Pub Date : 2024-11-20DOI: 10.1016/j.ces.2024.120964
Mohamed Almanzalawy, Sameh Nada, Ahmed Elwardany, Marwa Elkady
This study investigated the potential of high-alcohol fuels and ferrocene nanoparticles to enhance diesel engine performance and promote carbon nanotube (CNT) formation. Butanol, pentanol, hexanol, heptanol, and octanol were blended with a diesel/biodiesel blend (B30). Ferrocene was added as a catalyst with a concentration of 1770 ppm to optimize CNT formation. Results indicated that high-alcohol fuels, particularly those with longer carbon chains, improved engine efficiency and reduced specific fuel consumption by 10 % and 8 %, respectively. Notably, engine emissions of CO, NOx, and smoke opacity decreased by 26 %, 22 %, and 52 %, respectively, with octanol compared to B30. Furthermore, CNTs were successfully synthesized using pentanol, hexanol, and heptanol, but not butanol. A novel particulate trap was designed and fabricated for large-scale collection. The collected samples were subjected to different analyses to confirm the successful production of CNTs, especially with high alcohols, particularly octanol. This research offers insights into the synergistic effects of high-alcohol fuels and ferrocene for improved performance and CNT production.
{"title":"Enhancing diesel engine performance and carbon nanotube yield using high alcohols and ferrocene","authors":"Mohamed Almanzalawy, Sameh Nada, Ahmed Elwardany, Marwa Elkady","doi":"10.1016/j.ces.2024.120964","DOIUrl":"https://doi.org/10.1016/j.ces.2024.120964","url":null,"abstract":"This study investigated the potential of high-alcohol fuels and ferrocene nanoparticles to enhance diesel engine performance and promote carbon nanotube (CNT) formation. Butanol, pentanol, hexanol, heptanol, and octanol were blended with a diesel/biodiesel blend (B30). Ferrocene was added as a catalyst with a concentration of 1770 ppm to optimize CNT formation. Results indicated that high-alcohol fuels, particularly those with longer carbon chains, improved engine efficiency and reduced specific fuel consumption by 10 % and 8 %, respectively. Notably, engine emissions of CO, NO<sub>x</sub>, and smoke opacity decreased by 26 %, 22 %, and 52 %, respectively, with octanol compared to B30. Furthermore, CNTs were successfully synthesized using pentanol, hexanol, and heptanol, but not butanol. A novel particulate trap was designed and fabricated for large-scale collection. The collected samples were subjected to different analyses to confirm the successful production of CNTs, especially with high alcohols, particularly octanol. This research offers insights into the synergistic effects of high-alcohol fuels and ferrocene for improved performance and CNT production.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"231 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142679015","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-20DOI: 10.1016/j.ces.2024.120930
A. Tavanaei, D.R. Rieder, M.W. Baltussen, K.A. Buist, J.A.M. Kuipers
Slender trickle beds play a crucial role in various industrial processes involving gas-liquid-solid systems. Understanding the wetting characteristics is vital for optimizing their performance and efficiency. In this study, we employ a particle-resolved Computational Fluid Dynamics approach combining the Volume of Fluid (VoF) method for gas-liquid interactions and a second-order implicit Immersed Boundary Method (IBM) for fluid-solid interactions. The particle wettability is modeled by imposing a contact angle boundary condition at the gas-liquid-solid interface. The impact of the liquid flux on the wetting patterns and the rate of liquid penetration depth within the slender trickle bed is studied. The results show two main mechanisms of penetration through the bed: gravitation and inertia driven. The penetration of the liquid in the bed is driven by gravity when the liquid flux is low and the inertia is diminished in the top of the bed. This results in enhanced wetting from the onset of the penetration. If the inertia is high (high liquid flux), the initial liquid penetration is fast and spreading in the bed only occurs after full penetration of the bed.
