检索结果-南通市图书馆

库拜煤田拜城县顺发煤矿A3煤层煤岩煤质特征及其清洁利用方法研究

在线全文

同方期刊数据库

学校读者我要写书评

暂无评论

石化技术 2024年第2期31卷 104-106页

作者：胡振鹏新疆维吾尔自治区煤田地质局一五六煤田地质勘探队新疆乌鲁木齐830046

顺发煤矿位于新疆拜城县的西北方向,主要含煤地层为侏罗系下统塔里奇克组下段(J_(1)t^(1))A_(1)、A_(2)、A_(3)号煤层。通过收集整理顺发煤矿以往的勘探资料,系统分析了顺发煤矿A3煤层的煤岩物理性质、化学性质、工艺性能及分级分类等... 详细信息

顺发煤矿位于新疆拜城县的西北方向,主要含煤地层为侏罗系下统塔里奇克组下段(J_(1)t^(1))A_(1)、A_(2)、A_(3)号煤层。通过收集整理顺发煤矿以往的勘探资料,系统分析了顺发煤矿A3煤层的煤岩物理性质、化学性质、工艺性能及分级分类等煤质特征,并依据煤质提出清洁利用方法。

关键词：煤岩煤质顺发煤矿 A3煤层清洁利用

同方期刊数据库博看期刊评论

在线全文

学校读者我要写书评

暂无评论

煤岩煤质特征及其清洁利用方式研究

石化技术 2024年第2期31卷 196-198页

作者：胡振鹏新疆维吾尔自治区煤田地质局一五六煤田地质勘探队新疆乌鲁木齐830046

夹皮沟井田神龙煤矿位于新疆维吾尔自治区阜康市辖区的中新生代乌鲁木齐山前拗陷的东段,博格达复背斜弧形推覆体北侧,主要的含煤地层为侏罗系下统八道湾组(J_(1)b)A2、A3、A4煤层。在收集了夹皮沟井田以往勘探资料的基础上,系统分析了... 详细信息

夹皮沟井田神龙煤矿位于新疆维吾尔自治区阜康市辖区的中新生代乌鲁木齐山前拗陷的东段,博格达复背斜弧形推覆体北侧,主要的含煤地层为侏罗系下统八道湾组(J_(1)b)A2、A3、A4煤层。在收集了夹皮沟井田以往勘探资料的基础上,系统分析了神龙煤矿A2煤层的煤岩煤质特征,煤质主要为特低灰、特低硫、低磷、富油、特高热值,可作为配焦用煤和工业动力用煤及良好的民用煤。

关键词：煤岩煤质夹皮沟井田 A2煤层煤炭清洁利用

Determining hubbard U of VO_(2) by the quasi-harmonic approximation

同方期刊数据库博看期刊评论

在线全文

学校读者我要写书评

暂无评论

Chinese Physics B 2024年第1期33卷 623-630页

作者：孔龙娟陆雨航庄新莹周志勇胡振芃 School of Physics Nankai UniversityTianjin 300071China

Vanadium dioxide VO_(2) is a strongly correlated material that undergoes a metal-to-insulator transition around 340 *** order to describe the electron correlation effects in VO_(2), the DFT+U method is commonly employed in ***, the choice of the hubbard U parameter has been a subject of debate and its value has been reported over a wide range. In this paper, taking focus on the phase transition behavior of VO_(2), the hubbard U parameter for vanadium oxide is determined by using the quasi-harmonic approximation(QHA). First-principles calculations demonstrate that the phase transition temperature can be modulated by varying the U values. The phase transition temperature can be well reproduced by the calculations using the Perdew–Burke–Ernzerhof functional combined with the U parameter of 1.5eV. Additionally,the calculated band structure, insulating or metallic properties, and phonon dispersion with this U value are in line with experimental observations. By employing the QHA to determine the hubbard U parameter, this study provides valuable insights into the phase transition behavior of VO_(2). The findings highlight the importance of electron correlation effects in accurately describing the properties of this material. The agreement between the calculated results and experimental observations further validates the chosen U value and supports the use of the DFT+U method in studying VO_(2).

