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中国化学工程学报:英文版 2023年第7期59卷 240-250页

作者： tingjun fu Ran Wang Kun Ren Liangliang Zhang Zhong Li State Key Laboratory of Clean and Efficient Coal Utilization College of Chemical Engineering and TechnologyTaiyuan University of TechnologyTaiyuan 030024China

Two-step conversion of methanol to aromatics via light hydrocarbons can significantly improve the conversion stability compared with direct aromatization of methanol,but it remains a challenge to achieve a high p-xylene(PX)selectivity.Herein,silica coating was firstly used to passivate external acid sites of ZSM-5 catalyst for the aromatization of light hydrocarbons by the chemical liquid deposition method.With the increase of SiO_(2) deposition,the density of the external acid sites of the catalyst was decreased from 0.1 to 0.03 mmol·g^(-1),which inhibited the surface secondary reactions and increased the PX/X from 34.6% to 60.0%.In view of the fact that the aromatization process in the second step was partly inhibited as methanol was consumed in advance in the upper methanol-to-light hydrocarbons catalyst layer,part of methanol was directly introduced into the lower aromatization catalyst layer to promote the alkylation process during the aromatization,which decreased the toluene selectivity from 34.5% to 14.3% but increased the xylene selectivity from 40.0%to 55.3%.It was also found that an appropriate external acid density was needed for aromatization catalyst to strengthen the alkylation process and improve the selectivity of xylene under the conditions of methanol introduction.

关键词： Methanol to aromatics Two-step conversion Para-xylene Zeolite Silica Catalysis

Fabrication of a nano-sized ZSM-5 zeolite with intercrystalline mesopores for conversion of methanol to gasoline

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Journal of Energy Chemistry 2017年第1期26卷 139-146页

作者： tingjun fu Jiangwei Chang Juan Shao Zhong Li Key Laboratory of Coal Science and Technology Ministry of Education and Shanxi ProvinceTaiyuan University of TechnologyTaiyuan 030024ShanxiChina

Carbon deposition during methanol to hydrocarbons leads to the quick deactivation of ZSM-5 catalyst and it is one of the major problems for this technology. Decreasing the crystal size or introducing mesopores into ZSM-5 zeolites can improve its diffusion property and decrease the coke formation. In this paper, nano-sized ZSM-5 zeolite with intercrystalline mesopores combining the mesoporous and nano sized structure was fabricated. For comparison, the mesoporous ZSM-5 and nano-sized ZSM-5 were also prepared. These catalyst samples were characterized by XRD, BET, NH3-TPD, TEM, Py-IR and TG techniques and used on the conversion of methanol to gasoline in a fixed-bed reactor at T=405 degrees C, WHSV =4.74 h(-1) and P=1.0 MPa. It was found that the external surface area of the nano-sized ZSM-5 zeolite with intercrystalline mesopores reached 104 m(2)/g, larger than that of mesoporous ZSM-5 (66 m(2)/g) and nano sized ZSM-5 (76 m(2)/g). Catalytic lifetime of the nano-sized ZSM-5 zeolite with intercrystalline mesopores was 93 h, which was only longer than that of mesoporous ZSM-5 (86 h), but shorter than that of nano sized ZSM-5 (104 h). Strong acidity promoted the coke formation and thus decreased the catalytic lifetime of the nano-sized ZSM-5 zeolite with intercrystalline mesopores though it presented large external surface that could improve the diffusion property. The special zeolite catalyst was further dealuminated to decrease the strong acidity. After this, its coke formation rate was slowed and catalytic lifetime was prolonged to 106 h because of the large external surface area and decreased weak acidity. This special structural zeolite is a potential catalyst for methanol to gasoline reaction. (C) 2016 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by Elsevier B.V. and Science Press. All rights reserved.

关键词： ZSM-5 Crystal size Mesopore Acidity Methanol to gasoline

A zirconium modified Co/SiO_2 Fischer-Tropsch catalyst prepared by dielectric-barrier discharge plasma

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Journal of Energy Chemistry 2013年第3期22卷 506-511页

作者： Yunhui Jiang tingjun fu Jing Lü Zhenhua Li Key Lab for Green Chemical Technology of Ministry of Education School of Chemical Engineering and TechnologyTianjin University

