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Efficient hydrogenolysis of fructose to 1,2-propanediol over bifunctional Ru-WO_(x)-MgO_(y) catalysts under mild reaction conditions via enhancing the chemoselective cleavage of C-C bonds

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Journal of Energy Chemistry 2024年第5期92卷 311-321页

作者： Shuang Luo Tie Shu Min Mao Haijie Yu Yuxin Zheng Daqian Ding Lingmei Liu Kexin Yao Jianjian Wang School of Chemistry and Chemical Engineering State Key Laboratory of Coal Mine Disaster Dynamics and ControlInstitute of Advanced Interdisciplinary StudiesMulti-scale Porous Materials CenterChongqing UniversityChongqing 401331China Key Laboratory for Efficient Conversion and Circular Economy of coal Chemical Engineering CollegeInner Mongolia University of TechnologyHohhot 010051Inner MongoliaChina

Selective conversion of fructose to 1,2-propanediol(1,2-PDO)is considered as a sustainable and cost-effective alternative to petroleum-based processes,however,this approach still faces challenges associated with low efficiency and harsh reaction conditions.Here,we have successfully synthesized a novel bifunctional Ru-WO_(x)-MgO_(y) catalyst through a facile'one-pot'solvothermal method.Remarkably,this catalyst exhibits exceptional catalytic performances in the conversion of fructose to 1,2-PDO under mild reaction conditions.The yield of 1,2-PDO is up to 56.2%at 140°C for 4 h under an ultra-low hydrogen pressure of only 0.2 MPa,surpassing the reported results in recent literature(below 51%).Comprehensive characterizations and density functional theory(DFT)calculations reveal that the presence of oxygen vacancies in the Ru-WO_(x)-MgO_(y) catalyst,serving as active acidic sites,facilitates the chemoselective cleavage of C-C bonds in fructose,which leads to the generation of active intermediates and ultimately resulted in the high yield of 1,2-PDO.

关键词： Biomass Fructose 1,2-Propanediol Retroaldol condensation Heterogenous catalysis

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Impact of H_(2)S on Hg^(0)capture performance over nitrogen-doped carbon microsphere sorbent:experimental and theoretical insights

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Frontiers of Chemical Science and Engineering 2024年第3期18卷 89-100页

作者： Guopei Zhang Xiaoyang Zhang Xiangwen Xing Xiangru Kong Lin Cui Dong Yong National Engineering Laboratory for Reducing Emissions from coal Combustion Shandong UniversityJinan250061China Bingtuan Energy Development Institute Shihezi UniversityShihezi832000China

A nitrogen-doped carbon microsphere sorbent with a hierarchical porous structure was synthesized via aggregation-hydrothermal carbonization.The Hg^(0)adsorption performance of the nitrogen-doped carbon microsphere sorbent was tested and compared with that of the coconut shell activated carbon prepared in the laboratory.The effect of H_(2)S on Hg^(0)adsorption was also investigated.The nitrogen-doped carbon microsphere sorbent exhibited superior mercury removal performance compared with that of coconut shell activated carbon.In the absence of H_(2)S at a low temperature(≤100℃),the Hg^(0)removal efficiency of the nitrogen-doped carbon microsphere sorbent exceeded 90%.This value is significantly higher than that of coconut shell activated carbon,which is approximately 45%.H_(2)S significantly enhanced the Hg^(0)removal performance of the nitrogen-doped carbon microsphere sorbent at higher temperatures(100–180℃).The hierarchical porous structure facilitated the diffusion and adsorption of H_(2)S and Hg^(0),while the nitrogen-containing active sites significantly improved the adsorption and dissociation capabilities of H_(2)S,contributing to the generation of more active sulfur species on the surface of the nitrogen-doped carbon microsphere sorbent.The formation of active sulfur species and HgS on the sorbent surface was further confirmed using X-ray photoelectron spectroscopy and Hg^(0)temperature-programmed desorption tests.Density functional theory was employed to elucidate the adsorption and transformation of Hg^(0)on the sorbent surface.H_(2)S adsorbed and dissociated on the sorbent surface,generating active sulfur species that reacted with gaseous Hg^(0)to form HgS.

