Chinese Journal of Chemical Engineering最新文献_第2页

Measurement and calculation of solid–liquid equilibria of two quinary systems LiBr–NaBr–MgBr2–SrBr2–H2O and LiBr–KBr–MgBr2–SrBr2–H2O at 298.15 K

IF 3.7 3区工程技术

Chinese Journal of Chemical Engineering Pub Date : 2025-03-01 DOI: 10.1016/j.cjche.2024.11.014

Guo-Liang Nie , Rui-Zhi Cui , Hong-Bao Ren , Qiu-Ye Yang , Wu Li

{"title":"Measurement and calculation of solid–liquid equilibria of two quinary systems LiBr–NaBr–MgBr2–SrBr2–H2O and LiBr–KBr–MgBr2–SrBr2–H2O at 298.15 K","authors":"Guo-Liang Nie , Rui-Zhi Cui , Hong-Bao Ren , Qiu-Ye Yang , Wu Li","doi":"10.1016/j.cjche.2024.11.014","DOIUrl":"10.1016/j.cjche.2024.11.014","url":null,"abstract":"<div><div>As an important strategic reserve resource, the comprehensive development and utilization of Nanyishan oil-gas field brine will bring great economic and social value. Here, according to the composition characteristics of this oil-gas field brine being rich in lithium, potassium and strontium, the solid-liquid stable phase equilibria and phase diagrams of Li-containing quaternary system (LiBr–MgBr<sub>2</sub>–SrBr<sub>2</sub>–H<sub>2</sub>O) and two quinary systems (LiBr–NaBr–MgBr<sub>2</sub>–SrBr<sub>2</sub>–H<sub>2</sub>O and LiBr–KBr–MgBr<sub>2</sub>–SrBr<sub>2</sub>–H<sub>2</sub>O) were studied at 298.15 K. Based on the results of phase equilibrium experimental research, the phase equilibrium relationship and crystallization-dissolution behavior of each component in liquid phase were revealed theoretically, and the changing trend was summarized. Using theoretical model of Pitzer electrolyte solution, the relevant interaction parameters of mixed ions at 298.15 K were obtained by fitting experimental data, and the solubility reaching equilibrium of various salts in above systems was calculated, and the experimental results were verified. The research results of this paper lay an important foundation for further theoretical study of multi-temperature phase equilibrium and thermodynamic properties of complex brine system in the later stage. Meanwhile, it provides basic thermodynamic data and theoretical guidance for the rational development and comprehensive utilization of this oil-gas field brine resources.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"79 ","pages":"Pages 185-199"},"PeriodicalIF":3.7,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143580120","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}

引用次数: 0

Copper-based metal–organic framework with two methane traps for efficient CH4/N2 separation

IF 3.7 3区工程技术

Chinese Journal of Chemical Engineering Pub Date : 2025-03-01 DOI: 10.1016/j.cjche.2024.12.002

Zhiwei Zhao , Yating Wang , Yuhao Tang , Xiaoqing Wang , Feifei Zhang , Jiangfeng Yang

{"title":"Copper-based metal–organic framework with two methane traps for efficient CH4/N2 separation","authors":"Zhiwei Zhao , Yating Wang , Yuhao Tang , Xiaoqing Wang , Feifei Zhang , Jiangfeng Yang","doi":"10.1016/j.cjche.2024.12.002","DOIUrl":"10.1016/j.cjche.2024.12.002","url":null,"abstract":"<div><div>Unconventional natural gas has become an important supplement to conventional energy sources, and the process of enrichment and purification of methane from low concentration coalbed methane is crucial. To this end, we report a copper-based metal–organic framework (MOF), ZJNU-119Cu, featuring two methane traps constructed with uncoordinated carboxylic acid oxygens and open metal sites. ZJNU-119Cu exhibits a high methane adsorption capacity (58.2 cm<sup>3</sup>·g<sup>−1</sup>) at 298 K and 0.1 MPa and excellent CH<sub>4</sub>/N<sub>2</sub> separation performance under dynamic conditions. Density-functional theory calculations combined with grand canonical Monte Carlo simulation theory reveal the interaction mechanism for the uncoordinated carboxylic acid oxygen atoms and open metal sites in ZJNU-119Cu with CH<sub>4</sub>. The gas adsorption isotherms, heat of adsorption calculations, and breakthrough separation experiments indicate that this MOF is a very promising adsorbent for CH<sub>4</sub>/N<sub>2</sub> separation.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"79 ","pages":"Pages 234-240"},"PeriodicalIF":3.7,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143580595","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}

