authors":"Shuai Yu, Xingqing Yan, Yifan He, Jianliang Yu, Lei Chen, Shaoyun Chen","doi":"10.1021/acs.iecr.4c01216","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c01216","url":null,"abstract":"The venting operation is a primary measure to mitigate overpressure in CO<sub>2</sub> transport pipelines. It involves intense oscillations and the threat of low temperatures arising from the throttling effect. Multistage throttling structures have been proven to effectively enhance the stability of the system, and the objective of this study is to explore the impact of multistage throttling structures on the pressure and temperature within the throttling structure using a one-dimensional model. The results indicate that by appropriately setting the numbering of valves, valve openings, and diameter of throttling pipes, multistage throttling can effectively elevate the temperature of the throttling structure. However, it is noteworthy that achieving the avoidance of low-temperature phenomena comes at the expense of reducing the pressure drop rate within the main pipeline. Therefore, the practical application should consider a balanced approach to both the low temperature in the throttling structure and the overpressure in the main pipeline.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141463585","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 : 2024-06-26DOI: 10.1021/acs.iecr.3c03024
Hyeon-won Jeong, Vinh Khanh Nguyen, Shu Wang, Ricardo Gutfraind, Ruichang Xiong, Jerry Wareck, Samantha Neilsen, W. Jaewoo Shim
Hydrogen is widely produced by a steam methane reforming (SMR) process, but CO2 that is produced as a byproduct needs to be captured. For this purpose, amine absorption, one of the main carbon capture and utilization (CCU) techniques, is commonly integrated with the SMR process. A drawback of the amine absorption process is that captured CO2 is recovered in the gas phase and must be liquefied or solidified to be suitable for transportation and storage. Traditionally, the liquefaction of CO2 is achieved by a series of compression-cooling and expansions (e.g., the Linde–Hampson process), which is a costly and energy-intensive process. This study proposes using liquefied natural gas (LNG) not only as the source for hydrogen production and heat supply for the SMR reaction, but also to provide the necessary thermal energy requirement for the liquefaction of CO2 using plate-fin heat exchangers. Aspen HYSYS is used to simulate a 300 Nm3/h scale SMR process, the amine absorber, and CO2 Liquefaction processes. Energy, exergy, and cost efficiencies for a conventional Linde–Hampson process and two novel setups utilizing LNG cold energy are studied and compared. In summary, our results show the significant advantages of the proposed nonrecycling process over the conventional Linde–Hampson system. Specifically, it offers up to a 39.38% enhancement in overall exergy efficiency, achieves a net rational exergy efficiency as high as 95.72%, and reduces total capital costs by 30.83%.
{"title":"Utilization of Cold Energy of LNG for Carbon Dioxide Capture and Liquefaction in Amine-Based SMR","authors":"Hyeon-won Jeong, Vinh Khanh Nguyen, Shu Wang, Ricardo Gutfraind, Ruichang Xiong, Jerry Wareck, Samantha Neilsen, W. Jaewoo Shim","doi":"10.1021/acs.iecr.3c03024","DOIUrl":"https://doi.org/10.1021/acs.iecr.3c03024","url":null,"abstract":"Hydrogen is widely produced by a steam methane reforming (SMR) process, but CO<sub>2</sub> that is produced as a byproduct needs to be captured. For this purpose, amine absorption, one of the main carbon capture and utilization (CCU) techniques, is commonly integrated with the SMR process. A drawback of the amine absorption process is that captured CO<sub>2</sub> is recovered in the gas phase and must be liquefied or solidified to be suitable for transportation and storage. Traditionally, the liquefaction of CO<sub>2</sub> is achieved by a series of compression-cooling and expansions (e.g., the Linde–Hampson process), which is a costly and energy-intensive process. This study proposes using liquefied natural gas (LNG) not only as the source for hydrogen production and heat supply for the SMR reaction, but also to provide the necessary thermal energy requirement for the liquefaction of CO<sub>2</sub> using plate-fin heat exchangers. Aspen HYSYS is used to simulate a 300 Nm<sup>3</sup>/h scale SMR process, the amine absorber, and CO<sub>2</sub> Liquefaction processes. Energy, exergy, and cost efficiencies for a conventional Linde–Hampson process and two novel setups utilizing LNG cold energy are studied and compared. In summary, our results show the significant advantages of the proposed nonrecycling process over the conventional Linde–Hampson system. Specifically, it offers up to a 39.38% enhancement in overall exergy efficiency, achieves a net rational exergy efficiency as high as 95.72%, and reduces total capital costs by 30.83%.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141462079","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 : 2024-06-26DOI: 10.1021/acs.iecr.4c01577
Muhammad Mohsin Bashir, Sadia Perveen, Muhammad Bilal, Shamsul Qamar
This article presents the theory of dual-mode gradient elution chromatography considering simultaneous spatial and temporal changes in the column temperature and mobile phase composition. In this technique, both solvent and temperature gradients propagate independently along the axial coordinate of the chromatographic column. The mathematical model of the underlying process contains nonlinear convection-dominated partial differential equations for mass, volume fraction of the solvent, and energy, coupled with algebraic or differential equations. The linear solvent strength retention model and the modified van’t Hoff retention behavior are utilized for expressing coefficients of Henry’s, nonlinearity, axial dispersion, and heat conductivity as functions of temperature and solvent composition. An extended high-resolution semidiscrete finite volume method is utilized for the numerical approximation of model equations. Numerous case studies have been conducted to assess the column performance for a variety of operating conditions. The benefits of dual-mode gradient elution, influencing the propagation speeds of concentration profiles, are thoroughly explored compared to that of isocratic operation. The results show a significant reduction in the retention time and a better performance of the column. Outcomes of this study will be useful for optimizing the model parameters and for further improving the process performance.