关键词： nitrogen-doped carbon microsphere H_(2)S Hg^(0)removal adsorption mechanism

Molecular investigation into the transformation of recalcitrant dissolved organic sulfur in refinery sour water during stripping process

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Petroleum Science 2024年第3期21卷 2112-2119页

作者： Yu-Guo Li Chen He Chun-Mao Chen Fan Liu Quan Shi State Key Laboratory of Heavy Oil Processing China University of Petroleum State Key Laboratory of coal Mining and Clean Utilization PetroChina Ningxia Petrochemical Company

Refinery sour water primarily originates from the tops of towers in various units and coker condensate,and cannot be discharged directly to a wastewater treatment plant due to high levels of chemical oxygen demand(COD) and organic sulfur contents. Even after the recovery of H2S from the sour water by the stripping process, the effluent still contains a high concentration of dissolved organic sulfur(DOS), which can have a huge bad influence. While chemical composition of dissolved organic matter(DOM) in refinery wastewater has been extensively studied, the investigation of recalcitrant DOS from sour waters remains unclear. In the present study, chemical composition of sour water DOMs(especially DOS) was investigated using fluorescence spectroscopy(excitation-emission matrix, EEM) and mass spectrometry,including gas chromatography-mass spectrometry(GC-MS) and high-resolution Orbitrap MS. The GC-MS and EEM results showed that volatile and low-aromaticity compounds were effectively removed during the stripping process, while compounds with high hydrophilicity and humification degree were found to be more recalcitrant. The Orbitrap MS results showed that weak-polar oxygenated sulfur compounds were easier to be removed than oxygenated compounds. However, the effluent still contained significant amounts of sulfur-containing compounds with multiple sulfur atoms, particularly in the form of highly unsaturated and aromatic compounds. The Orbitrap MS/MS results of CHOS-containing compounds from the effluent indicate that the sulfur atoms may exist as sulfonates, disulfide bonds, thioethers. Understanding the composition and structure of sour water DOS is crucial for the development of effective treatment processes that can target polysulfide compounds and minimize their impact on the environment.

关键词： Molecular transformation Dissolved organic sulfur Stripping process Refinery sour water Orbitrap MS

A robust triaxial localization method of AE source using refraction path

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International Journal of Mining Science and Technology 2024年第4期34卷 521-530页

作者： Yichao Rui Jie Chen Jiongkun Chen Jiadong Qiu Zilong Zhou Wenzhong Wang Jinyang Fan State Key Laboratory of coal Mine Disaster Dynamics and Control Chongqing UniversityChongqing 400044China School of Resources and Safety Engineering Chongqing UniversityChongqing 400044China School of Resources Environment and Safety Engineering University of South ChinaHengyang 421001China School of Resources and Safety Engineering Central South UniversityChangsha 410083China coal Geological Exploration Institute of Gansu Lanzhou 730030China

Acoustic emission(AE)localization algorithms based on homogeneous media or single-velocity are less accurate when applied to the triaxial localization experiments.To the end,a robust triaxial localization method of AE source using refraction path is proposed.Firstly,the control equation of the refraction path is established according to the sensor coordinates and arrival times.Secondly,considering the influence of time-difference-of-arrival(TDOA)errors,the residual of the governing equation is calculated to estimate the equation weight.Thirdly,the refraction points in different directions are solved using Snell’s law and orthogonal constraints.Finally,the source coordinates are iteratively solved by weighted correction terms.The feasibility and accuracy of the proposed method are verified by pencil-lead breaking experiments.The simulation results show that the new method is almost unaffected by the refraction ratio,and always holds more stable and accurate positioning performance than the traditional method under different ratios and scales of TDOA outliers.

关键词： Acoustic emission(AE) Source localization Robust method Refraction paths Weight estimations

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Effect of Air Distribution on the Transport Characteristics of Solid Particles in the Thermal Storage and Release System of Circulating Fluidized Bed

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Journal of Thermal Science 2024年第4期33卷 1554-1563页

作者： JI Zengcai SONG Guoliang TANG Zihua SUN Liwei State Key Laboratory of coal Conversion Institute of Engineering ThermophysicsChinese Academy of Sciences University of Chinese Academy of Sciences Dalian National Laboratory for Clean Energy