引用次数: 0

Toward the rational design for low-temperature hydrogenation of silicon tetrachloride: Mechanism and data-driven interpretable descriptor

IF 3.7 3区工程技术

Chinese Journal of Chemical Engineering Pub Date : 2025-03-01 DOI: 10.1016/j.cjche.2024.10.032

Zhe Ding , Li Guo , Fang Bai , Chao Hua , Ping Lu , Jinyi Chen

{"title":"Toward the rational design for low-temperature hydrogenation of silicon tetrachloride: Mechanism and data-driven interpretable descriptor","authors":"Zhe Ding , Li Guo , Fang Bai , Chao Hua , Ping Lu , Jinyi Chen","doi":"10.1016/j.cjche.2024.10.032","DOIUrl":"10.1016/j.cjche.2024.10.032","url":null,"abstract":"<div><div>Low-temperature hydrogenation of silicon tetrachloride (STC) is an essential step in polysilicon production. The addition of CuCl to silicon powder is currently a commonly used catalytic method and the silicon powder acts as both a reactant and a catalyst. However, the reaction mechanism and the structure-activity relationship of this process have not been fully elucidated. In this work, a comprehensive study of the reaction mechanism in the presence of Si and Cu<sub>3</sub>Si was carried out using density functional theory (DFT) combined with experiments, respectively. The results indicated that the rate-determining step (RDS) in the presence of Si is the phase transition of Si atom, meanwhile, the RDS in the presence of Cu<sub>3</sub>Si is the TCS-generation process. The activation barrier of the latter is smaller, highlighting that the interaction of Si with the bulk phase is the pivotal factor influencing the catalytic activity. The feasibility of transition metal doping to facilitate this step was further investigated. The Si disengage energy (<em>E</em><sub>d</sub>) was used as a quantitative parameter to assess the catalytic activity of the catalysts, and the optimal descriptor was determined through interpretable machine learning. It was demonstrated that d-band center and electron transfer play a crucial role in regulating the level of <em>E</em><sub>d</sub>. This work reveals the mechanism and structure-activity relationship for the low-temperature hydrogenation reaction of STC, and provides a basis for the rational design of catalysts.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"79 ","pages":"Pages 172-184"},"PeriodicalIF":3.7,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143580114","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}

引用次数: 0

Analysis of discharging characteristics of the storage system by adsorption for boil off gas (BOG) from onboard LNG

IF 3.7 3区工程技术

Chinese Journal of Chemical Engineering Pub Date : 2025-03-01 DOI: 10.1016/j.cjche.2024.10.038

Baifeng Yang , Qingrong Zheng , Shenhua Yang

{"title":"Analysis of discharging characteristics of the storage system by adsorption for boil off gas (BOG) from onboard LNG","authors":"Baifeng Yang , Qingrong Zheng , Shenhua Yang","doi":"10.1016/j.cjche.2024.10.038","DOIUrl":"10.1016/j.cjche.2024.10.038","url":null,"abstract":"<div><div>In observation of efficiently utilizing the boil off gas (BOG) from onboard liquefied natural gas (LNG), storage by adsorption is employed to construct an auxiliary system for fuel storage. A typical LNG powered ship was selected, and the storage by adsorption system was designed as per the amount of BOG released during the process of charging and that from daily evaporation on the LNG storage tank. Researches were conducted experimentally and numerically on a 1 L conformable vessel typically designed for adsorbing BOG. Verification of the accuracy of the results from simulations was performed by comparing the data recorded during the charging and discharging process of methane on the vessel packed with one kind of commercially available activated carbon SAC-01 (<em>S</em><sub>BET</sub> = 1507 m<sup>2</sup>·g<sup>−1</sup>). Simulations were conducted further to evaluate the performance of the vessel respectively filled with activated carbon AX-21, HKUST-1, MIL-101(Cr), MOF-5. It shows that the mean relative error between the data from simulations and the experimental data is less than 5%. Results also reveal that, within the flow rates range in correspondence with the fuel consumed by the model ship's power unit under its typical working conditions, the mean temperature fluctuation within the vessel is the weakest while packing HKUST-1, which results in the largest accumulated amount of discharge. It suggests that HKUST-1 is a suitable adsorbent for storage by adsorption of BOG from on board LNG.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"79 ","pages":"Pages 62-71"},"PeriodicalIF":3.7,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143561974","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}

引用次数: 0

Research on application of salt-free reductants in uranium/neptunium/plutonium separation 无盐还原剂在铀/镎/钚分离中的应用研究