{"title":"Effect of Liquid Flux on Wetting Behavior in Slender Trickle Bed Reactors: A Particle-Resolved Direct Numerical Simulation Study","authors":"A. Tavanaei, D.R. Rieder, M.W. Baltussen, K.A. Buist, J.A.M. Kuipers","doi":"10.1016/j.ces.2024.120930","DOIUrl":"https://doi.org/10.1016/j.ces.2024.120930","url":null,"abstract":"Slender trickle beds play a crucial role in various industrial processes involving gas-liquid-solid systems. Understanding the wetting characteristics is vital for optimizing their performance and efficiency. In this study, we employ a particle-resolved Computational Fluid Dynamics approach combining the Volume of Fluid (VoF) method for gas-liquid interactions and a second-order implicit Immersed Boundary Method (IBM) for fluid-solid interactions. The particle wettability is modeled by imposing a contact angle boundary condition at the gas-liquid-solid interface. The impact of the liquid flux on the wetting patterns and the rate of liquid penetration depth within the slender trickle bed is studied. The results show two main mechanisms of penetration through the bed: gravitation and inertia driven. The penetration of the liquid in the bed is driven by gravity when the liquid flux is low and the inertia is diminished in the top of the bed. This results in enhanced wetting from the onset of the penetration. If the inertia is high (high liquid flux), the initial liquid penetration is fast and spreading in the bed only occurs after full penetration of the bed.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"23 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142679016","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-19DOI: 10.1016/j.ces.2024.120948
Elham Khalati, Susanna Forssell, John Toivonen, Pekka Oinas
The development of pilot plants is important in establishing new technology to close the gap between lab-scale and full-scale operations by minimizing technical uncertainties. Currently, limited research is available to evaluate different aspects of pilot plants for producing lignin-based materials before commercialization. This paper focuses on designing a safe and eco-friendly pilot plant for optimizing production of dried colloidal lignin particles (CLPs). The process starts with dissolving lignin in a ternary solvent mixture, introducing it into water to generate CLPs via self-assembly, recovering the solvents, and spray-drying CLPs. Based on reported lab-scale results, a detailed study was conducted to design the pilot plant, considering the technical, safety, and environmental factors according to standards and European Union legislation. The planned daily capacity of the pilot plant was 20 kg with 2.2 M€ fixed capital costs. This process design research can be applied in similar processes that involve lignin dissolution before scale-up.
{"title":"Technical, environmental, and safety aspects in LignoSphere pilot plant design","authors":"Elham Khalati, Susanna Forssell, John Toivonen, Pekka Oinas","doi":"10.1016/j.ces.2024.120948","DOIUrl":"https://doi.org/10.1016/j.ces.2024.120948","url":null,"abstract":"The development of pilot plants is important in establishing new technology to close the gap between lab-scale and full-scale operations by minimizing technical uncertainties. Currently, limited research is available to evaluate different aspects of pilot plants for producing lignin-based materials before commercialization. This paper focuses on designing a safe and eco-friendly pilot plant for optimizing production of dried colloidal lignin particles (CLPs). The process starts with dissolving lignin in a ternary solvent mixture, introducing it into water to generate CLPs via self-assembly, recovering the solvents, and spray-drying CLPs. Based on reported lab-scale results, a detailed study was conducted to design the pilot plant, considering the technical, safety, and environmental factors according to standards and European Union legislation. The planned daily capacity of the pilot plant was 20 kg with 2.2 M€ fixed capital costs. This process design research can be applied in similar processes that involve lignin dissolution before scale-up.