Solid particle heat storage technology offers a potential solution to the challenges posed by the significant growth of renewable energy sources,particularly in terms of grid security and stability.Consequently,it has the capability to optimize the energy utilization efficiency of the power system.In order to investigate the transport regulation characteristics of solid particles in the thermal storage and release system of a circulating fluidized bed(CFB),a test rig with a capacity of 0.1 MW(th) was established.This rig was utilized to systematically study the transport regulation characteristics of solid particles under the double U-type valve feed structure and U-type valve discharge structure.The experimental findings indicate that the system's design enables efficient and rapid storage and release of solid particles in the CFB.The air distribution mode,specifically the double U-type valve feed structure and the U-type valve discharge structure,significantly influence the feed and discharge characteristics of the ash storage bin.It was observed that the impact of loose air on these characteristics is more substantial than that of the return air,irrespective of the feed structure or the return structure.When adjusting the feed and discharge rate,it is recommended to adopt a scheme that involves coarse adjustment through loose air and fine adjustment through return air.

关键词： solid particle thermal storage air distribution mode transport regulation

Diagenetic evolution and reservoir quality of the Oligocene sandstones in the Baiyun Sag, Pearl River Mouth Basin, South China Sea

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Acta Oceanologica Sinica 2024年第2期43卷 67-82页

作者： Bing Tian Shanshan Zuo Youwei Zheng Jie Zhang Jiayu Du Jun Tang Institute of Mining and coal Inner Mongolia University of Science and TechnologyBaotou 014010China Institute of Science Inner Mongolia University of Science and TechnologyBaotou 014010China

The Oligocene Zhuhai sandstones are significant reservoirs for hydrocarbons in the Baiyun Sag, South China Sea.For effective appraisal, exploration and exploitation of such a deep-water hydrocarbon sandstone, samples of five wells from depths of 850 m to 3 000 m were studied. A series of comprehensive petrographic and geochemical analyses were performed to unravel the diagenetic features and their impact on the reservoir quality.Petrographically, the sandstones are dominated by feldspathic litharenites and lithic arenites with fine to medium grain sizes and moderate to good sorting. The reservoir quality varies greatly with a range of porosity from 0.2% to 36.1% and permeability from 0.016 ×10~(–3) μm~2 to 4 301 ×10~(–3) μm~2, which is attributed to complex diagenetic evolution related to sedimentary facies;these include compaction, cementation of calcite, dolomite, siderite and framboidal pyrite in eogenetic stage;further compaction, feldspar dissolution, precipitation of ferrocalcite and ankerite, quartz cements, formation of kaolinite and its illitization, precipitation of albite and nodular pyrite, as well as hydrocarbon charge in mesogenetic stage. The dissolution of feldspar and illitization of kaolinite provide internal sources for the precipitation of quartz cement, while carbonate cements are derived from external sources related to interbedded mudstones and deep fluid. Compaction is the predominant factor in reducing the total porosity, followed by carbonate cementation that leads to strong heterogeneity. Feldspar dissolution and concomitant quartz and clay cementation barely changes the porosity but significantly reduces the permeability.The high-quality reservoirs can be concluded as medium-grained sandstones lying in the central parts of thick underwater distributary channel sandbodies(>2 m) with a high content of detrital quartz but low cement.

关键词： Baiyun Sag Oligocene Zhuhai Formation diagenesis reservoir quality

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Temperature-Dependent Tearing Behavior of Rubber Materials:Characterization and Modeling

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Acta Mechanica Solida Sinica 2024年第2期37卷 316-326页

作者： Qinyuan Yao Feilong Zhang Pan Dong Ziyuan Zhao Yi He Weiguo Li Liming Chen State Key Laboratory of coal Mine Disaster Dynamics and Control Chongqing UniversityChongqing400044China College of Aerospace Engineering Chongqing UniversityChongqing400044China

With the increasingly widespread application of rubber in many fields,there is a growing demand for quantitative characterization of temperature-dependent mechanical properties in high-temperature service environments.The critical tearing energy is an important criterion for determining whether rubber materials will experience tearing instability,while tear strength is a key parameter for rubber materials to resist tearing.It is necessary to quantitatively characterize their evolution with temperature.Current theoretical research mainly relies on fitting a large amount of experimental data,which is not convenient for engineering applications.Therefore,in this work,a temperature-dependent critical tearing energy model is firstly developed based on the force-heat equivalence energy density principle.This model considers the equivalent relationship between the critical tearing energy required for crack instability propagation and the thermal energy stored in the rubber material.It is demonstrated that our model has higher prediction accuracy when compared to other models.Furthermore,combining with the Griffith fracture theory,temperature-dependent tear strength models applicable to three different crack modes are separately established.These models are validated using experimental data for Mode I opening cracks and ModeⅢtearing cracks,and good consistency is achieved.Additionally,a quantitative analysis of the influence of elastic modulus on tear strength at different temperatures is conducted.This work provides a reliable way for predicting temperature-dependent tearing instability behavior and offers beneficial suggestions for improving the tear strength of rubber materials at different temperatures.