IF 3.7 3区工程技术

Chinese Journal of Chemical Engineering Pub Date : 2025-03-01 DOI: 10.1016/j.cjche.2024.11.009

Qi Chen, Tianchi Li, Ziqian Zhao, Yifu Hu, Baole Li, Taihong Yan, Guoan Ye

{"title":"Research on application of salt-free reductants in uranium/neptunium/plutonium separation","authors":"Qi Chen, Tianchi Li, Ziqian Zhao, Yifu Hu, Baole Li, Taihong Yan, Guoan Ye","doi":"10.1016/j.cjche.2024.11.009","DOIUrl":"10.1016/j.cjche.2024.11.009","url":null,"abstract":"<div><div>In current spent nuclear fuel reprocessing, the predominant method involves chemical extraction, leveraging the differing distribution ratios of elements to achieve separation and purification. Effective separation of uranium (U), plutonium (Pu), and neptunium (Np) typically relies on redox processes that alter their oxidation states during extraction. Therefore, reductants play a critical role in reprocessing processes. An important shift in the advanced reprocessing process is the use of salt-free reagents in the actinide separation process. In addition, the salt content in the reprocessing stream is often indicative of the overall technological sophistication of the process, and it is critical to reform the reductants used in the main process stream. Salt-free reductants have attracted much attention in recent years for basic and applied research in reprocessing processes because of their advantages such as being easily destroyed, not introducing salts, reacting quickly, simplifying the process, and reducing the amount of waste. This study summarizes emerging salt-free reagents with potential applications in reprocessing, and outlines their kinetic and chemical reaction mechanism properties in reducing Pu(IV) and Np(VI). The conclusion discusses the future potential of salt-free reagents in reprocessing. This study summarizes the currently well-studied salt-free reductants and offers recommendations and future research directions in salt-free alternatives.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"79 ","pages":"Pages 30-44"},"PeriodicalIF":3.7,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143534020","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}

引用次数: 0

Evaporation crystallization for the extraction of potassium bromide from bitters by phase equilibrium

IF 3.7 3区工程技术

Chinese Journal of Chemical Engineering Pub Date : 2025-03-01 DOI: 10.1016/j.cjche.2024.11.015

Yulong Zhang , Yun Li , Hongfei Guo , Dong Xu , Jilin Cao

{"title":"Evaporation crystallization for the extraction of potassium bromide from bitters by phase equilibrium","authors":"Yulong Zhang , Yun Li , Hongfei Guo , Dong Xu , Jilin Cao","doi":"10.1016/j.cjche.2024.11.015","DOIUrl":"10.1016/j.cjche.2024.11.015","url":null,"abstract":"<div><div>Aiming at the problems of complex process and high cost in the production of potassium bromide at present, the solubility data and the phase diagram of the quaternary system KBr–MgBr<sub>2</sub>–K<sub>2</sub>SO<sub>4</sub>–MgSO<sub>4</sub>–H<sub>2</sub>O at 298.15 K were studied using the isothermal dissolution equilibrium method. The results showed that there are eight invariant points, sixteen univariant curves, and nine crystallization regions in the phase diagram which is complex and contains two double salts (K<sub>2</sub>SO<sub>4</sub>·MgSO<sub>4</sub>·6H<sub>2</sub>O and KBr·MgBr<sub>2</sub>·6H<sub>2</sub>O) and a metastable phase (MgSO<sub>4</sub>·5H<sub>2</sub>O). On the basis of the Pitzer model and HW model, the solubilities of the quaternary system were calculated, with which the corresponding phase diagram was plotted. By comparison, the evaluated phase diagram is in accordance with the measured one. Through analysis, the phase diagrams of the quaternary system at (298.15 and 323.15) K were combined to put forward a process to separate KBr from the system by evaporation and crystallization, which realized the full circulation of the mother solution.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"79 ","pages":"Pages 212-218"},"PeriodicalIF":3.7,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143580122","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}

引用次数: 0

Investigation of the formation processes of CO2 hydrate films on the interface of liquid carbon dioxide with humic acids solutions

IF 3.7 3区工程技术

Chinese Journal of Chemical Engineering Pub Date : 2025-03-01 DOI: 10.1016/j.cjche.2024.10.030