关键词： quasi-harmonic approximation vanadium dioxide first-principles calculation hubbard U

金属镍活性中心在惰性金属载体中的自分散及其催化炔烃选择加氢性能

在线全文

学校读者我要写书评

暂无评论

Chinese Journal of Catalysis 2024年第6期61卷 259-268页

作者：邓欣郑彩艳李玮杰王佳敏杨迪胡振芃李兰冬南开大学化学学院有机新物质创造前沿科学中心天津300071 南开大学物理科学学院天津300071 物质绿色创造与制造海河实验室天津300192

单位点催化剂因具有较好的活性、较高的原子利用率和目标产物选择性,在基础科学研究及工业生产领域受到了广泛关注.然而,单位点催化剂的合成策略通常较为繁琐,需要精细调控金属活性中心与载体之间的相互作用.较弱的相互作用可能会导致... 详细信息

单位点催化剂因具有较好的活性、较高的原子利用率和目标产物选择性,在基础科学研究及工业生产领域受到了广泛关注.然而,单位点催化剂的合成策略通常较为繁琐,需要精细调控金属活性中心与载体之间的相互作用.较弱的相互作用可能会导致金属活性位点的迁移和聚集,形成金属团簇,进而引发不必要的副反应.另一方面,过分紧密的相互作用可能会限制金属活性位点的原子效率,从而降低反应活性.本文开发了一种简单通用的自分散策略,用于制备金属态单位点催化剂.该方法利用过渡金属活性中心镍在惰性载体(铝和镁)中的自分散行为,成功构筑了含有孤立过渡金属镍活性中心的全金属催化体系.X射线光电子能谱、低能离子散射和球差矫正扫描透射电子显微镜等表征结果证实了镍/铝催化剂中镍物种以金属态存在,且以孤立状态均匀分布于铝基载体的亚表层.在气固相乙炔选择加氢反应中,镍/铝和镍/镁催化剂表现出较好的催化性能,能够实现100%的乙炔转化率和高乙烯选择性.值得注意的是,镍/铝催化剂在碳碳三键选择加氢反应中的催化性能甚至超越了工业界广泛使用的林德拉催化剂.稳定性测试结果表明,镍/铝催化剂在长达90 h的连续反应中,能够维持稳定的乙炔转化率和乙烯选择性,没有明显的活性下降,进一步印证了其在工业应用中的潜在价值.结合动力学分析、原位红外光谱、氢-氘-乙炔脉冲响应实验以及理论计算等结果,详细阐释了镍/铝催化体系上乙炔选择加氢的反应机制.结果表明,氢气分子优先在镍/铝催化剂表面吸附并发生解离,生成氢原子,随后与乙炔分子逐步反应生成乙烯.在该过程中,氢气的解离活化是整个反应过程的决速步.此外,还进一步探讨了镍/铝催化体系对液相炔烃、炔醇选择加氢的性能,发现该催化剂可以在较为温和的条件下高效催化不同官能团修饰的炔烃、炔醇的选择加氢反应,同时保持高底物转化率和较好的烯烃、烯醇选择性,且表现出较好的循环稳定性.综上所述,本文发展了一种全金属单位点催化体系的通用构筑策略,不仅扩展了单位点金属催化体系的合成方法,同时利用全金属体系的本征优势,为化学转化反应过程提供了新的思路.上述发现为设计合成新型高效催化体系提供了重要的理论和实验依据,有望在精细化学品合成工业中得到应用.

关键词：单位点全金属催化剂选择加氢 Ni基催化剂自分散

HSH-C_(10):A new quasi-2D carbon allotrope with a honeycomb-star-honeycomb lattice

在线全文

学校读者我要写书评

暂无评论

Chinese Chemical Letters 2022年第8期33卷 3941-3946页

作者： Qian Gao Lifu Zhang Caiyan Zheng Shulai Lei Shujuan Li zhenpeng hu School of Physics Nankai UniversityTianjin 300071China hubei Key Laboratory of Low Dimensional Optoelectronic Materials and Devices Hubei University of Arts and ScienceXiangyang 441053China Institute of Mathematics Free University of BerlinArnimallee 6Berlin D-14195Germany

Two-dimensional(2 D)materials with honeycomb,kagome or star lattice have been intensively studied because electrons in such lattices could give rise to exotic quantum *** order to improve structural diversity of 2 D materials to achieve unique properties,here we propose a new quasi-2 D honeycombstar-honeycomb(HSH)lattice based on first-principles calculations.A carbon allotrope named HSH-C_(10) is designed with the HSH lattice,and its mechanical properties have been intensively investigated through total energy,phonon dispersion,ab initio molecular dynamic simulations,as well as elastic constants *** the classical covalent bonds,there is an interesting charge-shift bond in this material from the chemical bonding ***,through the analysis of electronic structure,HSH-C_(10) is predicted to be a semiconductor with a direct band gap of 2.89 e V,which could combine the desirable characteristics of honeycomb and star ***,by modulating coupling strength,a flat band near the Fermi level can be obtained in compounds HSH-C_(6)Si_(4) and HSH-C_(6)Ge_(4),which have potential applications in *** into such mixed lattice would inspire new materials with properties we have yet to imagine.

