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Investigation on catalytic distillation dehydrogenation of perhydro-benzyltoluene: Reaction kinetics, modeling and process analysis SCIE
期刊论文 | 2024 , 482 | CHEMICAL ENGINEERING JOURNAL
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Abstract :

Catalytic distillation is an effective and important technology for low-temperature dehydrogenation of perhydrobenzyltoluene (H12-BT). However, current researches have unfortunately failed to comprehensively understand the reaction and separation processes, hindering the broader application of catalytic distillation dehydrogenation technology. Therefore, in the study, a comprehensive dehydrogenation reaction kinetic model that accounts for the influence of the intermediate H6-BT was established firstly. Subsequently, the vapor-liquid equilibrium data for the binary systems H12-BT + H6-BT and H6-BT + H0-BT was estimated by utilizing the UNIFAC model, so as to obtain the azeotropes. By developing a modified catalytic distillation model, the catalytic distillation dehydrogenation process was examined. Our exploration revealed the existence of an optimal degree of dehydrogenation value, namely 0.8, within the catalytic distillation dehydrogenation process, yielding an approximate 23.8 % reduction in unit H2 production cost in comparison to the fully dehydrogenation case. Our findings contribute valuable insights that have the potential to promote the overall development of the hydrogen energy economy.

Keyword :

Catalytic distillation Catalytic distillation Degree of dehydrogenation Degree of dehydrogenation Dehydrogenation process Dehydrogenation process Perhydro-benzyltoluene Perhydro-benzyltoluene Reaction kinetic Reaction kinetic

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GB/T 7714 Wang, Qinglian , Le, Keyu , Lin, Yi et al. Investigation on catalytic distillation dehydrogenation of perhydro-benzyltoluene: Reaction kinetics, modeling and process analysis [J]. | CHEMICAL ENGINEERING JOURNAL , 2024 , 482 .
MLA Wang, Qinglian et al. "Investigation on catalytic distillation dehydrogenation of perhydro-benzyltoluene: Reaction kinetics, modeling and process analysis" . | CHEMICAL ENGINEERING JOURNAL 482 (2024) .
APA Wang, Qinglian , Le, Keyu , Lin, Yi , Yin, Wang , Lin, Yixiong , Alekseeva, Maria, V et al. Investigation on catalytic distillation dehydrogenation of perhydro-benzyltoluene: Reaction kinetics, modeling and process analysis . | CHEMICAL ENGINEERING JOURNAL , 2024 , 482 .
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Catalytic hydrotreatment of fast pyrolysis liquids from Pine wood using Ru-based catalysts supported on nitrogen-doped carbon materials SCIE
期刊论文 | 2024 , 368 | FUEL
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Catalytic hydrotreatment is one of the promising routes for upgrading pyrolysis liquids (PLs) to intermediates that can be co-fed with vacuum gas oil for FCC refinery. Among all the factors, catalysts are always crucial in catalytic hydrotreatment of PLs as hydrogenation and repolymerization reactions occur in parallel. Therefore, catalysts with sufficient hydrogenation activity are generally required to enhance the hydrogenation reaction and to inhibit the repolymerization reaction of the thermally liable compounds in PLs. Among all noble metal catalysts tested, Ru/C catalysts showed a better performance than other catalysts in terms of the oil yield and deoxygenation level. However, a clear repolymerization was observed during catalytic hydrotreatment of PLs using Ru/C catalysts, especially during mild hydrotreatment, thus there is still ample room for their activity improvement. Here, a series of Ru-based catalysts supported on nitrogen-doped carbon materials (NC) and activated carbon (AC) were prepared. The catalytic performance was evaluated for hydrotreatment of PLs in a batch autoclave (250 degrees C, 8 MPa H2, 4 h for mild hydrotreatment; 340 degrees C, 6 MPa H2, 4 h for deep hydrotreatment). The Ru catalyst supported on nitrogen-doped carbon materials, obtained by the polyol reduction method with polyvinylpyrrolidone (PVP) as the protective agent (Ru/NC (PVP)), showed a better performance (in terms of product oil properties) than the other catalysts investigated in this work, due to a good distribution of the ruthenium nanoparticles. For mild hydrotreatment the H/C ratio, O/C ratio and MCRT value were 1.42, 0.37 and 9.9 wt%, respectively. For deep hydrotreatment the H/C ratio, O/C ratio and MCRT value were 1.26, 0.16 and 4.6 wt%. The comparison with results published earlier for other hydrotreatment catalysts is satisfactory but also shows room for further improvement. GC-MS and 1H NMR results showed that the contents of thermal liable components like aldehydes (16.7 %), ketones (24.3 %) and sugars (4.0 %) in PLs were quantitatively converted under mild hydrotreatment, while phenols and alkanes significantly increased from 35.9 %, 0 % to 49.1 %, 35.3 %, respectively, especially for deep hydrotreatment compared with PLs feed. The catalyst characterization revealed that Ru/NC (PVP) with the most uniform dispersion and the smallest average particle size (1.5 nm), rendered the best performance. These findings indicate that Ru/NC (PVP) catalyst is a promising candidate for the catalytic hydrotreatment of PLs.