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"6 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142673703","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Measurements of intra-diffusion coefficients for gaseous binary mixtures","authors":"Sam Kobeissi, Nicholas N.A. Ling, Eric F. May, Michael L. Johns","doi":"10.1016/j.ces.2024.120952","DOIUrl":"https://doi.org/10.1016/j.ces.2024.120952","url":null,"abstract":"Benchtop pulsed field gradient (PFG) nuclear magnetic resonance (NMR) measurements of the intra-diffusion coefficient (<span><span style=\"\"></span><span data-mathml='<math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msubsup is=\"true\"><mi is=\"true\">D</mi><mrow is=\"true\"><mi is=\"true\">i</mi></mrow><mrow is=\"true\"><mo is=\"true\">&#x2217;</mo></mrow></msubsup></math>' role=\"presentation\" style=\"font-size: 90%; display: inline-block; position: relative;\" tabindex=\"0\"><svg aria-hidden=\"true\" focusable=\"false\" height=\"2.663ex\" role=\"img\" style=\"vertical-align: -0.928ex;\" viewbox=\"0 -747.2 1282.4 1146.6\" width=\"2.979ex\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"><g fill=\"currentColor\" stroke=\"currentColor\" stroke-width=\"0\" transform=\"matrix(1 0 0 -1 0 0)\"><g is=\"true\"><g is=\"true\"><use xlink:href=\"#MJMATHI-44\"></use></g><g is=\"true\" transform=\"translate(828,320)\"><g is=\"true\"><use transform=\"scale(0.707)\" xlink:href=\"#MJMAIN-2217\"></use></g></g><g is=\"true\" transform=\"translate(828,-304)\"><g is=\"true\"><use transform=\"scale(0.707)\" xlink:href=\"#MJMATHI-69\"></use></g></g></g></g></svg><span role=\"presentation\"><math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msubsup is=\"true\"><mi is=\"true\">D</mi><mrow is=\"true\"><mi is=\"true\">i</mi></mrow><mrow is=\"true\"><mo is=\"true\">∗</mo></mrow></msubsup></math></span></span><script type=\"math/mml\"><math><msubsup is=\"true\"><mi is=\"true\">D</mi><mrow is=\"true\"><mi is=\"true\">i</mi></mrow><mrow is=\"true\"><mo is=\"true\">∗</mo></mrow></msubsup></math></script></span>) for binary gaseous mixtures are presented as a function of composition, for temperature and pressure conditions broadly relevant to industrial and geological processes. This required the design, construction, and application of a novel NMR-compatible sapphire sample cell. Measurements were performed for methane–nitrogen, methane-helium, and methane-hydrogen mixtures, with compositions down to 0.5 mol% methane that were resolvable in a reasonable time frame. Consequently, extrapolation to infinite dilution was enabled, with the resultant values of <span><span style=\"\"></span><span data-mathml='<math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msubsup is=\"true\"><mi is=\"true\">D</mi><mrow is=\"true\"><mi is=\"true\">i</mi></mrow><mrow is=\"true\"><mo is=\"true\">&#x2217;</mo></mrow></msubsup></math>' role=\"presentation\" style=\"font-size: 90%; display: inline-block; position: relative;\" tabindex=\"0\"><svg aria-hidden=\"true\" focusable=\"false\" height=\"2.663ex\" role=\"img\" style=\"vertical-align: -0.928ex;\" viewbox=\"0 -747.2 1282.4 1146.6\" width=\"2.979ex\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"><g fill=\"currentColor\" stroke=\"currentColor\" stroke-width=\"0\" transform=\"matrix(1 0 0 -1 0 0)\"><g is=\"true\"><g is=\"true\"><use xlink:href=\"#MJMATHI-44\"></use></g><g is=\"true\" transform=\"translate(828,320)\"><g is=\"true","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"18 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142670931","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-19DOI: 10.1016/j.ces.2024.120953
Lianke Zhang, Lei Zhang, Dandan Li, Haiying Qin, Hualiang Ni, Hongzhong Chi, Junjing He, Yan He
Developing efficient and durable non-precious metals catalysts is crucial for fuel cells. Herein, we synthesize nitrogen-doped carbon-encapsulated metal cobalt nanoparticles with core–shell structure (Co@N/C-Joule) catalyst by carbothermal shock (CTS) pyrolysis of ZIF-67 under argon atmosphere. The Co@N/C-Joule exhibits superior catalytic activity and stability for the oxygen reduction reaction (ORR) in alkaline electrolyte. Co@N/C-Joule demonstrates a half-wave potential of 0.84 V (vs. the reversible hydrogen electrode, RHE). The Co@N/C-Joule also exhibits superior stability, with only a 4 mV negative shift after 30,000 cyclic voltammetry cycles. The direct borohydride fuel cells using the Co@N/C-Joule cathode achieves a maximum power density of 389 mW cm−2 at 60°C. The rapid heating and cooling rate of CTS enables the production of small-sized Co@N/C nanocatalysts with ultra-thin nitrogen-doped graphite layer coating on Co particles, thereby increasing the surface density of active sites on Co nanoparticles and Co-N sites, which leads to improved ORR performance.