关键词： Carbon allotrope Two-dimensional lattice Charge-shift bond Flat band First-principles

A first-principles study on the electrochemical reaction activity of 3d transition metal single-atom catalysts in nitrogen-doped graphene: Trends and hints

在线全文

学校读者我要写书评

暂无评论

eScience 2022年第2期2卷 219-226页

作者： Caiyan Zheng Xu Zhang Zhen Zhou zhenpeng hu School of Physics Nankai UniversityTianjin300071China School of Materials Science and Engineering Institute of New Energy Material ChemistryKey Laboratory of Advanced Energy Materials Chemistry(Ministry of Education)Renewable Energy Conversion and Storage Center(ReCast)Nankai UniversityTianjin300350China

Electrochemical reactions are essential in the processes of energy storage and conversion,and performance is tightly dependent on the ***,we systematically investigate the activity of 3d transition metal embedded nitrogen-doped graphene(MN_(x)-G)for single-atom catalysts(SACs)in the oxygen reduction reaction(ORR),oxygen evolution reaction(OER),and hydrogen evolution reaction(HER).The calculated volcano curves reveal the optimal SAC configuration for each reaction to be CoN_(3)-G for the ORR,CoN_(4)-G for the OER,and Ni/CuN_(3)-G for the *** based on the machine learning method suggests that high catalytic performance is dominated by the number of valence electrons occupying the d orbitals,the covalent radius,the electronegativity,the ratio of nearest-neighbor N and C atoms for the metal atoms,and the bond length between metal atoms and *** work may shed some light on further studies of the ORR,OER,and HER with non-precious metal SACs.

关键词： Density functional theory Oxygen reduction reaction Oxygen evolution reaction Hydrogen evolution reaction Single-atom catalysts Machine learning

倾斜煤层煤层气与煤炭地下气化协调开发技术构想

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

煤炭科学技术 2024年第5期52卷 152-165页

作者：韦波杨曙光李鑫王双明师庆民杨兰和王刚傅雪海苏红梅贾超胡振鹏赵琛新疆维吾尔自治区煤田地质局一五六煤田地质勘探队新疆乌鲁木齐830047 新疆大学地质与矿业工程学院新疆乌鲁木齐830047 新疆亚新煤层气投资开发(集团)有限责任公司新疆乌鲁木齐830009 新疆维吾尔自治区煤田地质局煤层气研究开发中心新疆乌鲁木齐830091 西安科技大学地质与环境学院陕西西安710054 中国矿业大学资源与地球科学学院江苏徐州221000 新疆维吾尔自治区能源安全监测中心新疆乌鲁木齐830002

煤层气(CBM)开发与煤炭地下气化(UCG)是我国煤基天然气生产的重要来源,新疆前陆冲断带倾斜煤层发育区煤与煤层气资源丰富。为深入剖析倾斜煤层CBM与UCG协调开发可行性,系统剖析了现有CBM与UCG关键技术及其对CBM−UCG协调开发的借鉴意义,... 详细信息