Co/SiO2 and zirconium promoted Co/Zr/SiO2 catalysts were prepared using dielectric-barrier discharge （DBD） plasma instead of the conventional thermal calcination method. Fischer-Tropseh Synthesis （FTS） performances of the catalyst were evaluated in a fixed bed reactor. The results indicated that the catalyst treated by DBD plasma shows the higher FTS activity and yield of heavy hydrocarbons as compared with that treated by the conventional thermal calcination method. Increase in CO conversion was unnoticeable on the Co/SiO2 catalyst, but significant on the Co/Zr/SiO2 catalyst, both prepared by DBD plasma. On the other hand, heavy hydrocarbon selectivity and chain growth probability （a value） were enhanced on all the catalysts prepared by the DBD plasma. In order to study the effect of the DBD plasma treatment on the FTS performance, the catalysts were characterized by N2-physisorption, H2-temperature programed reduction （H2-TPR）, H2-temperature- programmed desorption （H2-TPD） and oxygen titration, transmission electron microscope （TEM） and X-ray diffraction （XRD）. It was proved that, compared with the traditional calcination method, DBD plasma not only could shorten the precursor decomposition time, but also could achieve better cobalt dispersion, smaller Co304 cluster size and more uniform cobalt distribution. However, cobalt reducibility was hindered to some extent in the Co/SiO2 catalyst prepared by DBD plasma, while the zirconium additive prevented significantly the decrease in cobalt reducibility and increased cobalt dispersion as well as the FTS performance.

关键词： Fischer-Tropsch synthesis cobalt silica zirconium dielectric-barrier discharge plasma

纳米ZSM-5在高硅铝比料液中的再生长机制及其甲醇制芳烃性能

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化工进展 2022年第12期41卷 6364-6376页

作者：惠燕付廷俊马倩李忠太原理工大学省部共建煤基能源清洁高效利用国家重点实验室山西太原030024

芳烃选择性低是ZSM-5催化甲醇制芳烃反应的难点问题,调变ZSM-5酸性质是提升选择性的重要方法。本研究将SiO2/Al2O3为50的纳米ZSM-5分别置于硅铝比为50、110、220、440和660的料液中继续水热生长,优化其表面酸性,以提高轻质芳烃选择性。... 详细信息

芳烃选择性低是ZSM-5催化甲醇制芳烃反应的难点问题,调变ZSM-5酸性质是提升选择性的重要方法。本研究将SiO2/Al2O3为50的纳米ZSM-5分别置于硅铝比为50、110、220、440和660的料液中继续水热生长,优化其表面酸性,以提高轻质芳烃选择性。采用X射线衍射(XRD)、透射电子显微镜(TEM)、X射线荧光光谱(XRF)、吡啶红外(Py-IR)、氨气程序升温脱附(NH3-TPD)等手段分析所得ZSM-5形貌、织构和酸性质,研究其水热再生长规律。发现生长过程中原粉部分溶解,包围在其表面的料液先形成小晶粒,经逐步堆积完成对原粉的包覆,最终形成孔道贯通性良好的单晶。在较低硅铝比料液中样品粒径分布不均匀,然而随着料液硅铝比的增加,包覆趋向均匀且表面呈现凸起结构。二次生长显著改变了表面酸性质及芳构化性能,在硅铝比为220的料液中生长后总酸量增加到194.9μmol/g,高于原粉的169.7μmol/g。值得注意的是,催化剂表面的强酸占比由原粉的37%显著增加至53%,B/L值也由原粉的0.56增加至3.19。该酸性的变化在促进甲醇芳构化的同时,还能强化芳烃的脱烷基化而提高BTX选择性,使总芳烃选择性和BTX选择性分别由16.1%和8.2%提高到23.8%和13.5%。

关键词：沸石水热制备催化选择性甲醇制芳烃

Discovery of Novel Androgen Receptor Ligands by Structure-based Virtual Screening and Bioassays

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Genomics, Proteomics & Bioinformatics 2018年第6期16卷 416-427页

作者： Wenfang Zhou Mojie Duan Weitao fu Jinping Pang Qin Tang Huiyong Sun Lei Xu Shan Chang Dan Li tingjun Hou College of Pharmaceutical Sciences Zhejiang University State Key Laboratory of Computer Aided Design and Computer Graphics (CAD&GC) Zhejiang University State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics National Center for Magnetic Resonance in WuhanWuhan Institute of Physics and MathematicsChinese Academy of Sciences Institute of Bioinformatics and Medical Engineering School of Electrical and Information EngineeringJiangsu University of Technology