{"title":"Metal-organic framework derived Co@N/C with enhanced oxygen reduction reaction in direct borohydride fuel cells","authors":"Lianke Zhang, Lei Zhang, Dandan Li, Haiying Qin, Hualiang Ni, Hongzhong Chi, Junjing He, Yan He","doi":"10.1016/j.ces.2024.120953","DOIUrl":"https://doi.org/10.1016/j.ces.2024.120953","url":null,"abstract":"Developing efficient and durable non-precious metals catalysts is crucial for fuel cells. Herein, we synthesize nitrogen-doped carbon-encapsulated metal cobalt nanoparticles with core–shell structure (Co@N/C-Joule) catalyst by carbothermal shock (CTS) pyrolysis of ZIF-67 under argon atmosphere. The Co@N/C-Joule exhibits superior catalytic activity and stability for the oxygen reduction reaction (ORR) in alkaline electrolyte. Co@N/C-Joule demonstrates a half-wave potential of 0.84 V (<em>vs.</em> the reversible hydrogen electrode, RHE). The Co@N/C-Joule also exhibits superior stability, with only a 4 mV negative shift after 30,000 cyclic voltammetry cycles. The direct borohydride fuel cells using the Co@N/C-Joule cathode achieves a maximum power density of 389 mW cm<sup>−2</sup> at 60°C. The rapid heating and cooling rate of CTS enables the production of small-sized Co@N/C nanocatalysts with ultra-thin nitrogen-doped graphite layer coating on Co particles, thereby increasing the surface density of active sites on Co nanoparticles and Co-N sites, which leads to improved ORR performance.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"6 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142670929","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Aqueous zinc-tellurium (Zn-Te) batteries based on conversion reactions between Zn and Te have sparked significant interest due to their cost-effectiveness, high theoretical specific capacity and outstanding safety features. Nevertheless, the sluggish kinetics pose a barrier to the advancement of aqueous Zn-Te batteries. In this study, zero-dimension (0D) nanodots and three-dimensional (3D) nanoflowers molybdenum diselenide (MoSe2) are in situ grown on the holey reduced graphene oxide (HrGO) by a confinement synthesis strategy. Benefiting from the simultaneous presence of (0D/3D)MoSe2, excellent conductivity of holey reduced graphene oxide and unique hierarchical structure, the (0D/3D)MoSe2@HrGO hybrid greatly promotes the redox kinetics between Zn and Te conversion. Consequently, the constructed aqueous Zn-Te batteries equipped with a Te@(0D/3D)MoSe2@HrGO cathode demonstrate remarkable specific capacity (reaching 505 mAh/g at a current density of 0.15 A/g) along with outstanding long-term cycling stability. Additionally, the underlying conversion mechanism has been meticulously explored through extensive analytical techniques. This research introduces an innovative approach to boost the electrochemical performance of aqueous zinc-tellurium batteries.