Keyword :

Biomass Biomass Catalytic hydrotreatment Catalytic hydrotreatment Fast pyrolysis Fast pyrolysis Pyrolysis liquids Pyrolysis liquids rials rials Ru supported on nitrogen -doped carbon mate Ru supported on nitrogen -doped carbon mate

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GB/T 7714 Xia, Yunhui , Xi, Nan , Yu, Xinyang et al. Catalytic hydrotreatment of fast pyrolysis liquids from Pine wood using Ru-based catalysts supported on nitrogen-doped carbon materials [J]. | FUEL , 2024 , 368 .
MLA Xia, Yunhui et al. "Catalytic hydrotreatment of fast pyrolysis liquids from Pine wood using Ru-based catalysts supported on nitrogen-doped carbon materials" . | FUEL 368 (2024) .
APA Xia, Yunhui , Xi, Nan , Yu, Xinyang , Luo, Maohua , Chen, Shi , Wang, Qinglian et al. Catalytic hydrotreatment of fast pyrolysis liquids from Pine wood using Ru-based catalysts supported on nitrogen-doped carbon materials . | FUEL , 2024 , 368 .
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Water management and performance enhancement in proton exchange membrane fuel cell through metal foam flow field with hierarchical pore structure EI
期刊论文 | 2024 , 494 | Chemical Engineering Journal
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Compressing metal foam flow field usually causes a higher pressure drop and uncontrollable pore structure while enhancing the water discharge capability of proton exchange membrane fuel cell (PEMFC). To further enhance the water discharge capability of metal foam flow field at a low cost of pressure drop, a novel metal foam flow field exhibiting hierarchical pore structure(dcoarse/dfine=2; Vcoarse/Vfine=1; dfine=0.5 mm) is first introduced. This work numerically investigates water management characteristics and output performance of novel metal foam flow field. Subsequently, 3D printing technology is employed to precisely manufacture metal foam flow fields, which are compared with several flow fields in the cathode side experimentally. Experimental results demonstrate that at 1.5 A/cm2 during 3 h, the amount of water discharge in metal foam flow field with hierarchical pore structure is close to parallel flow field, which is 1.12 times and 1.30 times that in metal foam flow field with uniform coarse pore and uniform fine pore, respectively. Moreover, compared with the previous optimized strategy, namely metal foam flow field with 75 PPI and a compression rate of 0.75, metal foam flow field with hierarchical pore structure can not only improve the maximum net power density by 9.5 % and water discharge amount by 14.1 %, but also decrease two-thirds of the pressure drop in the cathode side. This research lays the theoretical groundwork and offers technical insight for the implementation of metal foam flow fields in PEMFCs. © 2024 Elsevier B.V.

Keyword :

3D printing 3D printing Cathodes Cathodes Drops Drops Flow fields Flow fields Metal foams Metal foams Parallel flow Parallel flow Pore structure Pore structure Pressure drop Pressure drop Proton exchange membrane fuel cells (PEMFC) Proton exchange membrane fuel cells (PEMFC) Water management Water management