{"title":"Theoretical Investigation of Dual-Mode Gradient Elution Chromatography Considering Simultaneous Variations in the Column Temperature and Solvent Composition","authors":"Muhammad Mohsin Bashir, Sadia Perveen, Muhammad Bilal, Shamsul Qamar","doi":"10.1021/acs.iecr.4c01577","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c01577","url":null,"abstract":"This article presents the theory of dual-mode gradient elution chromatography considering simultaneous spatial and temporal changes in the column temperature and mobile phase composition. In this technique, both solvent and temperature gradients propagate independently along the axial coordinate of the chromatographic column. The mathematical model of the underlying process contains nonlinear convection-dominated partial differential equations for mass, volume fraction of the solvent, and energy, coupled with algebraic or differential equations. The linear solvent strength retention model and the modified van’t Hoff retention behavior are utilized for expressing coefficients of Henry’s, nonlinearity, axial dispersion, and heat conductivity as functions of temperature and solvent composition. An extended high-resolution semidiscrete finite volume method is utilized for the numerical approximation of model equations. Numerous case studies have been conducted to assess the column performance for a variety of operating conditions. The benefits of dual-mode gradient elution, influencing the propagation speeds of concentration profiles, are thoroughly explored compared to that of isocratic operation. The results show a significant reduction in the retention time and a better performance of the column. Outcomes of this study will be useful for optimizing the model parameters and for further improving the process performance.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141462073","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}
Catalysts for the hydrogenation of adiponitrile (ADN) have been extensively studied, but achieving high selectivity of hexamethylenediamine (HMDA) in the absence of additional alkali inhibitors still poses many challenges. Herein, we fabricated nickel-based catalysts modified with Na additives for the liquid-phase hydrogenation of ADN in a fixed-bed reactor. The results showed that suitable weak acid sites are more conducive to enhancing the selectivity for HMDA, while stronger acid sites tend to promote the formation of higher amines. Moreover, the introduction of an appropriate amount of Na additive facilitates the dispersion of nickel, increasing the content of Ni0 species. Its electron-donating capacity to nickel aids in hydrogen adsorption and dissociation, thereby enhancing hydrogenation activity and favoring the selectivity for HMDA. Under optimal conditions of 120 °C and 4 MPa, improved catalytic performance with 100% ADN conversion and 82.07% HMDA selectivity were achieved over the Ni-0.15Na/Al2O3 catalyst.
用于己二腈（ADN）氢化的催化剂已经得到了广泛的研究，但要在不添加碱抑制剂的情况下实现六亚甲基二胺（HMDA）的高选择性仍面临许多挑战。在此，我们制作了用 Na 添加剂修饰的镍基催化剂，用于在固定床反应器中对 ADN 进行液相氢化。结果表明，合适的弱酸位点更有利于提高对 HMDA 的选择性，而强酸位点则倾向于促进高级胺的形成。此外，引入适量的 Na 添加剂有利于镍的分散，增加 Ni0 物种的含量。其对镍的电子供能能力有助于氢的吸附和解离，从而提高氢化活性，并有利于 HMDA 的选择性。在 120 °C 和 4 MPa 的最佳条件下，Ni-0.15Na/Al2O3 催化剂的催化性能得到改善，ADN 转化率达到 100%，HMDA 选择性达到 82.07%。
{"title":"Na-Modified Al2O3-Supported Nickel-Based Catalysts for Liquid-Phase Hydrogenation of Adiponitrile: Effect of Acidity","authors":"Lide Zhou, Cheng Xu, Xiaoping Wang, Xin Tang, Jianfei Zhang, Xianming Gao, Dongxu Hua, Xin Yao, Yaowen Liu, Dianhua Liu","doi":"10.1021/acs.iecr.4c01351","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c01351","url":null,"abstract":"Catalysts for the hydrogenation of adiponitrile (ADN) have been extensively studied, but achieving high selectivity of hexamethylenediamine (HMDA) in the absence of additional alkali inhibitors still poses many challenges. Herein, we fabricated nickel-based catalysts modified with Na additives for the liquid-phase hydrogenation of ADN in a fixed-bed reactor. The results showed that suitable weak acid sites are more conducive to enhancing the selectivity for HMDA, while stronger acid sites tend to promote the formation of higher amines. Moreover, the introduction of an appropriate amount of Na additive facilitates the dispersion of nickel, increasing the content of Ni<sup>0</sup> species. Its electron-donating capacity to nickel aids in hydrogen adsorption and dissociation, thereby enhancing hydrogenation activity and favoring the selectivity for HMDA. Under optimal conditions of 120 °C and 4 MPa, improved catalytic performance with 100% ADN conversion and 82.07% HMDA selectivity were achieved over the Ni-0.15Na/Al<sub>2</sub>O<sub>3</sub> catalyst.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141464049","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}
京公网安备 11010802042870号
京ICP备2023020795号-1
扫码关注我们
求助内容：
应助结果提醒方式：