Androgen receptor(AR) is a ligand-activated transcription factor that plays a pivotal role in the development and progression of many severe diseases such as prostate cancer, muscle atrophy, and osteoporosis. Binding of ligands to AR triggers the conformational changes in AR that may affect the recruitment of coactivators and downstream response of AR signaling pathway.Therefore, AR ligands have great potential to treat these diseases. In this study, we searched for novel AR ligands by performing a docking-based virtual screening(VS) on the basis of the crystal structure of the AR ligand binding domain(LBD) in complex with its agonist. A total of 58 structurally diverse compounds were selected and subjected to LBD affinity assay, with five of them(HBP1-3, HBP1-17, HBP1-38, HBP1-51, and HBP1-58) exhibiting strong binding to AR-LBD. The IC50 values of HBP1-51 and HBP1-58 are 3.96 m M and 4.92 m M, respectively, which are even lower than that of enzalutamide(Enz, IC50= 13.87 m M), a marketed second-generation AR antagonist. further bioactivity assays suggest that HBP1-51 is an AR agonist, whereas HBP1-58 is an AR antagonist. In addition, molecular dynamics(MD) simulations and principal components analysis(PCA) were carried out to reveal the binding principle of the newlyidentified AR ligands toward AR. Our modeling results indicate that the conformational changes of helix 12 induced by the bindings of antagonist and agonist are visibly different. In summary,the current study provides a highly efficient way to discover novel AR ligands, which could serve as the starting point for development of new therapeutics for AR-related diseases.

关键词： Androgen receptor AR ligand Virtual screening AR agonist AR antagonist

干凝胶蒸汽辅助晶化构筑包覆结构ZSM-5及其甲醇制芳烃性能

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太原理工大学学报 2023年第3期54卷 410-417页

作者：付廷俊马倩惠燕李忠太原理工大学省部共建煤基能源清洁高效利用国家重点实验室太原030024

煤基甲醇经催化转化制苯、甲苯和二甲苯是煤炭高效清洁转化的重要技术。由于其反应步骤复杂,单一结构催化剂上难以调控反应过程,实现高的芳烃选择性。采用干凝胶蒸汽辅助晶化方法将硅铝比(Si/Al)约为50的ZSM-5原粉放入硅铝比为220的干... 详细信息

煤基甲醇经催化转化制苯、甲苯和二甲苯是煤炭高效清洁转化的重要技术。由于其反应步骤复杂,单一结构催化剂上难以调控反应过程,实现高的芳烃选择性。采用干凝胶蒸汽辅助晶化方法将硅铝比(Si/Al)约为50的ZSM-5原粉放入硅铝比为220的干凝胶中进行晶化制备包覆结构ZSM-5,以催化耦合甲醇制烯烃和烯烃芳构化两步反应,提升芳烃选择性。考察不同硅包覆比对甲醇制芳烃性能的影响发现,硅包覆比小于0.5时,凝胶中硅铝物种可于原粉表面成功包覆。外部的高硅铝比包覆结构促进了甲醇到低碳烯烃的转化,进而强化了甲醇分步芳构化过程,总芳烃选择性可从原粉的12.9%增加至14.5%,轻质芳烃在芳烃中的选择性也由原粉的61.8%增加至66.5%.当硅包覆比继续增加到2,部分硅铝物种在原粉外围独立成核形成小晶粒ZSM-5.虽然芳烃选择性增加到15.2%,但小晶粒也促进了芳烃的烷基化,使C9+芳烃选择性增加,抑制了轻质芳烃的形成。

关键词：甲醇芳烃干凝胶蒸汽辅助转化包覆型ZSM-5 芳烃选择性

“人民自由”何以可能--从消极自由理论说起

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北京行政学院学报 2022年第1期 22-31页

作者：吕廷君中共北京市委党校(北京行政学院)教务处北京100044

贡斯当的“古代人的自由与现代人的自由”是近现代西方消极自由理论的重要基础;伯林的“消极自由与积极自由”以个人自由为出发点,落脚到制约国家权力的宪法制度设计上;德沃金和罗尔斯的自由理论返回法的形而下,试图寻找国家权力在个人... 详细信息

贡斯当的“古代人的自由与现代人的自由”是近现代西方消极自由理论的重要基础;伯林的“消极自由与积极自由”以个人自由为出发点,落脚到制约国家权力的宪法制度设计上;德沃金和罗尔斯的自由理论返回法的形而下,试图寻找国家权力在个人自由实现中发挥积极作用的可行路径;中国传统自由观强调权力与自由的关系,以严复为代表的近现代自由话语开始触及自由的主体性、平等性等法治要素。中国共产党从人民立场出发的自由理论及其实践表明,“人民自由”吸收借鉴经验自由主义和理性自由主义合理因素,吸取中国传统自由观优秀基因,整合自由与平等、自由与公正、自由与法治的关系,形成了个人自由与国家权力同生共在、相互促进、共同发展的有序格局。