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GB/T 7714 Sun, Yun , Lin, Yixiong , Wan, Zhongmin et al. Water management and performance enhancement in proton exchange membrane fuel cell through metal foam flow field with hierarchical pore structure [J]. | Chemical Engineering Journal , 2024 , 494 .
MLA Sun, Yun et al. "Water management and performance enhancement in proton exchange membrane fuel cell through metal foam flow field with hierarchical pore structure" . | Chemical Engineering Journal 494 (2024) .
APA Sun, Yun , Lin, Yixiong , Wan, Zhongmin , Wang, Qinglian , Yang, Chen , Yin, Wang et al. Water management and performance enhancement in proton exchange membrane fuel cell through metal foam flow field with hierarchical pore structure . | Chemical Engineering Journal , 2024 , 494 .
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Layered carbon encapsulated CuOx nanopaticles for selective hydrogenation of furfural to furfuryl alcohol EI
期刊论文 | 2024 , 565 | Molecular Catalysis
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Furfuryl alcohol (FOL) is commercially available by selective hydrogenation of furfural (FAL). A variety of catalysts have been developed for such purpose, among which Cu-based catalysts show superior catalytic performance. However, copper nanoparticles with complex valence states are easy to agglomerate during hydrogenation reaction, which might have a negative influence on the catalytic performance. The carbon coating is an efficient strategy to prevent the sintering of Cu-based catalysts. Herein, a strategy based on the thermal decomposition of Cu-EDTA complex was designed to prepare carbon encapsulated Cu-based catalysts. The prepared catalysts were applied in the selective hydrogenation of FAL to FOL in the batch reactor. The results showed that a nearly quantitative conversion of FAL with a selectivity of 98.7 % towards FOL was achieved using CuOx@NC-150 (molar ratio of Cu: Na4EDTA·4H2O=2:1; obtained by oxidative activation at 150 °C) under 140 °C, 3 MPa in 4 h. The performance was comparable to that of the commercial CuCr2O4 catalyst under the identical conditions. In addition, the developed carbon encapsulated Cu-based catalysts exhibited a slightly better stability than CuCr2O4 catalyst in terms of FOL yield in five consecutive cycles. XPS and XAES characterizations implied that the presence of a suitable surface ratio of Cu+/(Cu++Cu0) of the prepared catalyst may contribute to the selective hydrogenation of FAL to FOL. © 2024 Elsevier B.V.

Keyword :

Aldehydes Aldehydes Batch reactors Batch reactors Carbon Carbon Catalyst selectivity Catalyst selectivity Chromium compounds Chromium compounds Coatings Coatings Copper compounds Copper compounds Decomposition Decomposition Furfural Furfural Hydrogenation Hydrogenation Molar ratio Molar ratio Sintering Sintering

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GB/T 7714 Xi, Nan , Chen, Shiting , Bao, Ruixi et al. Layered carbon encapsulated CuOx nanopaticles for selective hydrogenation of furfural to furfuryl alcohol [J]. | Molecular Catalysis , 2024 , 565 .
MLA Xi, Nan et al. "Layered carbon encapsulated CuOx nanopaticles for selective hydrogenation of furfural to furfuryl alcohol" . | Molecular Catalysis 565 (2024) .
APA Xi, Nan , Chen, Shiting , Bao, Ruixi , Wang, Qinglian , Lin, Yixiong , Yue, Jun et al. Layered carbon encapsulated CuOx nanopaticles for selective hydrogenation of furfural to furfuryl alcohol . | Molecular Catalysis , 2024 , 565 .
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Design and optimization of bilayer structure in metal foam flow field for proton exchange membrane fuel cell Scopus
期刊论文 | 2024 , 257 | Applied Thermal Engineering
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The balance between water discharge and mass transfer within metal foam flow field is vital for elevating the performance of proton exchange membrane fuel cell (PEMFC). To obtain an improved balance, this work designs a novel bilayer structure with two types of PPI (pore per inch) for metal foam flow field. Experimental and numerical results confirmed that arranging a metal foam featuring a smaller PPI in the layer 1 near the membrane electrode assembly (MEA) and a larger PPI in the layer 2 away from the MEA is beneficial to enhance the output performance. The excellent PPI combination for balancing mass transfer and water discharge involves utilizing a 50 PPI metal foam for the layer 1 and 110 PPI metal foam for the layer 2. Compared to conventional metal foam with 50 PPI, metal foam flow field with excellent PPI combination showcases a 11.2 % increase in water discharge and a 13.2 % boost in mass transfer, leading to a notable 23.5 % performance enhancement. Similarly, compared to conventional metal foam with 110 PPI, there is a 7.3 % decrease in mass transfer but a significant 29.5 % increases in water discharge, leading to a 15.2 % performance improvement. © 2024 Elsevier Ltd

Keyword :

Bilayer structure Bilayer structure Mass transfer Mass transfer Metal foam flow field Metal foam flow field PEMFC PEMFC Water discharge Water discharge