{"title":"Confinement strategy construction (0D/3D)MoSe2@HrGO hybrid for enhancing reaction kinetics in aqueous zinc-tellurium batteries","authors":"Zhaohua Jiang, Jinjin Wen, Huiting Xu, Yufen Zhang, Haonan Zhai, Zhijie Cui, Honghai Wang, Junjie Qi, Wen Liu, Jiapeng Liu","doi":"10.1016/j.ces.2024.120961","DOIUrl":"https://doi.org/10.1016/j.ces.2024.120961","url":null,"abstract":"Aqueous zinc-tellurium (Zn-Te) batteries based on conversion reactions between Zn and Te have sparked significant interest due to their cost-effectiveness, high theoretical specific capacity and outstanding safety features. Nevertheless, the sluggish kinetics pose a barrier to the advancement of aqueous Zn-Te batteries. In this study, zero-dimension (0D) nanodots and three-dimensional (3D) nanoflowers molybdenum diselenide (MoSe<sub>2</sub>) are in situ grown on the holey reduced graphene oxide (HrGO) by a confinement synthesis strategy. Benefiting from the simultaneous presence of (0D/3D)MoSe<sub>2</sub>, excellent conductivity of holey reduced graphene oxide and unique hierarchical structure, the (0D/3D)MoSe<sub>2</sub>@HrGO hybrid greatly promotes the redox kinetics between Zn and Te conversion. Consequently, the constructed aqueous Zn-Te batteries equipped with a Te@(0D/3D)MoSe<sub>2</sub>@HrGO cathode demonstrate remarkable specific capacity (reaching 505 mAh/g at a current density of 0.15 A/g) along with outstanding long-term cycling stability. Additionally, the underlying conversion mechanism has been meticulously explored through extensive analytical techniques. This research introduces an innovative approach to boost the electrochemical performance of aqueous zinc-tellurium batteries.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"177 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142673698","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-19DOI: 10.1016/j.ces.2024.120962
Jiquan Lu, Quanbing Liu, Yuying Zheng, Kaixiang Shi, Dai Dang
The composite solid electrolyte (CSE) is an ideal material for high-energy density solid-state lithium metal batteries. However, incompatibility between interfaces, and the free movement of anions in the polymer matrix result in severe concentration polarization, resulting in slow interfacial transport of Li+. Herein, a composite solid electrolyte (PEO/LiTFSI/Al2O3@PDA) was prepared by coating PDA on Al2O3 surface as a functional filler. Li+ travel the elaborately built polymer matrix, of which PDA as transport channel pulls Li+ migration, Al2O3 as ferry position regulate the Li+ flow. At the same time, PDA bifunctional surface coating can anchor anions, promote the decomposition of lithium salts, form more free lithium ions, weaken the complexation of PEO and Li+, and improve the transmission of Li+ at the ceramic/polymer interface. This work provides a reasonable design strategy for breaking through the limitations of composite solid-state electrolytes, which are also applicable to other composite solid-state electrolyte systems.
{"title":"Chain-segment ferry engineering from anchoring anion of the composite solid electrolyte enables fast lithium ion transport","authors":"Jiquan Lu, Quanbing Liu, Yuying Zheng, Kaixiang Shi, Dai Dang","doi":"10.1016/j.ces.2024.120962","DOIUrl":"https://doi.org/10.1016/j.ces.2024.120962","url":null,"abstract":"The composite solid electrolyte (CSE) is an ideal material for high-energy density solid-state lithium metal batteries. However, incompatibility between interfaces, and the free movement of anions in the polymer matrix result in severe concentration polarization, resulting in slow interfacial transport of Li<sup>+</sup>. Herein, a composite solid electrolyte (PEO/LiTFSI/Al<sub>2</sub>O<sub>3</sub>@PDA) was prepared by coating PDA on Al<sub>2</sub>O<sub>3</sub> surface as a functional filler. Li<sup>+</sup> travel the elaborately built polymer matrix, of which PDA as transport channel pulls Li<sup>+</sup> migration, Al<sub>2</sub>O<sub>3</sub> as ferry position regulate the Li<sup>+</sup> flow. At the same time, PDA bifunctional surface coating can anchor anions, promote the decomposition of lithium salts, form more free lithium ions, weaken the complexation of PEO and Li<sup>+</sup>, and improve the transmission of Li<sup>+</sup> at the ceramic/polymer interface. This work provides a reasonable design strategy for breaking through the limitations of composite solid-state electrolytes, which are also applicable to other composite solid-state electrolyte systems.