煤层气(CBM)开发与煤炭地下气化(UCG)是我国煤基天然气生产的重要来源,新疆前陆冲断带倾斜煤层发育区煤与煤层气资源丰富。为深入剖析倾斜煤层CBM与UCG协调开发可行性,系统剖析了现有CBM与UCG关键技术及其对CBM−UCG协调开发的借鉴意义,分析了倾斜煤层CBM与UCG协调开发优势、技术路径、面临的主要问题和未来研究方向,得到以下认识:①“CBM开发疏干效应”“UCG热作用解吸效应”“UCG采动卸压效应”下CBM−UCG协调开发可形成相互促进的良性循环;②提出了直井+顺煤层倾向井“先抽后烧”、顺煤层倾向井组合“边抽边烧”、定向L型CBM井+顺煤层倾向UCG井“边烧边抽”、下部煤层布置沿倾向UCG井+上部煤层布置定向L型CBM井“先抽后烧再抽”、复杂井型“井工厂式”布置等协调开发技术路径;③CBM与UCG协调开发面临地质选区评价理论基础研究薄弱、缝网条件下UCG热作用扩展范围不清、倾斜煤层UCG过程岩层移动卸压范围不明等理论问题;同时面临CBM−UCG协调开发“井工厂式”钻井技术、CBM井与UCG井协调开发生产制度、CBM与UCG协调开发地质动态测控、CBM井密封性与耐高温性保护等工程问题;④要强化倾斜煤层CBM与UCG协调开发地质选址评价研究、开发动态理论研究、工程协调技术先导性试验研究,确保协调开发安全、有序、可控、高效。

关键词：煤层气煤炭地下气化倾斜煤层协调开发技术路径

Anisotropic black phosphorene nanotube anodes afford ultrafast kinetic rate or extra capacities for Li-ion batteries

在线全文

学校读者我要写书评

暂无评论

Chinese Chemical Letters 2022年第8期33卷 3842-3848页

作者： huili Wang Qian Gao Cheng Liu Yu Cao Shuo Liu Baoshan Zhang zhenpeng hu Jie Sun Key Laboratory for Green Chemical Technology of Ministry of Education School of Chemical Engineering and TechnologyTianjin UniversityTianjin 300072China School of Physics Nankai UniversityTianjin 300071China

As an important anode material for fast-charging Li-ion batteries(LIBs),black phosphorus(BP)has attracted extensive *** phosphorene nanotubes(BPNTs)can be theoretically produced by rolling up the black phosphorene nanosheet along armchair(a-BPNTs)and zigzag(z-BPNTs)*** effects of curvature,chirality,Li-storage concentrations and strain stress on the Li-storage performance such as Li diffusion barriers and mechanical stabilities of BPNTs are mainly investigated by first principles *** theoretical calculations predict that the a-BPNTs and z-BPNTs have good maximum Li-storage capacities,and the z-BPNTs exhibit better flexibility than *** mechanical stabilities and Li-migration are all related to the curvature of ***,both a-BPNTs and z-BPNTs exhibit fast Li-ion conductivity along the c-axis ***,the average Poisson's ratio of a-BPNTs(0.68)is larger than that of z-BPNTs(0.17),indicating that the strain stress is more difficult to apply on a-BPNTs than *** calculations predict that the a-BPNTs can afford ultrafast kinetic rate for fastcharging and high-power LIBs,while the z-BPNTs can provide extra capacity for high-energy LIBs.

关键词： Black phosphorene nanotubes Lithium-ion battery Anode materials Li-storage performance First principles calculations

Homogeneous-like Alkyne Selective Hydrogenation Catalyzed by Cationic Nickel Confined in Zeolite

在线全文

学校读者我要写书评

暂无评论

CCS Chemistry 2022年第3期4卷 949-962页

作者： Xin Deng Ruihao Bai Yuchao Chai zhenpeng hu Naijia Guan Landong Li School of Materials Science and Engineering&National Institute for Advanced Materials Nankai UniversityTianjin 300350 School of Physics Nankai UniversityTianjin 300071

The selective hydrogenation of alkynes to their corresponding alkenes is an important type of organic transformation,which is currently accomplished by modified palladium ***,we report that coordinatively unsaturated Ni(II)sites confined in faujasite zeolite,that is,Ni@Y,can efficiently catalyze the selective hydrogenation of various alkynes in both gas-and liquid *** and kinetic analyses explicitly reveal that alkyne hydrogenation over Ni@Y follows the homogeneous associative mechanism instead of the classic heterogeneous Horiuti–Polanyi *** functional theory calculations confirm that the preferential adsorption of alkynes on coordinatively unsaturated Ni(II)sites is crucial to initiate dihydrogen activation for the subsequent ***@Y represents a true heterogeneous catalyst acting as a homogeneous catalyst and shares the advantages of both heterogeneous and homogeneous *** findings may shed light on the rational design of robust catalysts and new catalytic routes by linking heterogeneous and homogeneous catalysis.

关键词： zeolites alkynes selective hydrogenation associative mechanism homogeneous-like