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GB/T 7714 Sun, Y. , Lin, Y. , Wang, Q. et al. Design and optimization of bilayer structure in metal foam flow field for proton exchange membrane fuel cell [J]. | Applied Thermal Engineering , 2024 , 257 .
MLA Sun, Y. et al. "Design and optimization of bilayer structure in metal foam flow field for proton exchange membrane fuel cell" . | Applied Thermal Engineering 257 (2024) .
APA Sun, Y. , Lin, Y. , Wang, Q. , Yin, W. , Liu, B. , Yang, C. et al. Design and optimization of bilayer structure in metal foam flow field for proton exchange membrane fuel cell . | Applied Thermal Engineering , 2024 , 257 .
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Insights into structure-performance relationship in radial flow fixed bed reactor for CO2 methanation SCIE
期刊论文 | 2023 , 48 (64) , 24594-24606 | INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
WoS CC Cited Count: 4
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Abstract :

The extraction of petroleum and natural gas is often accompanied by a large number of associated gases, especially the high CO2 content reservoirs facing the emission of a large amount of CO2. CO2 methanation is recognized as one of the suitable candidates for CO2 utilization to reduce the emission of CO2. Because of the highly exothermic nature of the reaction, however, it is very important to enhance the heat transfer process inside the reactor and inhibit the formation of hot spots. In the fixed bed reactor, the heat transfer in the radial direction is greatly limited compared with that in the axial direction. Thus, this work adopted the radial flow reactor to evaluate the CO2 methanation process by the means of a numerical model based on OpenFOAM. Four types of radial flow reactor con-figurations, namely centrifugal Z-type, centrifugal P-type, centripetal Z-type, and cen-tripetal P-type, were compared. The fluid flow, heat transfer, and reaction performances for these reactors were discussed under consistent operating conditions. Results show that the centrifugal P-type structure has the most uniform flow field. In terms of heat transfer and reaction performance, the centripetal Z-type structure is the best among the four radial flow reactor configurations. These findings provide a theoretical basis and technical guidance for designing and developing radial flow reactors.& COPY; 2023 Published by Elsevier Ltd on behalf of Hydrogen Energy Publications LLC.

Keyword :

CO 2 methanation CO 2 methanation CO 2 utilization CO 2 utilization Highly exothermic reaction Highly exothermic reaction OpenFOAM OpenFOAM Radial flow reactor Radial flow reactor

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GB/T 7714 Zhang, Wei , Lin, Yixiong , Norinaga, Koyo . Insights into structure-performance relationship in radial flow fixed bed reactor for CO2 methanation [J]. | INTERNATIONAL JOURNAL OF HYDROGEN ENERGY , 2023 , 48 (64) : 24594-24606 .
MLA Zhang, Wei et al. "Insights into structure-performance relationship in radial flow fixed bed reactor for CO2 methanation" . | INTERNATIONAL JOURNAL OF HYDROGEN ENERGY 48 . 64 (2023) : 24594-24606 .
APA Zhang, Wei , Lin, Yixiong , Norinaga, Koyo . Insights into structure-performance relationship in radial flow fixed bed reactor for CO2 methanation . | INTERNATIONAL JOURNAL OF HYDROGEN ENERGY , 2023 , 48 (64) , 24594-24606 .
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Liquid water discharge capability enhancement of hierarchical pore structure in metal foam flow field of proton exchange membrane fuel cell SCIE
期刊论文 | 2023 , 70 (1) | AICHE JOURNAL
WoS CC Cited Count: 2
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Abstract :

Metal foam flow field shows great potential for next-generation proton exchange membrane (PEM) fuel cell of high power density due to its well-connected pore structure, high thermal and electrical conductivity. However, the complicated pore structure makes it a challenge for water management. To tackle this issue, a novel design of metal foam flow field with hierarchical pore structure was proposed. Based on lattice Boltzmann method (LBM), the structure-performance relationship between hierarchical pore structure and water discharge capability of flow field was explored by using breakthrough time. Furthermore, an optimal hierarchical pore structure for metal foam flow field that shows superior water discharge capability was obtained. Compared with metal foam with uniform coarse pore structure, breakthrough time can be reduced roughly by 17.6% in the one with optimal hierarchical pore structures. This finding provides a theoretical foundation and technical guidance for developing metal foam flow field.