Aleksey K. Sagidullin , Sergey S. Skiba , Tatyana P. Adamova , Andrey Y. Manakov

{"title":"Investigation of the formation processes of CO2 hydrate films on the interface of liquid carbon dioxide with humic acids solutions","authors":"Aleksey K. Sagidullin , Sergey S. Skiba , Tatyana P. Adamova , Andrey Y. Manakov","doi":"10.1016/j.cjche.2024.10.030","DOIUrl":"10.1016/j.cjche.2024.10.030","url":null,"abstract":"<div><div>Morphology and growth rate of carbon dioxide hydrate on the interface between liquid carbon dioxide and humic acid solutions were studied in this work. It was found that after the growth of the hydrate film at the interface, further growth of hydrate due to the suction of water in the capillary system formed between the wall of the cuvette and the end boundary of the hydrate layer occurs. Most probably, substantial effects on the formation of this capillary system may be caused by variations in reactor wall properties, for example, hydrophobic-hydrophilic balance, roughness, <em>etc.</em> We found, that the rate of CO<sub>2</sub> hydrate film growth on the surface of the humic acid aqueous solution is 4-fold to lower in comparison with the growth rate on the surface of pure water. We suppose that this is caused by the adsorption of humic acid associates on the surface of hydrate particles and, as a consequence, by the deceleration of the diffusion of dissolved carbon dioxide to the growing hydrate particle.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"79 ","pages":"Pages 53-61"},"PeriodicalIF":3.7,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143561973","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}

引用次数: 0

Synthesis of a porous organic polymer via click reaction for efficient CH4/C2H6/C3H8 separation

IF 3.7 3区工程技术

Chinese Journal of Chemical Engineering Pub Date : 2025-03-01 DOI: 10.1016/j.cjche.2024.11.013

Xun Wang, Tianjian Lun, Changbin Xu, Haolong Zheng, Daofei Lv, Xin Chen, Jian Yan, Junjie Peng, Feng Xu, Zewei Liu

{"title":"Synthesis of a porous organic polymer via click reaction for efficient CH4/C2H6/C3H8 separation","authors":"Xun Wang, Tianjian Lun, Changbin Xu, Haolong Zheng, Daofei Lv, Xin Chen, Jian Yan, Junjie Peng, Feng Xu, Zewei Liu","doi":"10.1016/j.cjche.2024.11.013","DOIUrl":"10.1016/j.cjche.2024.11.013","url":null,"abstract":"<div><div>Adsorptive separation holds important prospect for the challenging recovery of C<sub>2</sub>H<sub>6</sub> and C<sub>3</sub>H<sub>8</sub> from natural gas and the separation efficiency is primarily determined by a high-performance adsorbent. In this work, we reported the synthesis of a novel porous organic polymer, FOSU-POP-1 for the separation of CH<sub>4</sub>/C<sub>2</sub>H<sub>6</sub>/C<sub>3</sub>H<sub>8</sub>. The FOSU-POP-1 was synthesized from tetrakis(4-azidophenyl)methane and 1,3,5-triethynylbenzene <em>via</em> click reaction with a Brunauer–Emmett–Teller (BET) surface area of 1038 m<sup>2</sup>·g<sup>−1</sup>. Exhibiting stronger affinity towards C<sub>3</sub>H<sub>8</sub> and C<sub>2</sub>H<sub>6</sub> than CH<sub>4</sub>, 2.85 mmol·g<sup>−1</sup> for C<sub>3</sub>H<sub>8</sub> and 2.14 mmol·g<sup>−1</sup> for C<sub>2</sub>H<sub>6</sub> were achieved on the FOSU-POP-1 at 0.1 MPa, 298 K, with an ideal adsorbed solution theory selectivity of 227 for C<sub>3</sub>H<sub>8</sub>/CH<sub>4</sub>. The breakthrough experiment confirmed the good dynamic separation performance and recyclability of FOSU-POP-1 for CH<sub>4</sub>/C<sub>2</sub>H<sub>6</sub>/C<sub>3</sub>H<sub>8</sub> ternary mixture. The density functional theory calculation further revealed that the N atom in triazole ring interacted strongly with the C<sub>3</sub>H<sub>8</sub> and C<sub>2</sub>H<sub>6</sub>. This work highlighted the promising capability of FOSU-POP-1 for efficiently separating CH<sub>4</sub>/C<sub>2</sub>H<sub>6</sub>/C<sub>3</sub>H<sub>8</sub> mixture.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"79 ","pages":"Pages 252-259"},"PeriodicalIF":3.7,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143580597","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}

引用次数: 0

In-situ construction of morphology-controllable flower-shaped lignin-derived carbon/ZnO composite for efficient photocatalytic degradation of organic dyes

IF 3.7 3区工程技术

Chinese Journal of Chemical Engineering Pub Date : 2025-03-01 DOI: 10.1016/j.cjche.2024.11.010