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"27 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142673699","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Emission control of gaseous elemental iodine discharged from nuclear industries is of extreme importance for ecological environment and human health. An obvious barrier hindering the extensive application of activated carbon-based sorbents primarily derives from the absence of active ligands with satisfactory binding towards iodine. To effectively face this challenge, copper sulfide (CuS) with high binding affinity for iodine was introduced and to graft on activated carbon matrix through a simple room-temperature precipitation method under mild conditions. The as-prepared CuS/AC sorbent exhibits favorable textual properties (large specific surface area and developed pore channel) and was enriched with abundance active sites including CuS components and hydroxy functional groups (–OH). Those excellent characteristics contributed to that the iodine uptake capacity of CuS/AC reached to 486 mg g−1. CuS with rich abundance and high accessibility was found to be main ligands accounting for the conversion and immobilization of gaseous iodine. The elemental iodine was reduced into iodine ions and reacted with CuS to form the ultimate adsorbate CuI, effectively avoid the secondary emission of vapor-phase iodine. The whole iodine adsorption process was synergetic controlled by physisorption and chemisorption. The goal of this work not only extends the performance enhancement of the carbon-based sorbents for iodine removal but also inspires further exploitation for the cost-effective and high-performance sorbents for iodine abatement from nuclear industries.
{"title":"Metal sulfide functionalized activated carbon for efficient capture of gaseous iodine","authors":"Wei Zheng, Jianwei Huang, Zhiqi Tian, Zequn Yang, Lijian Leng, Weizhen He, Jiefeng Chen, Xian Zeng, Wangliang Yang, Wenqi Qu, Hailong Li","doi":"10.1016/j.ces.2024.120955","DOIUrl":"https://doi.org/10.1016/j.ces.2024.120955","url":null,"abstract":"Emission control of gaseous elemental iodine discharged from nuclear industries is of extreme importance for ecological environment and human health. An obvious barrier hindering the extensive application of activated carbon-based sorbents primarily derives from the absence of active ligands with satisfactory binding towards iodine. To effectively face this challenge, copper sulfide (CuS) with high binding affinity for iodine was introduced and to graft on activated carbon matrix through a simple room-temperature precipitation method under mild conditions. The as-prepared CuS/AC sorbent exhibits favorable textual properties (large specific surface area and developed pore channel) and was enriched with abundance active sites including CuS components and hydroxy functional groups (–OH). Those excellent characteristics contributed to that the iodine uptake capacity of CuS/AC reached to 486 mg g<sup>−1</sup>. CuS with rich abundance and high accessibility was found to be main ligands accounting for the conversion and immobilization of gaseous iodine. The elemental iodine was reduced into iodine ions and reacted with CuS to form the ultimate adsorbate CuI, effectively avoid the secondary emission of vapor-phase iodine. The whole iodine adsorption process was synergetic controlled by physisorption and chemisorption. The goal of this work not only extends the performance enhancement of the carbon-based sorbents for iodine removal but also inspires further exploitation for the cost-effective and high-performance sorbents for iodine abatement from nuclear industries.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"99 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142673702","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-17DOI: 10.1016/j.ces.2024.120935
Liwen Zhao, Guilian Liu
Catalyst deactivation affects chemical system performance and reactor operation. A systematic method is proposed for targeting the optimal reactor, operating parameters, system performance, and catalyst service life, considering the catalyst deactivation. Relations between reactor performance, operating parameters, and running time are clarified based on the coupling analysis of the reactions, catalyst deactivation kinetics, and mass/energy balance. The influence of reactor fluctuation on energy cost and product output is explored by topological analysis, pinch analysis, and algebraic reasoning. A reactor-separator-heat exchanger network coupling frame is established to predict system performance and guide the reactor selection, catalyst regeneration, and system adjustments. The proposed method is intuitive and efficient and can be applied in the preparatory/operation stage. For the studied benzene hydrogenation process, the Plug Flow Reactor is suitable; the catalyst’s optimal service life is 2.08y, achieving 4.4 % and 4.8 % decreases in annual cost and energy demand/carbon emission by real-time adjustments.