关键词： Temperature-dependent Critical tearing energy Tear strength Rubber Theoretical model

Predicting microseismic,acoustic emission and electromagnetic radiation data using neural networks

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第2期16卷 616-629页

作者： Yangyang Di Enyuan Wang Zhonghui Li Xiaofei Liu Tao Huang Jiajie Yao School of Materials Engineering Changshu Institute of TechnologySuzhou215506China Key Laboratory of Gas and Fire Control for coal Mines(China University of Mining and Technology) Ministry of EducationXuzhou221116China School of Safety Engineering China University of Mining and TechnologyXuzhou221116China State Key Laboratory of coal Resources and Safe Mining China University of Mining and TechnologyXuzhou221116China

Microseism,acoustic emission and electromagnetic radiation(M-A-E)data are usually used for predicting rockburst hazards.However,it is a great challenge to realize the prediction of M-A-E data.In this study,with the aid of a deep learning algorithm,a new method for the prediction of M-A-E data is proposed.In this method,an M-A-E data prediction model is built based on a variety of neural networks after analyzing numerous M-A-E data,and then the M-A-E data can be predicted.The predicted results are highly correlated with the real data collected in the field.Through field verification,the deep learning-based prediction method of M-A-E data provides quantitative prediction data for rockburst monitoring.

关键词： Microseism Acoustic emission Electromagnetic radiation Neural networks Deep learning Rockburst

Spectral narratives of microstructural restyling and their controls on hydrocarbon generation potential from coal

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International Journal of coal Science & Technology 2023年第3期10卷 167-189页

作者： Tushar Adsul Santanu Ghosh Anwita Ojha Sudip Bhattacharyya Atul Kumar Varma coal Geology and Organic Petrology Laboratory Department of Applied GeologyIndian Institute of Technology(Indian School of Mines)DhanbadJharkhand 826004India Department of Geology Mizoram UniversityAizawlMizoram 796004India Specialized coal Petrography Laboratory Natural Energy ResourcesMission II-BGeological Survey of IndiaDK-6Sector-IlSalt Lake CityKolkataWest Bengal 700091India

The low to medium-rank Tertiary coals from Meghalaya,india,are explored for the first time for their comprehensive micro-structural characterization using the FTIR and Raman spectroscopy.Further,results from these coals are compared with the Permian medium and high-rank coals to understand the microstructural restyling during coalification and its controls on hydrocarbon generation.The coal samples are grouped based on the mean random vitrinite reflectance values to record the transformations in spectral attributes with increasing coal rank.The aliphatic carbon and the apparent aromaticity respond sharply to the first coalification jump(R:0.50%)during low to medium-rank transition and anchizonal metamorphism of the high-rank coals.Moreover,the Raman band intensity ratio changes during the first coalification jump but remains invari-able in the medium-rank coals and turns subtle again during the onset of pregraphitization in high-rank coals,revealing a polynomial trend with the coal metamorphism.The Rock-Eval hydrogen index and genetic potential also decline sharply at the first coalification jump.Besides,an attempt to comprehend the coal microstructural controls on the hydrocarbon poten-tial reveals that the Tertiary coals comprise highly reactive aliphatic functionalities in the type I-S kerogen,along with the low paleotemperature(74.59-112.28℃)may signify their potential to generate early-mature hydrocarbons.However,the presence of type II-II admixed kerogen,a lesser abundance of reactive moieties,and overall moderate paleotemperature(91.93-142.52℃)of the Permian medium-rank coals may imply their mixed hydrocarbon potential.Meanwhile,anchizonal metamorphism,polycondensed aromatic microstructure,and high values of paleotemperature(~334.25 to~366.79℃)of the high-rank coals indicate a negligible potential of producing any hydrocarbons.

关键词： Early mature oil generation Meghalaya high-sulfur coal Type II-S kerogen Microstructural ordering coalification jump Hydrocarbon generation potential