关键词：现代人的自由消极自由积极自由人民自由

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双碳模式下碳一化工技术发展趋势

洁净煤技术 2022年第1期28卷 1-11页

作者：李忠张鹏孟凡会付廷俊范辉太原理工大学省部共建煤基能源清洁高效利用国家重点实验室山西太原030024 中国化学赛鼎工程有限公司技术中心山西太原030032

以CO催化加氢、催化羰基化和甲醇催化脱水等反应为核心的碳一化工技术,是煤气化为基础的现代煤化工产业的关键技术,近10 a来工业化应用取得重大成功,已经成为煤炭清洁高效利用的主要途径。但煤炭既是原料,又是转化过程热能和动力能的转... 详细信息

以CO催化加氢、催化羰基化和甲醇催化脱水等反应为核心的碳一化工技术,是煤气化为基础的现代煤化工产业的关键技术,近10 a来工业化应用取得重大成功,已经成为煤炭清洁高效利用的主要途径。但煤炭既是原料,又是转化过程热能和动力能的转化燃料,使得现代煤化工产业的碳排放量大又集中,具有局部强排放特征。从原料低碳化,转化热能和动力清洁化,热催化工艺和催化剂创新,反应产物高选择以及CO_(2)光电催化转化技术等方面入手,探讨了在碳达峰、碳中和双碳模式下,碳一化工技术的发展趋势和前景。随着清洁新能源大规模低成本“绿氢”制备技术的发展,也将促使逆水汽变换或电催化CO_(2)还原为“绿CO”大规模应用,将使碳一化工合成气原料发生巨大变化,由目前高碳的化石能源进行的CO水汽变换制氢的过程,向清洁新能源“绿氢”的CO_(2)逆水汽变换制备“绿CO”过渡,即碳一化工原料合成气的变化将由化石能源制备的合成气“CO+H_(2)”,向低碳排放“CO+绿H_(2)”或负碳排放的“绿CO+绿H_(2)”发展,以实现“碳达峰、碳中和”目标。采用近零碳排放的光电和风电等可再生清洁能源取代碳一化工过程中现有的燃煤锅炉,以及通过优化设计,采用新型节能减排措施和行业间的技术耦合,降低能源消耗等,也是减排CO_(2)实现“碳达峰碳中和”的有效措施。

关键词：双碳模式碳一化工合成气转化甲醇转化碳排放

计算机辅助药物设计技术在雄激素受体动态机制探讨和药物发现中的研究进展

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药学进展 2023年第8期47卷 564-577页

作者：富炜涛柯迪李丹侯廷军江苏威凯尔医药科技有限公司创新药研发中心江苏南京211800 浙江大学药学院浙江杭州310058 浙江大学金华研究院浙江金华321000

雄激素受体(androgen receptor,AR)是男性前列腺癌的重要治疗靶标之一。计算机辅助药物设计(computer-aided drug design,CADD)技术在药物结合机制和新药开发中发挥日益重要的作用。利用计算机构建AR及其配体的复合物体系,研究动态机制... 详细信息

雄激素受体(androgen receptor,AR)是男性前列腺癌的重要治疗靶标之一。计算机辅助药物设计(computer-aided drug design,CADD)技术在药物结合机制和新药开发中发挥日益重要的作用。利用计算机构建AR及其配体的复合物体系,研究动态机制,有助于为靶向AR的药物提供重要设计思路。综述了CADD技术在AR动态机制探讨和药物发现中的研究进展。

关键词：雄激素受体计算机辅助药物设计动态机制药物发现

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纺织机械阅读臂零件感应淬火工艺的优化论证

铸造技术 2017年第7期38卷 1597-1601页

作者：潘毅傅伟王庭俊扬州工业职业技术学院机械与汽车工程学院江苏扬州225127

阅读零件为NP5400电子多臂开口装置中的核心零部件,基于阅读臂零件失效原因的基础上,对现有感应淬火工艺进行优化论证;并通过金相分析、硬度测试、残余应力测试等手段,论证了优化工艺阅读臂零件性能的优越性,这一结论也通过ANSYS仿真结... 详细信息

阅读零件为NP5400电子多臂开口装置中的核心零部件,基于阅读臂零件失效原因的基础上,对现有感应淬火工艺进行优化论证;并通过金相分析、硬度测试、残余应力测试等手段,论证了优化工艺阅读臂零件性能的优越性,这一结论也通过ANSYS仿真结果得到了证实。

关键词：阅读臂感应淬火金相分析 ANSYS