{"title":"Novel methodology for targeting the optimal reactor and operating parameters based on the chemical system’s overall performance within catalyst lifecycle","authors":"Liwen Zhao, Guilian Liu","doi":"10.1016/j.ces.2024.120935","DOIUrl":"https://doi.org/10.1016/j.ces.2024.120935","url":null,"abstract":"Catalyst deactivation affects chemical system performance and reactor operation. A systematic method is proposed for targeting the optimal reactor, operating parameters, system performance, and catalyst service life, considering the catalyst deactivation. Relations between reactor performance, operating parameters, and running time are clarified based on the coupling analysis of the reactions, catalyst deactivation kinetics, and mass/energy balance. The influence of reactor fluctuation on energy cost and product output is explored by topological analysis, pinch analysis, and algebraic reasoning. A reactor-separator-heat exchanger network coupling frame is established to predict system performance and guide the reactor selection, catalyst regeneration, and system adjustments. The proposed method is intuitive and efficient and can be applied in the preparatory/operation stage. For the studied benzene hydrogenation process, the Plug Flow Reactor is suitable; the catalyst’s optimal service life is 2.08y, achieving 4.4 % and 4.8 % decreases in annual cost and energy demand/carbon emission by real-time adjustments.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"169 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142665476","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Two alternative coal-to-aromatics processes, the methane steam reforming-assisted process (NG-CTA-S) and methane dry/steam reforming-integrated process (NG-CTA-DS), are proposed to mitigate carbon dioxide (CO2) emissions associated with conventional coal-to-aromatics (CTA) processes. This study conducted a detailed process simulation and optimization of key parameters to determine the aromatic production route with the lowest carbon emission. A comprehensive technical and economic analysis, along with an environmental assessment, was carried out to compare the proposed processes with existing ones. The results indicate that the NG-CTA-DS process has demonstrated superior techno-economic performance and environmental evaluation. It achieved an elemental carbon utilization of 85.95 %, an energy efficiency of 78.80 %, a reduced CO2 emission of 3.65 kg/kg-aromatics, and a production cost of only 1018.87 M$. Therefore, it is evident that the proposed NG-CTA-DS process holds significant potential to enhance the technical, economic, and environmental performance compared to the conventional process, making it a promising candidate for industrialization.
{"title":"Coal-to-aromatics process integrated with dry/steam-mixed reforming: Techno-economic analysis and environmental evaluation","authors":"Junqiang Zhang, Peng Dong, Haifeng Lei, Ruonan Liu, Junwen Wang, Zhitong Zhao, Wei Zhang","doi":"10.1016/j.ces.2024.120934","DOIUrl":"https://doi.org/10.1016/j.ces.2024.120934","url":null,"abstract":"Two alternative coal-to-aromatics processes, the methane steam reforming-assisted process (NG-CTA-S) and methane dry/steam reforming-integrated process (NG-CTA-DS), are proposed to mitigate carbon dioxide (CO<sub>2</sub>) emissions associated with conventional coal-to-aromatics (CTA) processes. This study conducted a detailed process simulation and optimization of key parameters to determine the aromatic production route with the lowest carbon emission. A comprehensive technical and economic analysis, along with an environmental assessment, was carried out to compare the proposed processes with existing ones. The results indicate that the NG-CTA-DS process has demonstrated superior techno-economic performance and environmental evaluation. It achieved an elemental carbon utilization of 85.95 %, an energy efficiency of 78.80 %, a reduced CO<sub>2</sub> emission of 3.65 kg/kg-aromatics, and a production cost of only 1018.87 M$. Therefore, it is evident that the proposed NG-CTA-DS process holds significant potential to enhance the technical, economic, and environmental performance compared to the conventional process, making it a promising candidate for industrialization.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"99 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142665478","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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