Zhengtao Wei , Xiaofei Wang , Xuliang Lin , Xueqing Qiu

{"title":"In-situ construction of morphology-controllable flower-shaped lignin-derived carbon/ZnO composite for efficient photocatalytic degradation of organic dyes","authors":"Zhengtao Wei , Xiaofei Wang , Xuliang Lin , Xueqing Qiu","doi":"10.1016/j.cjche.2024.11.010","DOIUrl":"10.1016/j.cjche.2024.11.010","url":null,"abstract":"<div><div>The emission of organic pollutants from the dye industry and medical treatment represents a significant threat to the quality of water resources and human health. The development of green, environmentally friendly and efficient photocatalysts for the removal of organic pollutants from the environment is of paramount importance in addressing these issues. Flower-like lignin-derived carbon (LC)/zinc oxide (ZnO) composites with controllable morphology were synthesized via a direct precipitation method. In this study, alkali lignin was employed as an anionic active agent to alter the molecular arrangement on the liquid surface during the synthesis reaction and to reduce the surface tension between mixtures, thereby forming a special stacked morphology, which was then used for the highly efficient removal of methylidene blue (MB) and tetracycline hydrochloride (TCH) in water under different light conditions. The formation mechanism of LC/ZnO and the degradation characteristics under different reaction conditions were investigated. The loading of LC can form composites with large specific surface area and rich porous structure. In addition, with the help of lignin, the morphology of ZnO was changed from a rod-like structure to a lamellar structure, and LC could effectively reduce the band gap of ZnO, which could improve the electron transfer rate in the photocatalytic process. The ·O₂⁻ and ·OH radicals generated under photoexcitation promoted the decomposition of pollutants. This study presents a simple, economical, and scalable method for the application of photocatalysts and explores new ways for the high-value application of industrial lignin.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"79 ","pages":"Pages 241-251"},"PeriodicalIF":3.7,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143580596","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}

引用次数: 0

Hydrogenation kinetic of alkenes and aromatics over NiMo hydrotreatment catalysts 镍钼加氢处理催化剂上的烯烃和芳烃加氢动力学

IF 3.7 3区工程技术

Chinese Journal of Chemical Engineering Pub Date : 2025-03-01 DOI: 10.1016/j.cjche.2024.10.036

Wenbo Li , Xinyao Fu , Weiming Zhai , Xingyang Huang , Wenbin Chen , Chen Zhang , Wei Zhang , Cuiqing Li , Yong Luo , Feng Liu , Mingfeng Li

{"title":"Hydrogenation kinetic of alkenes and aromatics over NiMo hydrotreatment catalysts","authors":"Wenbo Li , Xinyao Fu , Weiming Zhai , Xingyang Huang , Wenbin Chen , Chen Zhang , Wei Zhang , Cuiqing Li , Yong Luo , Feng Liu , Mingfeng Li","doi":"10.1016/j.cjche.2024.10.036","DOIUrl":"10.1016/j.cjche.2024.10.036","url":null,"abstract":"<div><div>Hydrotreatment is a critical process in the petrochemical industry to produce gasoline or diesel. Proper kinetic models and accurate kinetic parameters of hydrotreatment reactions are important for the industrial reactor design and scale-up research. In this work, hydrogenation kinetics of alkene and aromatic model compounds were studied thoroughly to provide deep understanding on alkene and aromatic hydrogenation behaviors in gasoline and diesel hydrotreating. Commercial NiMo hydrotreatment catalysts were used to obtain experimental data of hydrogenation reactions. Cyclohexene, 1-octene, naphthalene and phenanthrene were used as model compounds of alkenes and aromatics. Langmuir-Hinshelwood-Hougen-Watson (LHHW) kinetic models for hydrotreatment reactions were established. In addition, phase equilibrium calculations were combined with kinetic study, and it is discovered that using calculated liquid phase compositions as kinetic model input could greatly enhance the accuracy of kinetic models and the quality of kinetic parameters, leading to higher accordance with experimental results. Using kinetic models and phase equilibrium analysis, the effect of reaction conditions (temperature, pressure, and H<sub>2</sub>/oil ratio) on reaction rates were also predicted and clarified. The importance of phase equilibrium in kinetic analysis for hydrotreating reactions was demonstrated in this study, which provides an effective approach for future hydrotreatment reactor design and catalyst optimization.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"79 ","pages":"Pages 11-22"},"PeriodicalIF":3.7,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143528990","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}

引用次数: 0