Keyword :

hierarchical pore structure hierarchical pore structure lattice Boltzmann method (LBM) lattice Boltzmann method (LBM) metal foam flow field metal foam flow field proton exchange membrane (PEM) fuel cell proton exchange membrane (PEM) fuel cell water discharge capability water discharge capability

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GB/T 7714 Lin, Yixiong , Sun, Yun , Yang, Chen et al. Liquid water discharge capability enhancement of hierarchical pore structure in metal foam flow field of proton exchange membrane fuel cell [J]. | AICHE JOURNAL , 2023 , 70 (1) .
MLA Lin, Yixiong et al. "Liquid water discharge capability enhancement of hierarchical pore structure in metal foam flow field of proton exchange membrane fuel cell" . | AICHE JOURNAL 70 . 1 (2023) .
APA Lin, Yixiong , Sun, Yun , Yang, Chen , Zhang, Wei , Wang, Qinglian , Wan, Zhongmin et al. Liquid water discharge capability enhancement of hierarchical pore structure in metal foam flow field of proton exchange membrane fuel cell . | AICHE JOURNAL , 2023 , 70 (1) .
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Novel design and numerical investigation of a windward bend flow field for proton exchange membrane fuel cell SCIE
期刊论文 | 2023 , 290 | ENERGY
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3D flow field design usually improves the performance of proton exchange membrane fuel cell (PEMFC) with the penalty of a dramatically increasing pressure drop. To surmount this issue, a novel windward bend flow field that exhibits superior mass transfer performance under a constant pumping power is proposed in this study. The performance of PEMFC with windward bend flow field is numerically compared with two canonical 3D flow fields, namely 3D wave flow field and cutting cylindrical baffles flow field. Results demonstrated that compared with two canonical 3D flow fields, windward bend flow field gets a better water management capability. The optimal distance, tilt angle and direction for the windward bend structure embedded in channel are 2.0 mm, 15 degrees (at the direction of the front section of the windward bend structure tilts towards membrane electrode assembly). Furthermore, the average enhancement rate of the maximum power density of PEMFC with optimal windward bend flow field is 7.6 % and 12.4 % compared with cutting cylindrical baffles flow field and 3D wave flow field owing to the larger Sherwood number of optimal windward bend flow field under the specified pumping power range.

Keyword :

PEMFC PEMFC Pumping power Pumping power Structure optimization Structure optimization Water management Water management Windward bend structure Windward bend structure

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GB/T 7714 Sun, Yun , Lin, Yixiong , Wang, Qinglian et al. Novel design and numerical investigation of a windward bend flow field for proton exchange membrane fuel cell [J]. | ENERGY , 2023 , 290 .
MLA Sun, Yun et al. "Novel design and numerical investigation of a windward bend flow field for proton exchange membrane fuel cell" . | ENERGY 290 (2023) .
APA Sun, Yun , Lin, Yixiong , Wang, Qinglian , Yang, Chen , Yin, Wang , Wan, Zhongmin et al. Novel design and numerical investigation of a windward bend flow field for proton exchange membrane fuel cell . | ENERGY , 2023 , 290 .
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Regulation of temperature distribution in fixed bed reactor for CO2 methanation through "CHESS" monolith structure catalyst SCIE
期刊论文 | 2023 , 236 | APPLIED THERMAL ENGINEERING
WoS CC Cited Count: 3
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CO2 methanation suffers from the problem of temperature runaway phenomenon due to its exothermic nature. To mitigate this issue, optimizing catalyst structure becomes crucial. This work established numerical models to investigate the CO2 methanation reaction and heat/mass transfer process in the reactor with porous pellet and monolithic catalysts. Results show that the reactor with porous pellets has the lowest carbon conversion per unit pressure drop due to its large total pressure drop. In contrast, the reactor with monolith exhibits a much larger carbon conversion per unit pressure drop but a smaller absolute carbon conversion. Based on this, an improved "CHESS" monolith structure was proposed and improved, which not only maintains a high absolute carbon conversion (62.6 %) but also enhances the heat transfer process in CO2 methanation. Moreover, compared with the reactor with porous pellets, the maximum temperature in the improved "CHESS" monolith was decreased by around 11.09 %.

Keyword :

"CHESS" monolith "CHESS" monolith Heat transfer Heat transfer Monolith Monolith Porous pellet Porous pellet

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GB/T 7714 Zhang, Wei , Lin, Yixiong , Zhang, Yuming et al. Regulation of temperature distribution in fixed bed reactor for CO2 methanation through "CHESS" monolith structure catalyst [J]. | APPLIED THERMAL ENGINEERING , 2023 , 236 .
MLA Zhang, Wei et al. "Regulation of temperature distribution in fixed bed reactor for CO2 methanation through "CHESS" monolith structure catalyst" . | APPLIED THERMAL ENGINEERING 236 (2023) .
APA Zhang, Wei , Lin, Yixiong , Zhang, Yuming , Li, Tailin , Li, Jiazhou , Chen, Zhewen et al. Regulation of temperature distribution in fixed bed reactor for CO2 methanation through "CHESS" monolith structure catalyst . | APPLIED THERMAL ENGINEERING , 2023 , 236 .
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